| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 28.5 | Very low | 52.4 | Low | 228 Ų | 228 | 116.4 Ų | 116.4 | 100% | 1.123 | 68% | 0.684 | S | S | * | * | 0 | 131.5 | 0 | -70.7 | -173.5 | -172.6 | 0 | 0 | 108.9 | |||||
| 2 | P | 26.2 | Very low | 55.5 | Low | 119 Ų | 119 | 108.9 Ų | 108.9 | 77% | 0.773 | 64% | 0.639 | S | S | * | * | trans | -63.5 | 149.4 | 168.2 | -6.7 | 21.3 | 0 | 0 | 0 | 109.8 | V4 | P2-V4 PolarHBondContact O-N 2.96Š| ||
| 3 | A | 34.7 | Very low | 58.2 | Low | 98 Ų | 98 | 105.2 Ų | 105.2 | 81% | 0.81 | 63% | 0.628 | S | S | * | * | trans | -58.5 | 115.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K5 | A3-K5 PolarHBondContact O-N 3.4Š| ||
| 4 | V | 37.9 | Very low | 60.7 | Low | 114 Ų | 114 | 102.7 Ų | 102.7 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | trans | -60.4 | 107.7 | 177.1 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | P2 G6 | P2-V4 PolarHBondContact O-N 2.96Å; V4-G6 PolarHBondContact O-N 3.46Å | ||
| 5 | K | 36 | Very low | 63 | Low | 215 Ų | 215 | 95.9 Ų | 95.9 | 94% | 0.935 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 99.4 | 172.9 | -77.3 | -178.6 | 175.1 | 179 | 0 | 108 | A3 | A3-K5 PolarHBondContact O-N 3.4Š|
| 6 | G | 44 | Very low | 64.9 | Low | 80 Ų | 80 | 92.3 Ų | 92.3 | 83% | 0.825 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 143.1 | -20.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | V4 | V4-G6 PolarHBondContact O-N 3.46Š|
| 7 | D | 52.2 | Low | 66.6 | Low | 94 Ų | 94 | 90.2 Ų | 90.2 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | trans | -118.4 | 18.3 | -169 | -149 | 11.1 | 0 | 0 | 0 | 113.9 | M9 | D7-M9 PolarHBondContact O-N 3.12Š| ||
| 8 | G | 64.1 | Low | 68.2 | Low | 59 Ų | 59 | 88.2 Ų | 88.2 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | trans | -67.8 | 130.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R10 | G8-R10 PolarHBondContact O-N 3.05Š| ||
| 9 | M | 81.3 | Confident | 69.7 | Low | 40 Ų | 40 | 84.2 Ų | 84.2 | 20% | 0.197 | 50% | 0.502 | C | S | . | . | trans | -68.5 | 74.8 | 171.1 | -70.8 | -179.2 | -112.4 | 0 | 0 | 110.7 | D7 G11 L12 A13 K55 K56 C59 | D7-M9 PolarHBondContact O-N 3.12Å; M9-G11 PolarHBondContact O-N 3.12Å; M9-L12 HydrophobicContact CB-CB 3.89Å; M9-L12 WeakPolarHBondContact O-CA 3.46Å; M9-L12 WeakPolarHBondContact O-CB 3.43Å; M9-L12 PolarHBondContact O-N 3.3Å; M9-L12 HydrophobicContact SD-CD2 4.36Å; M9-A13 PolarHBondContact O-N 3.47Å; M9-A13 VanDerWaalsContact O-N 3.13Å; M9-K55 HydrophobicContact CE-CD 4.14Å; M9-K55 HydrophobicContact CE-CG 4.17Å; M9-K55 HydrophobicContact SD-CG 4.42Å; M9-K56 HydrophobicContact CB-CG 4.36Å; M9-K56 HydrophobicContact CG-CB 4.36Å; M9-K56 HydrophobicContact CG-CG 4.37Å; M9-K56 VanDerWaalsContact SD-CA 3.54Å; M9-K56 HydrophobicContact SD-CB 4.03Å; M9-K56 HydrophobicContact SD-CG 4.33Å; M9-C59 HydrophobicContact SD-CB 4.24Å | ||
| 10 | R | 84.9 | Confident | 70.9 | Confident | 205 Ų | 205 | 90.1 Ų | 90.1 | 77% | 0.774 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -49.3 | -40.3 | -177.1 | -175.1 | 178.8 | 177.7 | -176 | -0 | 112.3 | G8 L12 A13 V14 | G8-R10 PolarHBondContact O-N 3.05Å; R10-L12 VanDerWaalsContact C-N 3.32Å; R10-L12 PolarHBondContact O-N 3.48Å; R10-A13 PolarHBondContact O-N 3.16Å; R10-V14 HydrophobicContact CG-CG2 4.35Å; R10-V14 VanDerWaalsContact O-CG2 3.32Å; R10-V14 WeakPolarHBondContact O-CG2 3.38Å; R10-V14 PolarHBondContact O-N 2.9Å |
| 11 | G | 86.1 | Confident | 72 | Confident | 28 Ų | 28 | 91.2 Ų | 91.2 | 29% | 0.289 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -29.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | M9 F15 K60 | M9-G11 PolarHBondContact O-N 3.12Å; G11-F15 PolarHBondContact O-N 3.31Å; G11-K60 WeakPolarHBondContact O-CE 3.48Å; G11-K60 PolarHBondContact O-NZ 2.88Å |
| 12 | L | 89.7 | Confident | 75.1 | Confident | 27 Ų | 27 | 82 Ų | 82 | 14% | 0.141 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -75.2 | -45.4 | 172.1 | 175.3 | 65.4 | 0 | 0 | 0 | 110.5 | M9 R10 V14 F15 I16 C59 K60 | M9-L12 HydrophobicContact CB-CB 3.89Å; M9-L12 WeakPolarHBondContact O-CA 3.46Å; M9-L12 WeakPolarHBondContact O-CB 3.43Å; M9-L12 PolarHBondContact O-N 3.3Å; M9-L12 HydrophobicContact SD-CD2 4.36Å; R10-L12 VanDerWaalsContact C-N 3.32Å; R10-L12 PolarHBondContact O-N 3.48Å; L12-V14 VanDerWaalsContact C-N 3.33Å; L12-V14 PolarHBondContact O-N 3.35Å; L12-F15 PolarHBondContact O-N 2.94Å; L12-F15 VanDerWaalsContact O-N 3.12Å; L12-I16 HydrophobicContact CD1-CD1 4.05Å; L12-I16 HydrophobicContact CD1-CG1 4.22Å; L12-I16 HydrophobicContact CG-CD1 3.9Å; L12-I16 HydrophobicContact CG-CG1 4.44Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 2.76Å; L12-C59 HydrophobicContact CD1-CB 4.38Å; L12-C59 HydrophobicContact CD2-CB 3.72Å; L12-K60 HydrophobicContact CD1-CB 4.38Å; L12-K60 HydrophobicContact CD1-CG 3.67Å |
| 13 | A | 90.9 | Very high | 78.3 | Confident | 60 Ų | 60 | 86.6 Ų | 86.6 | 50% | 0.496 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M9 R10 I16 S17 | M9-A13 PolarHBondContact O-N 3.47Å; M9-A13 VanDerWaalsContact O-N 3.13Å; R10-A13 PolarHBondContact O-N 3.16Å; A13-I16 PolarHBondContact O-N 2.83Å; A13-S17 WeakPolarHBondContact O-CB 3.29Å; A13-S17 PolarHBondContact O-N 3.44Å |
| 14 | V | 93.3 | Very high | 81.1 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 43% | 0.43 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.2 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | R10 L12 I16 S17 D18 | R10-V14 HydrophobicContact CG-CG2 4.35Å; R10-V14 VanDerWaalsContact O-CG2 3.32Å; R10-V14 WeakPolarHBondContact O-CG2 3.38Å; R10-V14 PolarHBondContact O-N 2.9Å; L12-V14 VanDerWaalsContact C-N 3.33Å; L12-V14 PolarHBondContact O-N 3.35Å; V14-I16 PolarHBondContact O-N 2.85Å; V14-S17 WeakPolarHBondContact O-CB 3.41Å; V14-S17 PolarHBondContact O-N 3.03Å; V14-D18 VanDerWaalsContact O-CG 3.24Å; V14-D18 PolarHBondContact O-N 3.5Å |
| 15 | F | 94.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 178.4 | 176.6 | -118.7 | 0 | 0 | 0 | 112.7 | G11 L12 S17 D18 I19 R31 I32 E35 K60 F63 I64 | G11-F15 PolarHBondContact O-N 3.31Å; L12-F15 PolarHBondContact O-N 2.94Å; L12-F15 VanDerWaalsContact O-N 3.12Å; F15-S17 VanDerWaalsContact C-N 3.29Å; F15-S17 PolarHBondContact O-N 2.87Å; F15-D18 PolarHBondContact O-N 3.37Å; F15-I19 HydrophobicContact CD2-CG1 4.25Å; F15-I19 HydrophobicContact CE1-CG1 4.4Å; F15-I19 HydrophobicContact CE2-CD1 3.84Å; F15-I19 HydrophobicContact CE2-CG1 3.81Å; F15-I19 HydrophobicContact CZ-CD1 4.05Å; F15-I19 HydrophobicContact CZ-CG1 3.9Å; F15-I19 WeakPolarHBondContact O-CG1 3.17Å; F15-I19 PolarHBondContact O-N 3.22Å; F15-R31 HydrophobicContact CE2-CG 4.39Å; F15-I32 HydrophobicContact CZ-CG1 4.38Å; F15-E35 HydrophobicContact CD2-CB 4.12Å; F15-E35 HydrophobicContact CD2-CG 3.83Å; F15-E35 HydrophobicContact CE1-CG 4.35Å; F15-E35 HydrophobicContact CE2-CB 3.55Å; F15-E35 HydrophobicContact CE2-CG 3.66Å; F15-E35 HydrophobicContact CG-CG 4.25Å; F15-E35 HydrophobicContact CZ-CB 3.96Å; F15-E35 HydrophobicContact CZ-CG 3.95Å; F15-K60 HydrophobicContact CB-CD 4.49Å; F15-K60 HydrophobicContact CD1-CB 4.42Å; F15-K60 HydrophobicContact CD1-CD 4.34Å; F15-K60 HydrophobicContact CD1-CG 4.19Å; F15-K60 HydrophobicContact CG-CD 4.49Å; F15-F63 HydrophobicContact CD1-CD1 4.12Å; F15-F63 AromaticContact CE1-CD1 3.8Å; F15-F63 HydrophobicContact CE1-CD1 3.8Å; F15-F63 HydrophobicContact CE1-CE1 4.36Å; F15-I64 HydrophobicContact CE1-CD1 3.91Å; F15-I64 HydrophobicContact CE1-CG1 3.65Å; F15-I64 HydrophobicContact CZ-CD1 3.76Å; F15-I64 HydrophobicContact CZ-CG1 3.68Å |
| 16 | I | 93.9 | Very high | 86.4 | Confident | 39 Ų | 39 | 84.5 Ų | 84.5 | 20% | 0.2 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 175.3 | -65.8 | 171.4 | 0 | 0 | 0 | 110.6 | L12 A13 V14 I19 R20 F63 | L12-I16 HydrophobicContact CD1-CD1 4.05Å; L12-I16 HydrophobicContact CD1-CG1 4.22Å; L12-I16 HydrophobicContact CG-CD1 3.9Å; L12-I16 HydrophobicContact CG-CG1 4.44Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 2.76Å; A13-I16 PolarHBondContact O-N 2.83Å; V14-I16 PolarHBondContact O-N 2.85Å; I16-I19 PolarHBondContact O-N 2.89Å; I16-R20 WeakPolarHBondContact O-CG 3.35Å; I16-R20 PolarHBondContact O-N 3.26Å; I16-F63 HydrophobicContact CB-CE1 4.39Å; I16-F63 HydrophobicContact CB-CZ 4.22Å; I16-F63 HydrophobicContact CD1-CD2 4.18Å; I16-F63 HydrophobicContact CD1-CE2 4.24Å; I16-F63 HydrophobicContact CG1-CD1 3.99Å; I16-F63 HydrophobicContact CG1-CD2 4.05Å; I16-F63 HydrophobicContact CG1-CE1 3.82Å; I16-F63 HydrophobicContact CG1-CE2 3.9Å; I16-F63 HydrophobicContact CG1-CG 4.1Å; I16-F63 HydrophobicContact CG1-CZ 3.79Å; I16-F63 HydrophobicContact CG2-CE2 4.25Å; I16-F63 HydrophobicContact CG2-CZ 3.94Å |
| 17 | S | 94.5 | Very high | 88.8 | Confident | 56 Ų | 56 | 82.6 Ų | 82.6 | 39% | 0.392 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.8 | -169 | 0 | 0 | 0 | 0 | 112.2 | A13 V14 F15 I19 R20 N21 | A13-S17 WeakPolarHBondContact O-CB 3.29Å; A13-S17 PolarHBondContact O-N 3.44Å; V14-S17 WeakPolarHBondContact O-CB 3.41Å; V14-S17 PolarHBondContact O-N 3.03Å; F15-S17 VanDerWaalsContact C-N 3.29Å; F15-S17 PolarHBondContact O-N 2.87Å; S17-I19 VanDerWaalsContact C-N 3.34Å; S17-I19 PolarHBondContact O-N 3.37Å; S17-R20 PolarHBondContact O-N 2.91Å; S17-N21 WeakPolarHBondContact O-CB 3.15Å; S17-N21 PolarHBondContact O-N 3.38Å; S17-N21 PolarHBondContact O-ND2 2.69Å; S17-N21 VanDerWaalsContact O-ND2 3.16Å; S17-N21 PolarHBondContact OG-ND2 3.4Å |
| 18 | D | 95.6 | Very high | 90.8 | Very high | 55 Ų | 55 | 80.3 Ų | 80.3 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 178.1 | -68 | -15.4 | 0 | 0 | 0 | 111.1 | V14 F15 N21 C22 R31 | V14-D18 VanDerWaalsContact O-CG 3.24Å; V14-D18 PolarHBondContact O-N 3.5Å; F15-D18 PolarHBondContact O-N 3.37Å; D18-N21 PolarHBondContact O-N 2.93Å; D18-C22 PolarHBondContact O-N 3.34Å; D18-C22 PolarHBondContact O-SG 3.42Å; D18-R31 HydrophobicContact CB-CG 4.23Å; D18-R31 IonicContact OD2-CZ 2.8Å; D18-R31 VanDerWaalsContact OD2-CZ 3.3Å; D18-R31 IonicContact OD2-NE 2.66Å; D18-R31 PolarHBondContact OD2-NE 3.47Å; D18-R31 IonicContact OD2-NH2 2.55Å; D18-R31 PolarHBondContact OD2-NH2 2.95Å |
| 19 | I | 95.3 | Very high | 92.3 | Very high | 12 Ų | 12 | 80.6 Ų | 80.6 | 6% | 0.062 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.8 | -47 | 177.7 | -64.5 | -61 | 0 | 0 | 0 | 110.7 | F15 I16 S17 N21 C22 E28 R31 I32 F63 L67 | F15-I19 HydrophobicContact CD2-CG1 4.25Å; F15-I19 HydrophobicContact CE1-CG1 4.4Å; F15-I19 HydrophobicContact CE2-CD1 3.84Å; F15-I19 HydrophobicContact CE2-CG1 3.81Å; F15-I19 HydrophobicContact CZ-CD1 4.05Å; F15-I19 HydrophobicContact CZ-CG1 3.9Å; F15-I19 WeakPolarHBondContact O-CG1 3.17Å; F15-I19 PolarHBondContact O-N 3.22Å; I16-I19 PolarHBondContact O-N 2.89Å; S17-I19 VanDerWaalsContact C-N 3.34Å; S17-I19 PolarHBondContact O-N 3.37Å; I19-N21 PolarHBondContact O-N 3.43Å; I19-C22 VanDerWaalsContact O-CB 3.31Å; I19-C22 WeakPolarHBondContact O-CB 3.34Å; I19-C22 PolarHBondContact O-N 2.96Å; I19-C22 VanDerWaalsContact O-N 3.07Å; I19-E28 HydrophobicContact CD1-CG 4.29Å; I19-E28 HydrophobicContact CG2-CG 4.21Å; I19-R31 HydrophobicContact CD1-CB 4.06Å; I19-R31 HydrophobicContact CD1-CG 3.76Å; I19-I32 HydrophobicContact CD1-CD1 4.17Å; I19-I32 HydrophobicContact CD1-CG1 3.53Å; I19-F63 HydrophobicContact CB-CE1 4.43Å; I19-F63 HydrophobicContact CG1-CE1 4.35Å; I19-L67 HydrophobicContact CG2-CD1 3.91Å |
| 20 | R | 93.4 | Very high | 92.9 | Very high | 201 Ų | 201 | 86.4 Ų | 86.4 | 76% | 0.758 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.7 | -27.1 | 176.6 | -73.1 | 178.2 | 177.1 | -175.5 | -1.2 | 113.6 | I16 S17 | I16-R20 WeakPolarHBondContact O-CG 3.35Å; I16-R20 PolarHBondContact O-N 3.26Å; S17-R20 PolarHBondContact O-N 2.91Å |
| 21 | N | 94.9 | Very high | 93.5 | Very high | 115 Ų | 115 | 79.1 Ų | 79.1 | 62% | 0.615 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1.8 | 178.5 | -70 | -23.5 | 0 | 0 | 0 | 113.4 | S17 D18 I19 K23 | S17-N21 WeakPolarHBondContact O-CB 3.15Å; S17-N21 PolarHBondContact O-N 3.38Å; S17-N21 PolarHBondContact O-ND2 2.69Å; S17-N21 VanDerWaalsContact O-ND2 3.16Å; S17-N21 PolarHBondContact OG-ND2 3.4Å; D18-N21 PolarHBondContact O-N 2.93Å; I19-N21 PolarHBondContact O-N 3.43Å; N21-K23 PolarHBondContact O-N 3.01Å |
| 22 | C | 94 | Very high | 94 | Very high | 35 Ų | 35 | 77.8 Ų | 77.8 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | trans | -68.7 | 126.1 | 176 | -71.2 | 0 | 0 | 0 | 0 | 110.3 | D18 I19 A27 E28 | D18-C22 PolarHBondContact O-N 3.34Å; D18-C22 PolarHBondContact O-SG 3.42Å; I19-C22 VanDerWaalsContact O-CB 3.31Å; I19-C22 WeakPolarHBondContact O-CB 3.34Å; I19-C22 PolarHBondContact O-N 2.96Å; I19-C22 VanDerWaalsContact O-N 3.07Å; C22-A27 HydrophobicContact CB-CB 4.25Å; C22-E28 HydrophobicContact CB-CB 4.06Å | ||
| 23 | K | 92.8 | Very high | 94.3 | Very high | 214 Ų | 214 | 80.9 Ų | 80.9 | 93% | 0.93 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -84.6 | -12.3 | -178.7 | -62.8 | -173.3 | 179.4 | -177 | 0 | 114 | N21 | N21-K23 PolarHBondContact O-N 3.01Š|
| 24 | S | 93.6 | Very high | 94.6 | Very high | 49 Ų | 49 | 85.3 Ų | 85.3 | 34% | 0.343 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -144.9 | 160.1 | 178.4 | 86.7 | 0 | 0 | 0 | 0 | 111.4 | E26 A27 E28 | S24-E26 VanDerWaalsContact C-N 3.32Å; S24-E26 VanDerWaalsContact CB-OE2 3.28Å; S24-E26 WeakPolarHBondContact CB-OE2 3.24Å; S24-E26 PolarHBondContact O-N 2.98Å; S24-E26 PolarHBondContact OG-N 3.31Å; S24-E26 PolarHBondContact OG-OE2 3.01Å; S24-A27 WeakPolarHBondContact O-CB 3.3Å; S24-A27 PolarHBondContact O-N 3.48Å; S24-A27 PolarHBondContact OG-N 3.2Å; S24-E28 PolarHBondContact O-N 3.28Å; S24-E28 VanDerWaalsContact O-N 3.08Å |
| 25 | R | 91.6 | Very high | 94.7 | Very high | 195 Ų | 195 | 82.4 Ų | 82.4 | 74% | 0.736 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.9 | -35.5 | 176 | -169.2 | 176.2 | -176.4 | 178 | 1 | 112 | A27 E28 I29 | R25-A27 VanDerWaalsContact C-N 3.34Å; R25-E28 PolarHBondContact O-N 3.38Å; R25-I29 HydrophobicContact CG-CD1 4.05Å; R25-I29 VanDerWaalsContact O-CG1 3.29Å; R25-I29 WeakPolarHBondContact O-CG1 3.24Å; R25-I29 PolarHBondContact O-N 3.34Å |
| 26 | E | 93.7 | Very high | 94.8 | Very high | 139 Ų | 139 | 82.9 Ų | 82.9 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.9 | -38.6 | 175.1 | -53.4 | 86.3 | -174.3 | 0 | 0 | 111.7 | S24 E28 I29 K30 | S24-E26 VanDerWaalsContact C-N 3.32Å; S24-E26 VanDerWaalsContact CB-OE2 3.28Å; S24-E26 WeakPolarHBondContact CB-OE2 3.24Å; S24-E26 PolarHBondContact O-N 2.98Å; S24-E26 PolarHBondContact OG-N 3.31Å; S24-E26 PolarHBondContact OG-OE2 3.01Å; E26-E28 VanDerWaalsContact C-N 3.35Å; E26-I29 PolarHBondContact O-N 2.92Å; E26-K30 VanDerWaalsContact O-CB 3.27Å; E26-K30 WeakPolarHBondContact O-CB 2.88Å; E26-K30 PolarHBondContact O-N 2.99Å |
| 27 | A | 93.7 | Very high | 94.9 | Very high | 40 Ų | 40 | 83.8 Ų | 83.8 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C22 S24 R25 K30 R31 | C22-A27 HydrophobicContact CB-CB 4.25Å; S24-A27 WeakPolarHBondContact O-CB 3.3Å; S24-A27 PolarHBondContact O-N 3.48Å; S24-A27 PolarHBondContact OG-N 3.2Å; R25-A27 VanDerWaalsContact C-N 3.34Å; A27-K30 PolarHBondContact O-N 3.31Å; A27-R31 WeakPolarHBondContact O-CB 3.36Å; A27-R31 PolarHBondContact O-N 2.99Å |
| 28 | E | 94.3 | Very high | 94.9 | Very high | 47 Ų | 47 | 84.1 Ų | 84.1 | 22% | 0.22 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.7 | -54 | 173.4 | 178.1 | 177 | -173.5 | 0 | 0 | 111.4 | I19 C22 S24 R25 E26 K30 R31 I32 | I19-E28 HydrophobicContact CD1-CG 4.29Å; I19-E28 HydrophobicContact CG2-CG 4.21Å; C22-E28 HydrophobicContact CB-CB 4.06Å; S24-E28 PolarHBondContact O-N 3.28Å; S24-E28 VanDerWaalsContact O-N 3.08Å; R25-E28 PolarHBondContact O-N 3.38Å; E26-E28 VanDerWaalsContact C-N 3.35Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 3.36Å; E28-R31 PolarHBondContact O-N 3.43Å; E28-I32 HydrophobicContact CG-CD1 3.79Å; E28-I32 HydrophobicContact CG-CG1 4.45Å; E28-I32 WeakPolarHBondContact O-CG1 3.37Å; E28-I32 PolarHBondContact O-N 3.07Å |
| 29 | I | 95.3 | Very high | 94.9 | Very high | 64 Ų | 64 | 81.5 Ų | 81.5 | 33% | 0.328 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.6 | -44.4 | 178.6 | -69.7 | 166.3 | 0 | 0 | 0 | 110.8 | R25 E26 R31 I32 N33 | R25-I29 HydrophobicContact CG-CD1 4.05Å; R25-I29 VanDerWaalsContact O-CG1 3.29Å; R25-I29 WeakPolarHBondContact O-CG1 3.24Å; R25-I29 PolarHBondContact O-N 3.34Å; E26-I29 PolarHBondContact O-N 2.92Å; I29-R31 VanDerWaalsContact C-N 3.35Å; I29-R31 PolarHBondContact O-N 3.42Å; I29-I32 PolarHBondContact O-N 2.83Å; I29-N33 WeakPolarHBondContact O-CB 3.38Å; I29-N33 VanDerWaalsContact O-CG 3.27Å; I29-N33 PolarHBondContact O-N 2.92Å; I29-N33 PolarHBondContact O-ND2 3.38Å |
| 30 | K | 95.7 | Very high | 94.8 | Very high | 163 Ų | 163 | 84.8 Ų | 84.8 | 71% | 0.709 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 177.7 | -173.1 | 176.3 | -178.1 | 176.4 | 0 | 111.7 | E26 A27 E28 K34 | E26-K30 VanDerWaalsContact O-CB 3.27Å; E26-K30 WeakPolarHBondContact O-CB 2.88Å; E26-K30 PolarHBondContact O-N 2.99Å; A27-K30 PolarHBondContact O-N 3.31Å; E28-K30 VanDerWaalsContact C-N 3.29Å; E28-K30 PolarHBondContact O-N 3.36Å; K30-K34 WeakPolarHBondContact O-CB 3.26Å; K30-K34 PolarHBondContact O-N 3.34Å; K30-K34 VanDerWaalsContact O-N 3.09Å |
| 31 | R | 96.6 | Very high | 94.8 | Very high | 52 Ų | 52 | 79 Ų | 79 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 178 | -179.4 | 62.9 | -171 | 88.8 | -3.9 | 112 | F15 D18 I19 A27 E28 I29 E35 | F15-R31 HydrophobicContact CE2-CG 4.39Å; D18-R31 HydrophobicContact CB-CG 4.23Å; D18-R31 IonicContact OD2-CZ 2.8Å; D18-R31 VanDerWaalsContact OD2-CZ 3.3Å; D18-R31 IonicContact OD2-NE 2.66Å; D18-R31 PolarHBondContact OD2-NE 3.47Å; D18-R31 IonicContact OD2-NH2 2.55Å; D18-R31 PolarHBondContact OD2-NH2 2.95Å; I19-R31 HydrophobicContact CD1-CB 4.06Å; I19-R31 HydrophobicContact CD1-CG 3.76Å; A27-R31 WeakPolarHBondContact O-CB 3.36Å; A27-R31 PolarHBondContact O-N 2.99Å; E28-R31 PolarHBondContact O-N 3.43Å; I29-R31 VanDerWaalsContact C-N 3.35Å; I29-R31 PolarHBondContact O-N 3.42Å; R31-E35 IonicContact CZ-OE2 2.82Å; R31-E35 IonicContact NH1-OE2 2.8Å; R31-E35 PolarHBondContact NH1-OE2 2.97Å; R31-E35 IonicContact NH2-OE2 3.92Å; R31-E35 PolarHBondContact NH2-OE2 3.45Å; R31-E35 PolarHBondContact O-N 2.82Å; R31-E35 VanDerWaalsContact O-N 3.1Å |
| 32 | I | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.8 | -50.5 | 175.5 | -70.6 | 174.9 | 0 | 0 | 0 | 110.2 | F15 I19 E28 I29 K34 E35 L36 I64 L67 H69 | F15-I32 HydrophobicContact CZ-CG1 4.38Å; I19-I32 HydrophobicContact CD1-CD1 4.17Å; I19-I32 HydrophobicContact CD1-CG1 3.53Å; E28-I32 HydrophobicContact CG-CD1 3.79Å; E28-I32 HydrophobicContact CG-CG1 4.45Å; E28-I32 WeakPolarHBondContact O-CG1 3.37Å; E28-I32 PolarHBondContact O-N 3.07Å; I29-I32 PolarHBondContact O-N 2.83Å; I32-K34 VanDerWaalsContact C-N 3.27Å; I32-K34 PolarHBondContact O-N 3.21Å; I32-E35 CarbonylContact O-C 3.58Å; I32-E35 WeakPolarHBondContact O-CA 3.38Å; I32-E35 WeakPolarHBondContact O-CB 3.4Å; I32-E35 PolarHBondContact O-N 3.09Å; I32-L36 HydrophobicContact CG2-CD1 3.86Å; I32-L36 HydrophobicContact CG2-CG 4.14Å; I32-L36 WeakPolarHBondContact O-CG 3.3Å; I32-L36 PolarHBondContact O-N 2.73Å; I32-I64 HydrophobicContact CG2-CD1 4.35Å; I32-I64 HydrophobicContact CG2-CG1 4.37Å; I32-I64 HydrophobicContact CG2-CG2 3.76Å; I32-L67 HydrophobicContact CD1-CD1 4.22Å; I32-H69 VanDerWaalsContact CD1-CD2 3.41Å; I32-H69 WeakPolarHBondContact CD1-CD2 3.46Å; I32-H69 WeakPolarHBondContact CD1-NE2 3.46Å |
| 33 | N | 95.7 | Very high | 94.7 | Very high | 91 Ų | 91 | 77.8 Ų | 77.8 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.2 | -40.2 | 178.7 | -74.8 | -20.4 | 0 | 0 | 0 | 112.2 | I29 L36 A37 | I29-N33 WeakPolarHBondContact O-CB 3.38Å; I29-N33 VanDerWaalsContact O-CG 3.27Å; I29-N33 PolarHBondContact O-N 2.92Å; I29-N33 PolarHBondContact O-ND2 3.38Å; N33-L36 PolarHBondContact O-N 3.41Å; N33-A37 WeakPolarHBondContact O-CB 3.48Å; N33-A37 PolarHBondContact O-N 3.07Å |
| 34 | K | 96.6 | Very high | 94.4 | Very high | 154 Ų | 154 | 76.1 Ų | 76.1 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 173.5 | -173.5 | 178.3 | -179.3 | 179.6 | 0 | 112.1 | K30 I32 N38 | K30-K34 WeakPolarHBondContact O-CB 3.26Å; K30-K34 PolarHBondContact O-N 3.34Å; K30-K34 VanDerWaalsContact O-N 3.09Å; I32-K34 VanDerWaalsContact C-N 3.27Å; I32-K34 PolarHBondContact O-N 3.21Å; K34-N38 PolarHBondContact O-N 3.49Å; K34-N38 VanDerWaalsContact O-N 3.12Å |
| 35 | E | 96.7 | Very high | 93.8 | Very high | 9 Ų | 9 | 75.6 Ų | 75.6 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.9 | -44.2 | 177.2 | -162.3 | 65.1 | -145.4 | 0 | 0 | 111.6 | F15 R31 I32 A37 N38 I39 K60 | F15-E35 HydrophobicContact CD2-CB 4.12Å; F15-E35 HydrophobicContact CD2-CG 3.83Å; F15-E35 HydrophobicContact CE1-CG 4.35Å; F15-E35 HydrophobicContact CE2-CB 3.55Å; F15-E35 HydrophobicContact CE2-CG 3.66Å; F15-E35 HydrophobicContact CG-CG 4.25Å; F15-E35 HydrophobicContact CZ-CB 3.96Å; F15-E35 HydrophobicContact CZ-CG 3.95Å; R31-E35 IonicContact CZ-OE2 2.82Å; R31-E35 IonicContact NH1-OE2 2.8Å; R31-E35 PolarHBondContact NH1-OE2 2.97Å; R31-E35 IonicContact NH2-OE2 3.92Å; R31-E35 PolarHBondContact NH2-OE2 3.45Å; R31-E35 PolarHBondContact O-N 2.82Å; R31-E35 VanDerWaalsContact O-N 3.1Å; I32-E35 CarbonylContact O-C 3.58Å; I32-E35 WeakPolarHBondContact O-CA 3.38Å; I32-E35 WeakPolarHBondContact O-CB 3.4Å; I32-E35 PolarHBondContact O-N 3.09Å; E35-A37 VanDerWaalsContact C-N 3.32Å; E35-A37 PolarHBondContact O-N 3.32Å; E35-N38 WeakPolarHBondContact O-CB 3.47Å; E35-N38 PolarHBondContact O-N 3.13Å; E35-N38 VanDerWaalsContact O-N 3.16Å; E35-N38 PolarHBondContact OE1-ND2 3.48Å; E35-I39 HydrophobicContact CG-CD1 3.95Å; E35-I39 HydrophobicContact CG-CG1 4.4Å; E35-I39 VanDerWaalsContact O-CG1 3.26Å; E35-I39 WeakPolarHBondContact O-CG1 3.23Å; E35-I39 PolarHBondContact O-N 3.02Å; E35-K60 VanDerWaalsContact CD-NZ 3.33Å; E35-K60 HydrophobicContact CG-CD 4.06Å; E35-K60 VanDerWaalsContact OE1-CD 3.29Å; E35-K60 WeakPolarHBondContact OE1-CD 3.43Å; E35-K60 IonicContact OE1-NZ 3.79Å; E35-K60 PolarHBondContact OE1-NZ 3.17Å; E35-K60 IonicContact OE2-NZ 3.68Å |
| 36 | L | 96.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 74.5 Ų | 74.5 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 176.1 | -69.1 | 175.7 | 0 | 0 | 0 | 110.9 | I32 N33 N38 I39 R40 L61 I64 I71 F73 | I32-L36 HydrophobicContact CG2-CD1 3.86Å; I32-L36 HydrophobicContact CG2-CG 4.14Å; I32-L36 WeakPolarHBondContact O-CG 3.3Å; I32-L36 PolarHBondContact O-N 2.73Å; N33-L36 PolarHBondContact O-N 3.41Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-N38 PolarHBondContact O-N 3.16Å; L36-I39 PolarHBondContact O-N 3.13Å; L36-R40 WeakPolarHBondContact O-CG 3.4Å; L36-R40 PolarHBondContact O-N 3.49Å; L36-L61 HydrophobicContact CD2-CD2 3.68Å; L36-I64 HydrophobicContact CD2-CD1 3.69Å; L36-I64 HydrophobicContact CD2-CG2 4.37Å; L36-I64 HydrophobicContact CG-CD1 4.14Å; L36-I71 HydrophobicContact CD2-CD1 3.84Å; L36-F73 HydrophobicContact CB-CE1 4.48Å; L36-F73 HydrophobicContact CD2-CE1 4.01Å; L36-F73 HydrophobicContact CD2-CZ 4.22Å |
| 37 | A | 95.4 | Very high | 92.2 | Very high | 58 Ų | 58 | 76.8 Ų | 76.8 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N33 E35 R40 S41 | N33-A37 WeakPolarHBondContact O-CB 3.48Å; N33-A37 PolarHBondContact O-N 3.07Å; E35-A37 VanDerWaalsContact C-N 3.32Å; E35-A37 PolarHBondContact O-N 3.32Å; A37-R40 PolarHBondContact O-N 3.05Å; A37-S41 WeakPolarHBondContact O-CB 3.39Å; A37-S41 PolarHBondContact O-N 3.22Å |
| 38 | N | 94.8 | Very high | 91.4 | Very high | 63 Ų | 63 | 79.9 Ų | 79.9 | 34% | 0.337 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 175 | 175.7 | 49.2 | 0 | 0 | 0 | 111.7 | K34 E35 L36 S41 K42 | K34-N38 PolarHBondContact O-N 3.49Å; K34-N38 VanDerWaalsContact O-N 3.12Å; E35-N38 WeakPolarHBondContact O-CB 3.47Å; E35-N38 PolarHBondContact O-N 3.13Å; E35-N38 VanDerWaalsContact O-N 3.16Å; E35-N38 PolarHBondContact OE1-ND2 3.48Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-N38 PolarHBondContact O-N 3.16Å; N38-S41 PolarHBondContact O-N 3.08Å; N38-K42 WeakPolarHBondContact O-CG 3.3Å; N38-K42 PolarHBondContact O-N 3.06Å |
| 39 | I | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 179.6 | -59.7 | 165.7 | 0 | 0 | 0 | 110.6 | E35 L36 S41 K42 F43 Y57 K60 L61 F73 | E35-I39 HydrophobicContact CG-CD1 3.95Å; E35-I39 HydrophobicContact CG-CG1 4.4Å; E35-I39 VanDerWaalsContact O-CG1 3.26Å; E35-I39 WeakPolarHBondContact O-CG1 3.23Å; E35-I39 PolarHBondContact O-N 3.02Å; L36-I39 PolarHBondContact O-N 3.13Å; I39-S41 VanDerWaalsContact C-N 3.32Å; I39-S41 PolarHBondContact O-N 3.03Å; I39-K42 PolarHBondContact O-N 3.09Å; I39-K42 VanDerWaalsContact O-N 3.12Å; I39-F43 HydrophobicContact CG2-CD1 4.34Å; I39-F43 HydrophobicContact CG2-CD2 3.96Å; I39-F43 HydrophobicContact CG2-CE1 4.07Å; I39-F43 HydrophobicContact CG2-CE2 3.64Å; I39-F43 HydrophobicContact CG2-CG 4.31Å; I39-F43 HydrophobicContact CG2-CZ 3.71Å; I39-F43 PolarHBondContact O-N 3.47Å; I39-Y57 HydrophobicContact CG1-CD1 3.81Å; I39-Y57 HydrophobicContact CG1-CE1 4.45Å; I39-Y57 HydrophobicContact CG2-CD1 4.38Å; I39-Y57 HydrophobicContact CG2-CG 4.29Å; I39-K60 HydrophobicContact CD1-CB 3.79Å; I39-K60 HydrophobicContact CD1-CD 4.25Å; I39-L61 HydrophobicContact CD1-CD2 3.78Å; I39-L61 HydrophobicContact CD1-CG 4.16Å; I39-L61 HydrophobicContact CG2-CD1 4.24Å; I39-L61 HydrophobicContact CG2-CD2 4.22Å; I39-L61 HydrophobicContact CG2-CG 4.26Å; I39-F73 HydrophobicContact CB-CE2 4.16Å; I39-F73 HydrophobicContact CB-CZ 4.14Å; I39-F73 HydrophobicContact CG2-CE2 3.82Å; I39-F73 HydrophobicContact CG2-CZ 4.2Å |
| 40 | R | 94.2 | Very high | 90.9 | Very high | 82 Ų | 82 | 81 Ų | 81 | 31% | 0.309 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -55.5 | -46.8 | 174.5 | -73.1 | -175.6 | -135.3 | -102.9 | -0 | 111.6 | L36 A37 K42 F43 K44 D72 F73 | L36-R40 WeakPolarHBondContact O-CG 3.4Å; L36-R40 PolarHBondContact O-N 3.49Å; A37-R40 PolarHBondContact O-N 3.05Å; R40-K42 VanDerWaalsContact C-N 3.3Å; R40-K42 PolarHBondContact O-N 3.36Å; R40-F43 PolarHBondContact O-N 3.28Å; R40-K44 WeakPolarHBondContact O-CB 3.46Å; R40-K44 WeakPolarHBondContact O-CG 3.38Å; R40-K44 PolarHBondContact O-N 3.03Å; R40-D72 IonicContact CZ-OD1 2.74Å; R40-D72 IonicContact CZ-OD2 3.03Å; R40-D72 VanDerWaalsContact NH1-CG 3.25Å; R40-D72 IonicContact NH1-OD1 3.69Å; R40-D72 PolarHBondContact NH1-OD1 3.01Å; R40-D72 IonicContact NH1-OD2 3.72Å; R40-D72 PolarHBondContact NH1-OD2 3.4Å; R40-D72 IonicContact NH2-OD1 3.27Å; R40-D72 PolarHBondContact NH2-OD1 3.33Å; R40-F73 HydrophobicContact CB-CE2 4.1Å; R40-F73 HydrophobicContact CB-CZ 4.25Å; R40-F73 HydrophobicContact CG-CD1 3.81Å; R40-F73 HydrophobicContact CG-CD2 3.74Å; R40-F73 HydrophobicContact CG-CE1 3.46Å; R40-F73 VanDerWaalsContact CG-CE1 3.46Å; R40-F73 HydrophobicContact CG-CE2 3.37Å; R40-F73 HydrophobicContact CG-CG 3.96Å; R40-F73 HydrophobicContact CG-CZ 3.24Å; R40-F73 VanDerWaalsContact NH1-CD1 3.28Å |
| 41 | S | 93.5 | Very high | 90.6 | Very high | 79 Ų | 79 | 74.1 Ų | 74.1 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.7 | -38.7 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | A37 N38 I39 G45 | A37-S41 WeakPolarHBondContact O-CB 3.39Å; A37-S41 PolarHBondContact O-N 3.22Å; N38-S41 PolarHBondContact O-N 3.08Å; I39-S41 VanDerWaalsContact C-N 3.32Å; I39-S41 PolarHBondContact O-N 3.03Å; S41-G45 PolarHBondContact O-N 3.39Å |
| 42 | K | 92.4 | Very high | 90.3 | Very high | 98 Ų | 98 | 74.9 Ų | 74.9 | 43% | 0.426 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 176.5 | -67 | -63.9 | 179.3 | -167.7 | 0 | 111.8 | N38 I39 R40 K44 G45 I49 Y57 | N38-K42 WeakPolarHBondContact O-CG 3.3Å; N38-K42 PolarHBondContact O-N 3.06Å; I39-K42 PolarHBondContact O-N 3.09Å; I39-K42 VanDerWaalsContact O-N 3.12Å; R40-K42 VanDerWaalsContact C-N 3.3Å; R40-K42 PolarHBondContact O-N 3.36Å; K42-K44 VanDerWaalsContact C-N 3.34Å; K42-K44 PolarHBondContact O-N 3.36Å; K42-G45 PolarHBondContact O-N 2.91Å; K42-I49 HydrophobicContact CB-CD1 4.37Å; K42-I49 VanDerWaalsContact O-CD1 3.24Å; K42-I49 WeakPolarHBondContact O-CD1 3.47Å; K42-Y57 HydrophobicContact CB-CD2 4.46Å; K42-Y57 HydrophobicContact CB-CE2 4.01Å; K42-Y57 HydrophobicContact CG-CE1 4.45Å; K42-Y57 HydrophobicContact CG-CE2 4.05Å |
| 43 | F | 92.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 77.7 Ų | 77.7 | 12% | 0.118 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.7 | -31.5 | -179.8 | -71 | -3.3 | 0 | 0 | 0 | 113.5 | I39 R40 I49 Y57 V58 L61 F73 E77 | I39-F43 HydrophobicContact CG2-CD1 4.34Å; I39-F43 HydrophobicContact CG2-CD2 3.96Å; I39-F43 HydrophobicContact CG2-CE1 4.07Å; I39-F43 HydrophobicContact CG2-CE2 3.64Å; I39-F43 HydrophobicContact CG2-CG 4.31Å; I39-F43 HydrophobicContact CG2-CZ 3.71Å; I39-F43 PolarHBondContact O-N 3.47Å; R40-F43 PolarHBondContact O-N 3.28Å; F43-I49 HydrophobicContact CD1-CD1 3.59Å; F43-I49 HydrophobicContact CE1-CD1 4.17Å; F43-Y57 VanDerWaalsContact CE1-CB 3.5Å; F43-Y57 AromaticContact CE1-CD2 3.98Å; F43-Y57 HydrophobicContact CE1-CD2 3.98Å; F43-Y57 HydrophobicContact CE1-CG 4.06Å; F43-V58 HydrophobicContact CZ-CG2 4.37Å; F43-L61 HydrophobicContact CE2-CD1 3.75Å; F43-L61 HydrophobicContact CZ-CD1 4.37Å; F43-F73 AromaticContact CD2-CD2 3.94Å; F43-F73 HydrophobicContact CD2-CD2 3.94Å; F43-F73 AromaticContact CD2-CE2 3.97Å; F43-F73 HydrophobicContact CD2-CE2 3.97Å; F43-F73 HydrophobicContact CE2-CE2 4.36Å; F43-E77 HydrophobicContact CD1-CG 4.02Å; F43-E77 HydrophobicContact CD2-CB 4.44Å; F43-E77 HydrophobicContact CD2-CG 3.75Å; F43-E77 HydrophobicContact CE1-CB 4.47Å; F43-E77 HydrophobicContact CE1-CG 4.05Å; F43-E77 HydrophobicContact CE2-CB 4.01Å; F43-E77 HydrophobicContact CE2-CG 3.81Å; F43-E77 HydrophobicContact CG-CG 3.87Å; F43-E77 HydrophobicContact CZ-CB 4.01Å; F43-E77 HydrophobicContact CZ-CG 3.95Å |
| 44 | K | 88.1 | Confident | 90 | Very high | 178 Ų | 178 | 75.3 Ų | 75.3 | 77% | 0.774 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -10.5 | 175.4 | -70.8 | -173.4 | 177 | -171.3 | 0 | 115 | R40 K42 | R40-K44 WeakPolarHBondContact O-CB 3.46Å; R40-K44 WeakPolarHBondContact O-CG 3.38Å; R40-K44 PolarHBondContact O-N 3.03Å; K42-K44 VanDerWaalsContact C-N 3.34Å; K42-K44 PolarHBondContact O-N 3.36Å |
| 45 | G | 80 | Confident | 89.9 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 40% | 0.402 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -70.4 | 146.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S41 K42 K47 | S41-G45 PolarHBondContact O-N 3.39Å; K42-G45 PolarHBondContact O-N 2.91Å; G45-K47 PolarHBondContact O-N 2.95Å; G45-K47 VanDerWaalsContact O-N 3.11Å |
| 46 | D | 72.8 | Confident | 89.8 | Confident | 172 Ų | 172 | 69.3 Ų | 69.3 | 92% | 0.92 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -63.3 | -18.6 | -179.4 | -58.8 | -36 | 0 | 0 | 0 | 113.9 | A48 | D46-A48 PolarHBondContact O-N 3.36Š|
| 47 | K | 78.3 | Confident | 89.7 | Confident | 186 Ų | 186 | 69.8 Ų | 69.8 | 81% | 0.809 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -80.1 | 117.4 | 177.6 | -66.5 | -171.3 | -179.8 | -174.5 | 0 | 110.1 | G45 I49 | G45-K47 PolarHBondContact O-N 2.95Å; G45-K47 VanDerWaalsContact O-N 3.11Å; K47-I49 PolarHBondContact O-N 3.35Å; K47-I49 VanDerWaalsContact O-N 3.11Å |
| 48 | A | 78.3 | Confident | 89.7 | Confident | 106 Ų | 106 | 67 Ų | 67 | 88% | 0.876 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 118.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D46 | D46-A48 PolarHBondContact O-N 3.36Š|
| 49 | I | 87.7 | Confident | 89.7 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 23% | 0.226 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 126.1 | 178.2 | -53.6 | 177.2 | 0 | 0 | 0 | 108.6 | K42 F43 K47 Q53 K54 | K42-I49 HydrophobicContact CB-CD1 4.37Å; K42-I49 VanDerWaalsContact O-CD1 3.24Å; K42-I49 WeakPolarHBondContact O-CD1 3.47Å; F43-I49 HydrophobicContact CD1-CD1 3.59Å; F43-I49 HydrophobicContact CE1-CD1 4.17Å; K47-I49 PolarHBondContact O-N 3.35Å; K47-I49 VanDerWaalsContact O-N 3.11Å; I49-Q53 HydrophobicContact CG2-CB 3.34Å; I49-Q53 HydrophobicContact CG2-CG 4.45Å; I49-K54 HydrophobicContact CG2-CB 4.18Å |
| 50 | D | 90 | Very high | 89.7 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 162.8 | 173.9 | 72.6 | 32.7 | 0 | 0 | 0 | 112.4 | Y52 Q53 K54 | D50-Y52 PolarHBondContact O-N 2.6Å; D50-Y52 WeakPolarHBondContact OD1-CB 3.25Å; D50-Y52 PolarHBondContact OD1-N 3.25Å; D50-Q53 PolarHBondContact O-N 3.29Å; D50-Q53 WeakPolarHBondContact OD1-CB 3.33Å; D50-Q53 VanDerWaalsContact OD1-CG 3.3Å; D50-Q53 WeakPolarHBondContact OD1-CG 3.14Å; D50-Q53 PolarHBondContact OD1-N 2.78Å; D50-K54 WeakPolarHBondContact O-CB 3.32Å; D50-K54 PolarHBondContact O-N 2.8Å |
| 51 | G | 89.6 | Confident | 89.8 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.9 | -32.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K55 E89 | G51-K55 VanDerWaalsContact O-CB 3.25Å; G51-K55 WeakPolarHBondContact O-CB 3.17Å; G51-K55 PolarHBondContact O-N 3.18Å; G51-E89 VanDerWaalsContact C-OE1 3.3Å; G51-E89 WeakPolarHBondContact CA-OE1 3.21Å |
| 52 | Y | 91.2 | Very high | 89.8 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.3 | -47.7 | -179.4 | 174.7 | -88.9 | 0 | 0 | 0 | 112.1 | D50 K54 K55 K56 E89 | D50-Y52 PolarHBondContact O-N 2.6Å; D50-Y52 WeakPolarHBondContact OD1-CB 3.25Å; D50-Y52 PolarHBondContact OD1-N 3.25Å; Y52-K54 VanDerWaalsContact C-N 3.34Å; Y52-K55 WeakPolarHBondContact O-CB 3.4Å; Y52-K55 PolarHBondContact O-N 3.12Å; Y52-K56 WeakPolarHBondContact O-CB 3.2Å; Y52-K56 PolarHBondContact O-N 3.45Å; Y52-E89 PolarHBondContact N-OE1 3.25Å |
| 53 | Q | 92.1 | Very high | 89.9 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 177.7 | -67.3 | -59.8 | -34.5 | 0 | 0 | 110.3 | I49 D50 K56 Y57 | I49-Q53 HydrophobicContact CG2-CB 3.34Å; I49-Q53 HydrophobicContact CG2-CG 4.45Å; D50-Q53 PolarHBondContact O-N 3.29Å; D50-Q53 WeakPolarHBondContact OD1-CB 3.33Å; D50-Q53 VanDerWaalsContact OD1-CG 3.3Å; D50-Q53 WeakPolarHBondContact OD1-CG 3.14Å; D50-Q53 PolarHBondContact OD1-N 2.78Å; Q53-K56 WeakPolarHBondContact O-CB 3.39Å; Q53-K56 PolarHBondContact O-N 3.46Å; Q53-K56 VanDerWaalsContact OE1-CE 3.25Å; Q53-Y57 HydrophobicContact CB-CE2 4.24Å; Q53-Y57 WeakPolarHBondContact O-CD2 3.44Å; Q53-Y57 PolarHBondContact O-N 2.91Å |
| 54 | K | 94 | Very high | 90 | Very high | 41 Ų | 41 | 54.2 Ų | 54.2 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -51.2 | 175 | -169.3 | -179.5 | -61.6 | 178.1 | 0 | 111.1 | I49 D50 Y52 K56 Y57 V58 E77 N80 L81 | I49-K54 HydrophobicContact CG2-CB 4.18Å; D50-K54 WeakPolarHBondContact O-CB 3.32Å; D50-K54 PolarHBondContact O-N 2.8Å; Y52-K54 VanDerWaalsContact C-N 3.34Å; K54-K56 VanDerWaalsContact C-N 3.32Å; K54-K56 PolarHBondContact O-N 3.19Å; K54-Y57 PolarHBondContact O-N 3.37Å; K54-V58 WeakPolarHBondContact O-CG2 3.4Å; K54-V58 PolarHBondContact O-N 3.32Å; K54-E77 HydrophobicContact CD-CB 4.19Å; K54-E77 WeakPolarHBondContact CD-O 3.45Å; K54-E77 HydrophobicContact CG-CB 4Å; K54-N80 HydrophobicContact CD-CB 4.33Å; K54-L81 HydrophobicContact CB-CD2 4.07Å; K54-L81 HydrophobicContact CD-CD2 3.87Å; K54-L81 HydrophobicContact CD-CG 3.93Å; K54-L81 HydrophobicContact CG-CD1 4.4Å; K54-L81 HydrophobicContact CG-CD2 3.96Å; K54-L81 HydrophobicContact CG-CG 4.06Å |
| 55 | K | 94.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -50.8 | -49.4 | 172.1 | 178.8 | -176.5 | 68.8 | 177.4 | 0 | 111.8 | M9 G51 Y52 Y57 V58 C59 L81 T88 E89 I92 | M9-K55 HydrophobicContact CE-CD 4.14Å; M9-K55 HydrophobicContact CE-CG 4.17Å; M9-K55 HydrophobicContact SD-CG 4.42Å; G51-K55 VanDerWaalsContact O-CB 3.25Å; G51-K55 WeakPolarHBondContact O-CB 3.17Å; G51-K55 PolarHBondContact O-N 3.18Å; Y52-K55 WeakPolarHBondContact O-CB 3.4Å; Y52-K55 PolarHBondContact O-N 3.12Å; K55-Y57 PolarHBondContact O-N 3.05Å; K55-V58 PolarHBondContact O-N 3.48Å; K55-C59 PolarHBondContact O-N 3.36Å; K55-C59 PolarHBondContact O-SG 3.28Å; K55-C59 VanDerWaalsContact O-SG 3.33Å; K55-L81 HydrophobicContact CB-CD2 4.42Å; K55-T88 WeakPolarHBondContact CD-O 3.34Å; K55-T88 PolarHBondContact NZ-OG1 3.21Å; K55-T88 VanDerWaalsContact NZ-OG1 3.1Å; K55-E89 HydrophobicContact CB-CG 4.36Å; K55-E89 HydrophobicContact CD-CG 4.26Å; K55-I92 HydrophobicContact CD-CG1 4.11Å; K55-I92 HydrophobicContact CG-CB 4Å; K55-I92 HydrophobicContact CG-CG1 3.75Å; K55-I92 HydrophobicContact CG-CG2 4.18Å |
| 56 | K | 94.2 | Very high | 90.8 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -45.9 | -179.8 | -177.5 | -168.8 | 72.4 | -178.2 | 0 | 112.5 | M9 Y52 Q53 K54 K60 | M9-K56 HydrophobicContact CB-CG 4.36Å; M9-K56 HydrophobicContact CG-CB 4.36Å; M9-K56 HydrophobicContact CG-CG 4.37Å; M9-K56 VanDerWaalsContact SD-CA 3.54Å; M9-K56 HydrophobicContact SD-CB 4.03Å; M9-K56 HydrophobicContact SD-CG 4.33Å; Y52-K56 WeakPolarHBondContact O-CB 3.2Å; Y52-K56 PolarHBondContact O-N 3.45Å; Q53-K56 WeakPolarHBondContact O-CB 3.39Å; Q53-K56 PolarHBondContact O-N 3.46Å; Q53-K56 VanDerWaalsContact OE1-CE 3.25Å; K54-K56 VanDerWaalsContact C-N 3.32Å; K54-K56 PolarHBondContact O-N 3.19Å; K56-K60 PolarHBondContact O-N 2.96Å |
| 57 | Y | 95.2 | Very high | 91.7 | Very high | 19 Ų | 19 | 45.7 Ų | 45.7 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.5 | -39.3 | -178.8 | -69.5 | -52.4 | 0 | 0 | 0 | 112.5 | I39 K42 F43 Q53 K54 K55 C59 K60 L61 | I39-Y57 HydrophobicContact CG1-CD1 3.81Å; I39-Y57 HydrophobicContact CG1-CE1 4.45Å; I39-Y57 HydrophobicContact CG2-CD1 4.38Å; I39-Y57 HydrophobicContact CG2-CG 4.29Å; K42-Y57 HydrophobicContact CB-CD2 4.46Å; K42-Y57 HydrophobicContact CB-CE2 4.01Å; K42-Y57 HydrophobicContact CG-CE1 4.45Å; K42-Y57 HydrophobicContact CG-CE2 4.05Å; F43-Y57 VanDerWaalsContact CE1-CB 3.5Å; F43-Y57 AromaticContact CE1-CD2 3.98Å; F43-Y57 HydrophobicContact CE1-CD2 3.98Å; F43-Y57 HydrophobicContact CE1-CG 4.06Å; Q53-Y57 HydrophobicContact CB-CE2 4.24Å; Q53-Y57 WeakPolarHBondContact O-CD2 3.44Å; Q53-Y57 PolarHBondContact O-N 2.91Å; K54-Y57 PolarHBondContact O-N 3.37Å; K55-Y57 PolarHBondContact O-N 3.05Å; Y57-C59 VanDerWaalsContact C-N 3.33Å; Y57-C59 PolarHBondContact O-N 2.9Å; Y57-K60 WeakPolarHBondContact O-CB 3.4Å; Y57-K60 PolarHBondContact O-N 2.75Å; Y57-K60 VanDerWaalsContact O-N 3.08Å; Y57-L61 PolarHBondContact O-N 3.42Å |
| 58 | V | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 172.8 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | F43 K54 K55 K60 L61 L62 E77 A78 L81 I92 F96 | F43-V58 HydrophobicContact CZ-CG2 4.37Å; K54-V58 WeakPolarHBondContact O-CG2 3.4Å; K54-V58 PolarHBondContact O-N 3.32Å; K55-V58 PolarHBondContact O-N 3.48Å; V58-K60 VanDerWaalsContact C-N 3.3Å; V58-K60 PolarHBondContact O-N 3.19Å; V58-L61 PolarHBondContact O-N 2.77Å; V58-L62 PolarHBondContact O-N 2.65Å; V58-E77 HydrophobicContact CG2-CB 4.22Å; V58-A78 HydrophobicContact CG1-CB 4.05Å; V58-A78 HydrophobicContact CG2-CB 4.39Å; V58-L81 HydrophobicContact CB-CD1 4.1Å; V58-L81 HydrophobicContact CG1-CD1 4.29Å; V58-L81 HydrophobicContact CG2-CD1 3.88Å; V58-I92 HydrophobicContact CB-CG2 4.18Å; V58-I92 HydrophobicContact CG1-CG2 3.77Å; V58-F96 HydrophobicContact CG1-CB 3.78Å; V58-F96 HydrophobicContact CG1-CD2 3.47Å; V58-F96 VanDerWaalsContact CG1-CD2 3.47Å; V58-F96 HydrophobicContact CG1-CE2 4.2Å; V58-F96 HydrophobicContact CG1-CG 3.69Å |
| 59 | C | 95.5 | Very high | 92.9 | Very high | 12 Ų | 12 | 37 Ų | 37 | 8% | 0.081 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -36.4 | 173.3 | -72.4 | 0 | 0 | 0 | 0 | 113.4 | M9 L12 K55 Y57 L62 F63 I92 | M9-C59 HydrophobicContact SD-CB 4.24Å; L12-C59 HydrophobicContact CD1-CB 4.38Å; L12-C59 HydrophobicContact CD2-CB 3.72Å; K55-C59 PolarHBondContact O-N 3.36Å; K55-C59 PolarHBondContact O-SG 3.28Å; K55-C59 VanDerWaalsContact O-SG 3.33Å; Y57-C59 VanDerWaalsContact C-N 3.33Å; Y57-C59 PolarHBondContact O-N 2.9Å; C59-L62 PolarHBondContact O-N 2.95Å; C59-F63 WeakPolarHBondContact O-CB 3.44Å; C59-F63 PolarHBondContact O-N 3.25Å; C59-I92 VanDerWaalsContact SG-CD1 3.54Å; C59-I92 VanDerWaalsContact SG-CG2 3.55Å |
| 60 | K | 95.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 6% | 0.057 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.6 | -43.4 | 175.6 | -71 | -171.3 | -179.5 | -153.1 | 0 | 111.3 | G11 L12 F15 E35 I39 K56 Y57 V58 L62 F63 I64 | G11-K60 WeakPolarHBondContact O-CE 3.48Å; G11-K60 PolarHBondContact O-NZ 2.88Å; L12-K60 HydrophobicContact CD1-CB 4.38Å; L12-K60 HydrophobicContact CD1-CG 3.67Å; F15-K60 HydrophobicContact CB-CD 4.49Å; F15-K60 HydrophobicContact CD1-CB 4.42Å; F15-K60 HydrophobicContact CD1-CD 4.34Å; F15-K60 HydrophobicContact CD1-CG 4.19Å; F15-K60 HydrophobicContact CG-CD 4.49Å; E35-K60 VanDerWaalsContact CD-NZ 3.33Å; E35-K60 HydrophobicContact CG-CD 4.06Å; E35-K60 VanDerWaalsContact OE1-CD 3.29Å; E35-K60 WeakPolarHBondContact OE1-CD 3.43Å; E35-K60 IonicContact OE1-NZ 3.79Å; E35-K60 PolarHBondContact OE1-NZ 3.17Å; E35-K60 IonicContact OE2-NZ 3.68Å; I39-K60 HydrophobicContact CD1-CB 3.79Å; I39-K60 HydrophobicContact CD1-CD 4.25Å; K56-K60 PolarHBondContact O-N 2.96Å; Y57-K60 WeakPolarHBondContact O-CB 3.4Å; Y57-K60 PolarHBondContact O-N 2.75Å; Y57-K60 VanDerWaalsContact O-N 3.08Å; V58-K60 VanDerWaalsContact C-N 3.3Å; V58-K60 PolarHBondContact O-N 3.19Å; K60-L62 VanDerWaalsContact C-N 3.34Å; K60-F63 PolarHBondContact O-N 3.47Å; K60-I64 VanDerWaalsContact O-CG1 3.27Å; K60-I64 WeakPolarHBondContact O-CG1 3.44Å; K60-I64 PolarHBondContact O-N 3.05Å |
| 61 | L | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.3 | -65.1 | 178.5 | 0 | 0 | 0 | 111.3 | L36 I39 F43 Y57 V58 F63 I64 F65 I71 F73 F96 | L36-L61 HydrophobicContact CD2-CD2 3.68Å; I39-L61 HydrophobicContact CD1-CD2 3.78Å; I39-L61 HydrophobicContact CD1-CG 4.16Å; I39-L61 HydrophobicContact CG2-CD1 4.24Å; I39-L61 HydrophobicContact CG2-CD2 4.22Å; I39-L61 HydrophobicContact CG2-CG 4.26Å; F43-L61 HydrophobicContact CE2-CD1 3.75Å; F43-L61 HydrophobicContact CZ-CD1 4.37Å; Y57-L61 PolarHBondContact O-N 3.42Å; V58-L61 PolarHBondContact O-N 2.77Å; L61-F63 VanDerWaalsContact C-N 3.33Å; L61-F63 PolarHBondContact O-N 3.48Å; L61-I64 PolarHBondContact O-N 2.87Å; L61-F65 PolarHBondContact O-N 3.22Å; L61-I71 HydrophobicContact CB-CD1 4.49Å; L61-I71 HydrophobicContact CB-CG2 4.36Å; L61-I71 HydrophobicContact CD1-CG2 4.48Å; L61-I71 HydrophobicContact CD2-CD1 4.09Å; L61-I71 HydrophobicContact CD2-CG2 4.43Å; L61-F73 HydrophobicContact CD1-CE2 4.34Å; L61-F73 HydrophobicContact CD2-CE1 4.23Å; L61-F73 HydrophobicContact CD2-CE2 4.28Å; L61-F73 HydrophobicContact CD2-CZ 3.75Å; L61-F96 HydrophobicContact CB-CE2 3.78Å; L61-F96 HydrophobicContact CB-CZ 4.34Å |
| 62 | L | 93.9 | Very high | 92.7 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 175.4 | -173.2 | 57.4 | 0 | 0 | 0 | 111.8 | V58 C59 K60 I64 F65 L66 L95 F96 V99 L100 | V58-L62 PolarHBondContact O-N 2.65Å; C59-L62 PolarHBondContact O-N 2.95Å; K60-L62 VanDerWaalsContact C-N 3.34Å; L62-I64 VanDerWaalsContact C-N 3.35Å; L62-I64 PolarHBondContact O-N 3.34Å; L62-F65 WeakPolarHBondContact O-CB 3.44Å; L62-F65 PolarHBondContact O-N 2.9Å; L62-L66 HydrophobicContact CG-CD1 4.2Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.44Å; L62-L66 PolarHBondContact O-N 3.36Å; L62-L95 HydrophobicContact CD2-CD2 3.64Å; L62-L95 HydrophobicContact CD2-CG 3.73Å; L62-F96 HydrophobicContact CB-CD2 3.92Å; L62-F96 HydrophobicContact CB-CE2 4.34Å; L62-F96 HydrophobicContact CD1-CD2 4.27Å; L62-V99 HydrophobicContact CD1-CB 3.86Å; L62-V99 HydrophobicContact CD1-CG1 3.77Å; L62-V99 HydrophobicContact CD1-CG2 4.17Å; L62-L100 HydrophobicContact CD1-CD1 4.48Å |
| 63 | F | 94.9 | Very high | 92.7 | Very high | 43 Ų | 43 | 39.7 Ų | 39.7 | 19% | 0.189 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 177.4 | -179.5 | -103.4 | 0 | 0 | 0 | 111.7 | F15 I16 I19 C59 K60 L61 F65 L66 L67 | F15-F63 HydrophobicContact CD1-CD1 4.12Å; F15-F63 AromaticContact CE1-CD1 3.8Å; F15-F63 HydrophobicContact CE1-CD1 3.8Å; F15-F63 HydrophobicContact CE1-CE1 4.36Å; I16-F63 HydrophobicContact CB-CE1 4.39Å; I16-F63 HydrophobicContact CB-CZ 4.22Å; I16-F63 HydrophobicContact CD1-CD2 4.18Å; I16-F63 HydrophobicContact CD1-CE2 4.24Å; I16-F63 HydrophobicContact CG1-CD1 3.99Å; I16-F63 HydrophobicContact CG1-CD2 4.05Å; I16-F63 HydrophobicContact CG1-CE1 3.82Å; I16-F63 HydrophobicContact CG1-CE2 3.9Å; I16-F63 HydrophobicContact CG1-CG 4.1Å; I16-F63 HydrophobicContact CG1-CZ 3.79Å; I16-F63 HydrophobicContact CG2-CE2 4.25Å; I16-F63 HydrophobicContact CG2-CZ 3.94Å; I19-F63 HydrophobicContact CB-CE1 4.43Å; I19-F63 HydrophobicContact CG1-CE1 4.35Å; C59-F63 WeakPolarHBondContact O-CB 3.44Å; C59-F63 PolarHBondContact O-N 3.25Å; K60-F63 PolarHBondContact O-N 3.47Å; L61-F63 VanDerWaalsContact C-N 3.33Å; L61-F63 PolarHBondContact O-N 3.48Å; F63-F65 VanDerWaalsContact C-N 3.34Å; F63-L66 PolarHBondContact O-N 3.44Å; F63-L67 HydrophobicContact CD1-CD1 4.05Å; F63-L67 HydrophobicContact CE1-CD1 3.6Å; F63-L67 HydrophobicContact CE1-CG 4.23Å; F63-L67 HydrophobicContact CZ-CD1 4.08Å; F63-L67 HydrophobicContact CZ-CD2 4.27Å; F63-L67 HydrophobicContact CZ-CG 4.31Å; F63-L67 WeakPolarHBondContact O-CG 3.4Å; F63-L67 PolarHBondContact O-N 2.76Å; F63-L67 VanDerWaalsContact O-N 3.13Å |
| 64 | I | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 175.7 | -67.4 | 165.4 | 0 | 0 | 0 | 110.8 | F15 I32 L36 K60 L61 L62 L66 L67 H69 I71 | F15-I64 HydrophobicContact CE1-CD1 3.91Å; F15-I64 HydrophobicContact CE1-CG1 3.65Å; F15-I64 HydrophobicContact CZ-CD1 3.76Å; F15-I64 HydrophobicContact CZ-CG1 3.68Å; I32-I64 HydrophobicContact CG2-CD1 4.35Å; I32-I64 HydrophobicContact CG2-CG1 4.37Å; I32-I64 HydrophobicContact CG2-CG2 3.76Å; L36-I64 HydrophobicContact CD2-CD1 3.69Å; L36-I64 HydrophobicContact CD2-CG2 4.37Å; L36-I64 HydrophobicContact CG-CD1 4.14Å; K60-I64 VanDerWaalsContact O-CG1 3.27Å; K60-I64 WeakPolarHBondContact O-CG1 3.44Å; K60-I64 PolarHBondContact O-N 3.05Å; L61-I64 PolarHBondContact O-N 2.87Å; L62-I64 VanDerWaalsContact C-N 3.35Å; L62-I64 PolarHBondContact O-N 3.34Å; I64-L66 PolarHBondContact O-N 2.72Å; I64-L67 WeakPolarHBondContact O-CB 3.48Å; I64-L67 PolarHBondContact O-N 3.27Å; I64-H69 HydrophobicContact CG2-CB 3.57Å; I64-H69 PolarHBondContact O-N 3.21Å; I64-I71 HydrophobicContact CB-CD1 4Å; I64-I71 HydrophobicContact CG2-CD1 3.63Å |
| 65 | F | 92.8 | Very high | 92.5 | Very high | 26 Ų | 26 | 37 Ų | 37 | 11% | 0.114 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 174.9 | -177.3 | -99.9 | 0 | 0 | 0 | 112.1 | L61 L62 F63 L67 G68 H69 I71 V99 L100 | L61-F65 PolarHBondContact O-N 3.22Å; L62-F65 WeakPolarHBondContact O-CB 3.44Å; L62-F65 PolarHBondContact O-N 2.9Å; F63-F65 VanDerWaalsContact C-N 3.34Å; F65-L67 PolarHBondContact O-N 3.11Å; F65-G68 WeakPolarHBondContact O-CA 3.32Å; F65-G68 PolarHBondContact O-N 2.94Å; F65-H69 WeakPolarHBondContact CA-O 3.47Å; F65-I71 HydrophobicContact CB-CG1 3.87Å; F65-I71 HydrophobicContact CD2-CG1 4.35Å; F65-V99 HydrophobicContact CD1-CG1 3.68Å; F65-V99 HydrophobicContact CE1-CG1 3.61Å; F65-L100 HydrophobicContact CD1-CG 4.5Å; F65-L100 HydrophobicContact CD2-CG 4.38Å; F65-L100 HydrophobicContact CE1-CG 4.43Å; F65-L100 HydrophobicContact CE2-CG 4.31Å; F65-L100 HydrophobicContact CG-CG 4.47Å; F65-L100 HydrophobicContact CZ-CG 4.33Å |
| 66 | L | 92.1 | Very high | 92.4 | Very high | 117 Ų | 117 | 40.5 Ų | 40.5 | 61% | 0.613 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -66 | -19.5 | 177.8 | -69.6 | 172.9 | 0 | 0 | 0 | 113.6 | L62 F63 I64 V99 | L62-L66 HydrophobicContact CG-CD1 4.2Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.44Å; L62-L66 PolarHBondContact O-N 3.36Å; F63-L66 PolarHBondContact O-N 3.44Å; I64-L66 PolarHBondContact O-N 2.72Å; L66-V99 HydrophobicContact CD2-CG1 4.14Å |
| 67 | L | 91.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 41 Ų | 41 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -6.7 | 169.9 | -68.4 | 172.5 | 0 | 0 | 0 | 113 | I19 I32 F63 I64 F65 | I19-L67 HydrophobicContact CG2-CD1 3.91Å; I32-L67 HydrophobicContact CD1-CD1 4.22Å; F63-L67 HydrophobicContact CD1-CD1 4.05Å; F63-L67 HydrophobicContact CE1-CD1 3.6Å; F63-L67 HydrophobicContact CE1-CG 4.23Å; F63-L67 HydrophobicContact CZ-CD1 4.08Å; F63-L67 HydrophobicContact CZ-CD2 4.27Å; F63-L67 HydrophobicContact CZ-CG 4.31Å; F63-L67 WeakPolarHBondContact O-CG 3.4Å; F63-L67 PolarHBondContact O-N 2.76Å; F63-L67 VanDerWaalsContact O-N 3.13Å; I64-L67 WeakPolarHBondContact O-CB 3.48Å; I64-L67 PolarHBondContact O-N 3.27Å; F65-L67 PolarHBondContact O-N 3.11Å |
| 68 | G | 89.7 | Confident | 92.2 | Very high | 64 Ų | 64 | 40.1 Ų | 40.1 | 66% | 0.66 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | 16.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F65 | F65-G68 WeakPolarHBondContact O-CA 3.32Å; F65-G68 PolarHBondContact O-N 2.94Å |
| 69 | H | 90.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 22% | 0.218 | 22% | 0.221 | C | C | . | . | trans | -96.2 | 136.8 | 174.2 | -66.4 | -87.9 | 0 | 0 | 0 | 111.4 | I32 I64 F65 | I32-H69 VanDerWaalsContact CD1-CD2 3.41Å; I32-H69 WeakPolarHBondContact CD1-CD2 3.46Å; I32-H69 WeakPolarHBondContact CD1-NE2 3.46Å; I64-H69 HydrophobicContact CG2-CB 3.57Å; I64-H69 PolarHBondContact O-N 3.21Å; F65-H69 WeakPolarHBondContact CA-O 3.47Å | ||
| 70 | D | 87.3 | Confident | 92 | Very high | 124 Ų | 124 | 42.8 Ų | 42.8 | 66% | 0.663 | 23% | 0.233 | S | C | * | . | trans | -67.4 | 140.2 | 178.3 | -64.5 | -38.4 | 0 | 0 | 0 | 112.2 | ||||
| 71 | I | 89.2 | Confident | 92 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | trans | -117.4 | 112.8 | 176.4 | -60.9 | -58 | 0 | 0 | 0 | 108.7 | L36 L61 I64 F65 F73 H75 F96 | L36-I71 HydrophobicContact CD2-CD1 3.84Å; L61-I71 HydrophobicContact CB-CD1 4.49Å; L61-I71 HydrophobicContact CB-CG2 4.36Å; L61-I71 HydrophobicContact CD1-CG2 4.48Å; L61-I71 HydrophobicContact CD2-CD1 4.09Å; L61-I71 HydrophobicContact CD2-CG2 4.43Å; I64-I71 HydrophobicContact CB-CD1 4Å; I64-I71 HydrophobicContact CG2-CD1 3.63Å; F65-I71 HydrophobicContact CB-CG1 3.87Å; F65-I71 HydrophobicContact CD2-CG1 4.35Å; I71-F73 WeakPolarHBondContact CG2-O 3.47Å; I71-H75 PolarHBondContact O-CE1 3.19Å; I71-F96 HydrophobicContact CG2-CZ 4.33Å | ||
| 72 | D | 87.8 | Confident | 92 | Very high | 107 Ų | 107 | 42.4 Ų | 42.4 | 57% | 0.572 | 23% | 0.231 | S | C | * | . | trans | -99.7 | -4.8 | -176.3 | 60.6 | -38.4 | 0 | 0 | 0 | 113.7 | R40 | R40-D72 IonicContact CZ-OD1 2.74Å; R40-D72 IonicContact CZ-OD2 3.03Å; R40-D72 VanDerWaalsContact NH1-CG 3.25Å; R40-D72 IonicContact NH1-OD1 3.69Å; R40-D72 PolarHBondContact NH1-OD1 3.01Å; R40-D72 IonicContact NH1-OD2 3.72Å; R40-D72 PolarHBondContact NH1-OD2 3.4Å; R40-D72 IonicContact NH2-OD1 3.27Å; R40-D72 PolarHBondContact NH2-OD1 3.33Å | ||
| 73 | F | 91.2 | Very high | 92 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -147.3 | 171.2 | -177.8 | 75.2 | -75.8 | 0 | 0 | 0 | 111.5 | L36 I39 R40 F43 L61 I71 H75 | L36-F73 HydrophobicContact CB-CE1 4.48Å; L36-F73 HydrophobicContact CD2-CE1 4.01Å; L36-F73 HydrophobicContact CD2-CZ 4.22Å; I39-F73 HydrophobicContact CB-CE2 4.16Å; I39-F73 HydrophobicContact CB-CZ 4.14Å; I39-F73 HydrophobicContact CG2-CE2 3.82Å; I39-F73 HydrophobicContact CG2-CZ 4.2Å; R40-F73 HydrophobicContact CB-CE2 4.1Å; R40-F73 HydrophobicContact CB-CZ 4.25Å; R40-F73 HydrophobicContact CG-CD1 3.81Å; R40-F73 HydrophobicContact CG-CD2 3.74Å; R40-F73 HydrophobicContact CG-CE1 3.46Å; R40-F73 VanDerWaalsContact CG-CE1 3.46Å; R40-F73 HydrophobicContact CG-CE2 3.37Å; R40-F73 HydrophobicContact CG-CG 3.96Å; R40-F73 HydrophobicContact CG-CZ 3.24Å; R40-F73 VanDerWaalsContact NH1-CD1 3.28Å; F43-F73 AromaticContact CD2-CD2 3.94Å; F43-F73 HydrophobicContact CD2-CD2 3.94Å; F43-F73 AromaticContact CD2-CE2 3.97Å; F43-F73 HydrophobicContact CD2-CE2 3.97Å; F43-F73 HydrophobicContact CE2-CE2 4.36Å; L61-F73 HydrophobicContact CD1-CE2 4.34Å; L61-F73 HydrophobicContact CD2-CE1 4.23Å; L61-F73 HydrophobicContact CD2-CE2 4.28Å; L61-F73 HydrophobicContact CD2-CZ 3.75Å; I71-F73 WeakPolarHBondContact CG2-O 3.47Å; F73-H75 VanDerWaalsContact C-N 3.35Å |
| 74 | G | 90.3 | Very high | 92 | Very high | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | trans | 91.9 | -6.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E77 A78 | G74-E77 VanDerWaalsContact C-OE2 3.26Å; G74-E77 WeakPolarHBondContact CA-OE2 3.42Å; G74-E77 PolarHBondContact O-N 2.85Å; G74-A78 PolarHBondContact O-N 2.96Å | ||
| 75 | H | 91.3 | Very high | 91.9 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 19% | 0.185 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 179.3 | -57.2 | 113.6 | 0 | 0 | 0 | 112.3 | I71 F73 E77 A78 V79 F96 L100 L107 | I71-H75 PolarHBondContact O-CE1 3.19Å; F73-H75 VanDerWaalsContact C-N 3.35Å; H75-E77 VanDerWaalsContact C-N 3.34Å; H75-E77 PolarHBondContact O-N 2.98Å; H75-A78 WeakPolarHBondContact O-CB 3.42Å; H75-A78 PolarHBondContact O-N 2.62Å; H75-V79 WeakPolarHBondContact O-CG2 3.26Å; H75-V79 PolarHBondContact O-N 2.96Å; H75-F96 AromaticContact CD2-CE1 3.86Å; H75-L100 VanDerWaalsContact NE2-CD2 3.25Å; H75-L100 WeakPolarHBondContact NE2-CD2 3.36Å; H75-L107 HydrophobicContact CB-CD1 3.5Å; H75-L107 HydrophobicContact CB-CD2 4.29Å |
| 76 | M | 91.2 | Very high | 91.9 | Very high | 81 Ų | 81 | 56.6 Ų | 56.6 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -35.7 | -179.9 | -169.9 | 60.6 | 179.6 | 0 | 0 | 111.4 | A78 V79 N80 L107 L110 | M76-A78 VanDerWaalsContact C-N 3.32Å; M76-A78 PolarHBondContact O-N 3.39Å; M76-V79 PolarHBondContact O-N 2.95Å; M76-N80 WeakPolarHBondContact O-CB 3.33Å; M76-N80 PolarHBondContact O-N 2.84Å; M76-N80 PolarHBondContact O-ND2 3.43Å; M76-N80 VanDerWaalsContact O-ND2 3.16Å; M76-L107 HydrophobicContact CB-CD2 4.39Å; M76-L107 HydrophobicContact SD-CD2 3.96Å; M76-L110 HydrophobicContact CE-CD1 3.74Å; M76-L110 HydrophobicContact SD-CD1 3.83Å |
| 77 | E | 93 | Very high | 92 | Very high | 40 Ų | 40 | 55.5 Ų | 55.5 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 173.7 | -69 | 76.4 | -173.2 | 0 | 0 | 111.5 | F43 K54 V58 G74 H75 N80 L81 | F43-E77 HydrophobicContact CD1-CG 4.02Å; F43-E77 HydrophobicContact CD2-CB 4.44Å; F43-E77 HydrophobicContact CD2-CG 3.75Å; F43-E77 HydrophobicContact CE1-CB 4.47Å; F43-E77 HydrophobicContact CE1-CG 4.05Å; F43-E77 HydrophobicContact CE2-CB 4.01Å; F43-E77 HydrophobicContact CE2-CG 3.81Å; F43-E77 HydrophobicContact CG-CG 3.87Å; F43-E77 HydrophobicContact CZ-CB 4.01Å; F43-E77 HydrophobicContact CZ-CG 3.95Å; K54-E77 HydrophobicContact CD-CB 4.19Å; K54-E77 WeakPolarHBondContact CD-O 3.45Å; K54-E77 HydrophobicContact CG-CB 4Å; V58-E77 HydrophobicContact CG2-CB 4.22Å; G74-E77 VanDerWaalsContact C-OE2 3.26Å; G74-E77 WeakPolarHBondContact CA-OE2 3.42Å; G74-E77 PolarHBondContact O-N 2.85Å; H75-E77 VanDerWaalsContact C-N 3.34Å; H75-E77 PolarHBondContact O-N 2.98Å; E77-N80 PolarHBondContact O-N 3.1Å; E77-L81 WeakPolarHBondContact O-CG 3.45Å; E77-L81 PolarHBondContact O-N 3.37Å |
| 78 | A | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V58 G74 H75 M76 N80 L81 G93 F96 | V58-A78 HydrophobicContact CG1-CB 4.05Å; V58-A78 HydrophobicContact CG2-CB 4.39Å; G74-A78 PolarHBondContact O-N 2.96Å; H75-A78 WeakPolarHBondContact O-CB 3.42Å; H75-A78 PolarHBondContact O-N 2.62Å; M76-A78 VanDerWaalsContact C-N 3.32Å; M76-A78 PolarHBondContact O-N 3.39Å; A78-N80 VanDerWaalsContact C-N 3.33Å; A78-N80 PolarHBondContact O-N 3.35Å; A78-L81 WeakPolarHBondContact O-CB 3.39Å; A78-L81 PolarHBondContact O-N 2.69Å; A78-G93 WeakPolarHBondContact O-CA 3.42Å; A78-F96 HydrophobicContact CB-CB 3.99Å; A78-F96 HydrophobicContact CB-CD1 3.31Å; A78-F96 HydrophobicContact CB-CE1 3.94Å; A78-F96 HydrophobicContact CB-CG 3.76Å |
| 79 | V | 93.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | H75 M76 L81 L82 I97 L107 L110 | H75-V79 WeakPolarHBondContact O-CG2 3.26Å; H75-V79 PolarHBondContact O-N 2.96Å; M76-V79 PolarHBondContact O-N 2.95Å; V79-L81 PolarHBondContact O-N 3.19Å; V79-L82 WeakPolarHBondContact O-CB 3.3Å; V79-L82 WeakPolarHBondContact O-CG 3.45Å; V79-L82 PolarHBondContact O-N 2.74Å; V79-I97 HydrophobicContact CG2-CD1 3.95Å; V79-L107 HydrophobicContact CG2-CD2 3.97Å; V79-L110 HydrophobicContact CG1-CB 3.82Å |
| 80 | N | 93.3 | Very high | 92.6 | Very high | 61 Ų | 61 | 50.6 Ų | 50.6 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -30.9 | 177.6 | -75.5 | -30.9 | 0 | 0 | 0 | 112.8 | K54 M76 E77 A78 L82 S83 | K54-N80 HydrophobicContact CD-CB 4.33Å; M76-N80 WeakPolarHBondContact O-CB 3.33Å; M76-N80 PolarHBondContact O-N 2.84Å; M76-N80 PolarHBondContact O-ND2 3.43Å; M76-N80 VanDerWaalsContact O-ND2 3.16Å; E77-N80 PolarHBondContact O-N 3.1Å; A78-N80 VanDerWaalsContact C-N 3.33Å; A78-N80 PolarHBondContact O-N 3.35Å; N80-L82 PolarHBondContact O-N 2.8Å; N80-S83 PolarHBondContact O-N 3.23Å; N80-S83 PolarHBondContact O-OG 3.31Å |
| 81 | L | 95.7 | Very high | 93 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -23.7 | 174.4 | -70 | 171.3 | 0 | 0 | 0 | 112.5 | K54 K55 V58 E77 A78 V79 S83 S84 E89 K90 I92 | K54-L81 HydrophobicContact CB-CD2 4.07Å; K54-L81 HydrophobicContact CD-CD2 3.87Å; K54-L81 HydrophobicContact CD-CG 3.93Å; K54-L81 HydrophobicContact CG-CD1 4.4Å; K54-L81 HydrophobicContact CG-CD2 3.96Å; K54-L81 HydrophobicContact CG-CG 4.06Å; K55-L81 HydrophobicContact CB-CD2 4.42Å; V58-L81 HydrophobicContact CB-CD1 4.1Å; V58-L81 HydrophobicContact CG1-CD1 4.29Å; V58-L81 HydrophobicContact CG2-CD1 3.88Å; E77-L81 WeakPolarHBondContact O-CG 3.45Å; E77-L81 PolarHBondContact O-N 3.37Å; A78-L81 WeakPolarHBondContact O-CB 3.39Å; A78-L81 PolarHBondContact O-N 2.69Å; V79-L81 PolarHBondContact O-N 3.19Å; L81-S83 PolarHBondContact O-N 2.82Å; L81-S84 VanDerWaalsContact O-CB 3.32Å; L81-S84 WeakPolarHBondContact O-CB 3.2Å; L81-S84 PolarHBondContact O-N 3.4Å; L81-S84 VanDerWaalsContact O-N 3.11Å; L81-E89 HydrophobicContact CD2-CB 3.98Å; L81-E89 HydrophobicContact CD2-CG 4.44Å; L81-K90 WeakPolarHBondContact O-CA 3.26Å; L81-I92 HydrophobicContact CD1-CG2 4.28Å |
| 82 | L | 95.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.8 | -26.8 | 176 | -56.4 | -172.7 | 0 | 0 | 0 | 112.6 | V79 N80 S84 K90 Y94 I97 T111 | V79-L82 WeakPolarHBondContact O-CB 3.3Å; V79-L82 WeakPolarHBondContact O-CG 3.45Å; V79-L82 PolarHBondContact O-N 2.74Å; N80-L82 PolarHBondContact O-N 2.8Å; L82-S84 VanDerWaalsContact C-N 3.28Å; L82-S84 PolarHBondContact O-N 3.09Å; L82-K90 PolarHBondContact O-NZ 3.43Å; L82-Y94 HydrophobicContact CD1-CD1 4.48Å; L82-Y94 HydrophobicContact CD1-CE1 4.1Å; L82-Y94 HydrophobicContact CD2-CD1 3.58Å; L82-Y94 HydrophobicContact CD2-CD2 3.71Å; L82-Y94 HydrophobicContact CD2-CE1 3.75Å; L82-Y94 HydrophobicContact CD2-CE2 3.9Å; L82-Y94 HydrophobicContact CD2-CG 3.57Å; L82-I97 HydrophobicContact CD1-CD1 3.55Å; L82-I97 HydrophobicContact CD2-CD1 4.05Å; L82-I97 HydrophobicContact CG-CD1 3.92Å; L82-T111 HydrophobicContact CD1-CG2 4.27Å |
| 83 | S | 93.6 | Very high | 93.6 | Very high | 91 Ų | 91 | 43.4 Ų | 43.4 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -10.7 | 176.5 | 70.3 | 0 | 0 | 0 | 0 | 113.9 | N80 L81 | N80-S83 PolarHBondContact O-N 3.23Å; N80-S83 PolarHBondContact O-OG 3.31Å; L81-S83 PolarHBondContact O-N 2.82Å |
| 84 | S | 94 | Very high | 93.9 | Very high | 19 Ų | 19 | 42 Ų | 42 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | trans | -70.5 | 138.2 | -177.6 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | L81 L82 K86 E89 K90 | L81-S84 VanDerWaalsContact O-CB 3.32Å; L81-S84 WeakPolarHBondContact O-CB 3.2Å; L81-S84 PolarHBondContact O-N 3.4Å; L81-S84 VanDerWaalsContact O-N 3.11Å; L82-S84 VanDerWaalsContact C-N 3.28Å; L82-S84 PolarHBondContact O-N 3.09Å; S84-K86 PolarHBondContact O-N 3.16Å; S84-K86 PolarHBondContact OG-N 3.39Å; S84-K86 VanDerWaalsContact OG-N 3.1Å; S84-E89 WeakPolarHBondContact CB-OE2 3.22Å; S84-E89 PolarHBondContact OG-OE2 3.07Å; S84-K90 WeakPolarHBondContact O-CE 3.46Å | ||
| 85 | N | 92.3 | Very high | 94.1 | Very high | 144 Ų | 144 | 45.6 Ų | 45.6 | 77% | 0.77 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -78.3 | -8.3 | 170.7 | -71.3 | -40.9 | 0 | 0 | 0 | 113.1 | ||
| 86 | K | 93.5 | Very high | 94.2 | Very high | 126 Ų | 126 | 43.8 Ų | 43.8 | 55% | 0.548 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -85.7 | 119.2 | 177 | -69.2 | 172.8 | 178.6 | 178.1 | 0 | 109.9 | S84 T88 E89 K90 | S84-K86 PolarHBondContact O-N 3.16Å; S84-K86 PolarHBondContact OG-N 3.39Å; S84-K86 VanDerWaalsContact OG-N 3.1Å; K86-T88 VanDerWaalsContact C-N 3.3Å; K86-T88 PolarHBondContact O-N 3.27Å; K86-E89 HydrophobicContact CB-CB 4.27Å; K86-E89 HydrophobicContact CB-CG 4.15Å; K86-E89 HydrophobicContact CD-CG 4.47Å; K86-E89 WeakPolarHBondContact CD-OE1 3.12Å; K86-E89 IonicContact NZ-OE1 3.55Å; K86-E89 PolarHBondContact O-N 3.31Å; K86-K90 PolarHBondContact O-N 2.72Å; K86-K90 VanDerWaalsContact O-N 3.09Å |
| 87 | Y | 93.9 | Very high | 94.2 | Very high | 94 Ų | 94 | 40.1 Ų | 40.1 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -48.1 | -48.3 | 178.7 | 169.8 | -104.1 | 0 | 0 | 0 | 113.3 | E89 K90 Q91 V125 L129 | Y87-E89 VanDerWaalsContact C-N 3.26Å; Y87-E89 PolarHBondContact O-N 2.93Å; Y87-K90 PolarHBondContact O-N 3.24Å; Y87-Q91 HydrophobicContact CE2-CB 4.31Å; Y87-Q91 WeakPolarHBondContact O-CB 3.35Å; Y87-Q91 PolarHBondContact O-N 3.43Å; Y87-Q91 PolarHBondContact OH-NE2 2.97Å; Y87-V125 HydrophobicContact CD2-CG1 3.35Å; Y87-V125 HydrophobicContact CE2-CG1 3.33Å; Y87-V125 HydrophobicContact CG-CG1 4.43Å; Y87-L129 HydrophobicContact CD2-CD1 3.9Å; Y87-L129 HydrophobicContact CE2-CD1 3.82Å; Y87-L129 HydrophobicContact CE2-CD2 4.24Å; Y87-L129 HydrophobicContact CE2-CG 4.24Å |
| 88 | T | 93.5 | Very high | 94.1 | Very high | 56 Ų | 56 | 39.1 Ų | 39.1 | 34% | 0.344 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.6 | -26 | -175.8 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | K55 K86 I92 | K55-T88 WeakPolarHBondContact CD-O 3.34Å; K55-T88 PolarHBondContact NZ-OG1 3.21Å; K55-T88 VanDerWaalsContact NZ-OG1 3.1Å; K86-T88 VanDerWaalsContact C-N 3.3Å; K86-T88 PolarHBondContact O-N 3.27Å; T88-I92 WeakPolarHBondContact O-CG1 3.4Å |
| 89 | E | 95.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -78.9 | -51.1 | 176.2 | -69.4 | 175.3 | -169.6 | 0 | 0 | 109.9 | G51 Y52 K55 L81 S84 K86 Y87 Q91 I92 G93 | G51-E89 VanDerWaalsContact C-OE1 3.3Å; G51-E89 WeakPolarHBondContact CA-OE1 3.21Å; Y52-E89 PolarHBondContact N-OE1 3.25Å; K55-E89 HydrophobicContact CB-CG 4.36Å; K55-E89 HydrophobicContact CD-CG 4.26Å; L81-E89 HydrophobicContact CD2-CB 3.98Å; L81-E89 HydrophobicContact CD2-CG 4.44Å; S84-E89 WeakPolarHBondContact CB-OE2 3.22Å; S84-E89 PolarHBondContact OG-OE2 3.07Å; K86-E89 HydrophobicContact CB-CB 4.27Å; K86-E89 HydrophobicContact CB-CG 4.15Å; K86-E89 HydrophobicContact CD-CG 4.47Å; K86-E89 WeakPolarHBondContact CD-OE1 3.12Å; K86-E89 IonicContact NZ-OE1 3.55Å; K86-E89 PolarHBondContact O-N 3.31Å; Y87-E89 VanDerWaalsContact C-N 3.26Å; Y87-E89 PolarHBondContact O-N 2.93Å; E89-Q91 PolarHBondContact O-N 2.78Å; E89-I92 PolarHBondContact O-N 3.47Å; E89-G93 PolarHBondContact O-N 3.39Å; E89-G93 VanDerWaalsContact O-N 3.09Å |
| 90 | K | 96.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -43 | 177.9 | -174.8 | -173.1 | -70.9 | -82.1 | 0 | 112.4 | L81 L82 S84 K86 Y87 I92 G93 Y94 D118 H126 L129 | L81-K90 WeakPolarHBondContact O-CA 3.26Å; L82-K90 PolarHBondContact O-NZ 3.43Å; S84-K90 WeakPolarHBondContact O-CE 3.46Å; K86-K90 PolarHBondContact O-N 2.72Å; K86-K90 VanDerWaalsContact O-N 3.09Å; Y87-K90 PolarHBondContact O-N 3.24Å; K90-I92 VanDerWaalsContact C-N 3.3Å; K90-I92 PolarHBondContact O-N 3.14Å; K90-G93 PolarHBondContact O-N 2.97Å; K90-Y94 HydrophobicContact CD-CD2 4.39Å; K90-Y94 HydrophobicContact CD-CE2 3.91Å; K90-Y94 HydrophobicContact CG-CD2 3.72Å; K90-Y94 HydrophobicContact CG-CE2 3.61Å; K90-Y94 WeakPolarHBondContact O-CD2 3.33Å; K90-Y94 PolarHBondContact O-N 3.47Å; K90-D118 IonicContact NZ-OD1 2.82Å; K90-D118 PolarHBondContact NZ-OD1 2.97Å; K90-D118 IonicContact NZ-OD2 3.57Å; K90-D118 PolarHBondContact NZ-OD2 2.79Å; K90-H126 HydrophobicContact CD-CB 4.42Å; K90-H126 VanDerWaalsContact CE-CE1 3.5Å; K90-H126 WeakPolarHBondContact CE-CE1 3.28Å; K90-L129 HydrophobicContact CB-CD1 4.48Å; K90-L129 HydrophobicContact CD-CD1 4.03Å; K90-L129 HydrophobicContact CG-CD1 4.09Å |
| 91 | Q | 96.3 | Very high | 92.1 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 34% | 0.336 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.8 | -44.2 | 176.8 | -177.6 | -170.3 | 25 | 0 | 0 | 111.7 | Y87 E89 L95 L129 | Y87-Q91 HydrophobicContact CE2-CB 4.31Å; Y87-Q91 WeakPolarHBondContact O-CB 3.35Å; Y87-Q91 PolarHBondContact O-N 3.43Å; Y87-Q91 PolarHBondContact OH-NE2 2.97Å; E89-Q91 PolarHBondContact O-N 2.78Å; Q91-L95 VanDerWaalsContact O-CB 3.25Å; Q91-L95 WeakPolarHBondContact O-CB 3.37Å; Q91-L95 PolarHBondContact O-N 3.48Å; Q91-L129 HydrophobicContact CB-CD1 4.33Å; Q91-L129 HydrophobicContact CB-CD2 4.27Å; Q91-L129 HydrophobicContact CG-CD2 4.12Å |
| 92 | I | 95.1 | Very high | 90.6 | Very high | 20 Ų | 20 | 43 Ų | 43 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.7 | -38.1 | 179.3 | -67.3 | -55.3 | 0 | 0 | 0 | 111.4 | K55 V58 C59 L81 T88 E89 K90 L95 F96 | K55-I92 HydrophobicContact CD-CG1 4.11Å; K55-I92 HydrophobicContact CG-CB 4Å; K55-I92 HydrophobicContact CG-CG1 3.75Å; K55-I92 HydrophobicContact CG-CG2 4.18Å; V58-I92 HydrophobicContact CB-CG2 4.18Å; V58-I92 HydrophobicContact CG1-CG2 3.77Å; C59-I92 VanDerWaalsContact SG-CD1 3.54Å; C59-I92 VanDerWaalsContact SG-CG2 3.55Å; L81-I92 HydrophobicContact CD1-CG2 4.28Å; T88-I92 WeakPolarHBondContact O-CG1 3.4Å; E89-I92 PolarHBondContact O-N 3.47Å; K90-I92 VanDerWaalsContact C-N 3.3Å; K90-I92 PolarHBondContact O-N 3.14Å; I92-L95 HydrophobicContact CD1-CD2 4.31Å; I92-L95 PolarHBondContact O-N 2.92Å; I92-F96 WeakPolarHBondContact O-CB 3.42Å; I92-F96 PolarHBondContact O-N 3.03Å |
| 93 | G | 95.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.6 | -53.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A78 E89 K90 L95 F96 I97 | A78-G93 WeakPolarHBondContact O-CA 3.42Å; E89-G93 PolarHBondContact O-N 3.39Å; E89-G93 VanDerWaalsContact O-N 3.09Å; K90-G93 PolarHBondContact O-N 2.97Å; G93-L95 PolarHBondContact O-N 2.86Å; G93-F96 PolarHBondContact O-N 3.21Å; G93-I97 VanDerWaalsContact O-CG1 3.31Å; G93-I97 WeakPolarHBondContact O-CG1 3.29Å; G93-I97 PolarHBondContact O-N 3.33Å; G93-I97 VanDerWaalsContact O-N 3.12Å |
| 94 | Y | 95.7 | Very high | 88 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 178.6 | -82.9 | -58.1 | 0 | 0 | 0 | 113.3 | L82 K90 S98 I115 D118 L129 C133 | L82-Y94 HydrophobicContact CD1-CD1 4.48Å; L82-Y94 HydrophobicContact CD1-CE1 4.1Å; L82-Y94 HydrophobicContact CD2-CD1 3.58Å; L82-Y94 HydrophobicContact CD2-CD2 3.71Å; L82-Y94 HydrophobicContact CD2-CE1 3.75Å; L82-Y94 HydrophobicContact CD2-CE2 3.9Å; L82-Y94 HydrophobicContact CD2-CG 3.57Å; K90-Y94 HydrophobicContact CD-CD2 4.39Å; K90-Y94 HydrophobicContact CD-CE2 3.91Å; K90-Y94 HydrophobicContact CG-CD2 3.72Å; K90-Y94 HydrophobicContact CG-CE2 3.61Å; K90-Y94 WeakPolarHBondContact O-CD2 3.33Å; K90-Y94 PolarHBondContact O-N 3.47Å; Y94-S98 VanDerWaalsContact O-CB 3.25Å; Y94-S98 WeakPolarHBondContact O-CB 3.49Å; Y94-S98 PolarHBondContact O-N 3.12Å; Y94-S98 PolarHBondContact O-OG 3.1Å; Y94-I115 HydrophobicContact CE1-CD1 4.45Å; Y94-I115 HydrophobicContact CE1-CG1 3.71Å; Y94-D118 VanDerWaalsContact CE2-OD2 3.3Å; Y94-D118 WeakPolarHBondContact CE2-OD2 3.45Å; Y94-D118 PolarHBondContact OH-OD2 2.98Å; Y94-L129 HydrophobicContact CD2-CB 3.52Å; Y94-L129 HydrophobicContact CD2-CD1 4.19Å; Y94-L129 HydrophobicContact CD2-CG 4.39Å; Y94-L129 HydrophobicContact CE2-CB 3.84Å; Y94-L129 HydrophobicContact CG-CB 4.24Å; Y94-C133 HydrophobicContact CD1-CB 3.41Å; Y94-C133 VanDerWaalsContact CD1-CB 3.41Å; Y94-C133 HydrophobicContact CE1-CB 3.94Å; Y94-C133 HydrophobicContact CG-CB 4.26Å |
| 95 | L | 94.2 | Very high | 87.2 | Confident | 80 Ų | 80 | 48.7 Ų | 48.7 | 42% | 0.419 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 177 | 177.7 | 63 | 0 | 0 | 0 | 111.2 | L62 Q91 I92 G93 S98 V99 | L62-L95 HydrophobicContact CD2-CD2 3.64Å; L62-L95 HydrophobicContact CD2-CG 3.73Å; Q91-L95 VanDerWaalsContact O-CB 3.25Å; Q91-L95 WeakPolarHBondContact O-CB 3.37Å; Q91-L95 PolarHBondContact O-N 3.48Å; I92-L95 HydrophobicContact CD1-CD2 4.31Å; I92-L95 PolarHBondContact O-N 2.92Å; G93-L95 PolarHBondContact O-N 2.86Å; L95-S98 PolarHBondContact O-N 3.41Å; L95-V99 HydrophobicContact CD1-CG2 4.2Å; L95-V99 WeakPolarHBondContact O-CG2 3.43Å; L95-V99 PolarHBondContact O-N 2.83Å; L95-V99 VanDerWaalsContact O-N 3.13Å |
| 96 | F | 93.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -51.6 | 179.3 | -171.8 | -88.2 | 0 | 0 | 0 | 110.9 | V58 L61 L62 I71 H75 A78 I92 G93 S98 V99 L100 | V58-F96 HydrophobicContact CG1-CB 3.78Å; V58-F96 HydrophobicContact CG1-CD2 3.47Å; V58-F96 VanDerWaalsContact CG1-CD2 3.47Å; V58-F96 HydrophobicContact CG1-CE2 4.2Å; V58-F96 HydrophobicContact CG1-CG 3.69Å; L61-F96 HydrophobicContact CB-CE2 3.78Å; L61-F96 HydrophobicContact CB-CZ 4.34Å; L62-F96 HydrophobicContact CB-CD2 3.92Å; L62-F96 HydrophobicContact CB-CE2 4.34Å; L62-F96 HydrophobicContact CD1-CD2 4.27Å; I71-F96 HydrophobicContact CG2-CZ 4.33Å; H75-F96 AromaticContact CD2-CE1 3.86Å; A78-F96 HydrophobicContact CB-CB 3.99Å; A78-F96 HydrophobicContact CB-CD1 3.31Å; A78-F96 HydrophobicContact CB-CE1 3.94Å; A78-F96 HydrophobicContact CB-CG 3.76Å; I92-F96 WeakPolarHBondContact O-CB 3.42Å; I92-F96 PolarHBondContact O-N 3.03Å; G93-F96 PolarHBondContact O-N 3.21Å; F96-S98 VanDerWaalsContact C-N 3.34Å; F96-S98 PolarHBondContact O-N 3.35Å; F96-V99 PolarHBondContact O-N 3.36Å; F96-L100 HydrophobicContact CD1-CD1 3.69Å; F96-L100 HydrophobicContact CD2-CD1 4.01Å; F96-L100 HydrophobicContact CE1-CD1 3.54Å; F96-L100 HydrophobicContact CE1-CD2 3.86Å; F96-L100 HydrophobicContact CE1-CG 4.31Å; F96-L100 HydrophobicContact CE2-CD1 3.85Å; F96-L100 HydrophobicContact CG-CD1 3.93Å; F96-L100 HydrophobicContact CZ-CD1 3.61Å; F96-L100 HydrophobicContact CZ-CD2 3.91Å; F96-L100 HydrophobicContact CZ-CG 4.45Å; F96-L100 WeakPolarHBondContact O-CD1 3.2Å; F96-L100 PolarHBondContact O-N 3.39Å; F96-L100 VanDerWaalsContact O-N 3.14Å |
| 97 | I | 92.5 | Very high | 86.5 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | -179.4 | -62.8 | 168 | 0 | 0 | 0 | 111.2 | V79 L82 G93 V99 L100 G101 T111 I137 | V79-I97 HydrophobicContact CG2-CD1 3.95Å; L82-I97 HydrophobicContact CD1-CD1 3.55Å; L82-I97 HydrophobicContact CD2-CD1 4.05Å; L82-I97 HydrophobicContact CG-CD1 3.92Å; G93-I97 VanDerWaalsContact O-CG1 3.31Å; G93-I97 WeakPolarHBondContact O-CG1 3.29Å; G93-I97 PolarHBondContact O-N 3.33Å; G93-I97 VanDerWaalsContact O-N 3.12Å; I97-V99 VanDerWaalsContact C-N 3.26Å; I97-V99 PolarHBondContact O-N 2.92Å; I97-L100 PolarHBondContact O-N 3.19Å; I97-G101 PolarHBondContact O-N 3.35Å; I97-T111 HydrophobicContact CD1-CG2 4.24Å; I97-T111 HydrophobicContact CG2-CG2 3.87Å; I97-I137 HydrophobicContact CG2-CD1 3.85Å |
| 98 | S | 91.7 | Very high | 86.3 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 13% | 0.126 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -31.8 | 178.8 | -61.8 | 0 | 0 | 0 | 0 | 113.4 | Y94 L95 F96 C133 | Y94-S98 VanDerWaalsContact O-CB 3.25Å; Y94-S98 WeakPolarHBondContact O-CB 3.49Å; Y94-S98 PolarHBondContact O-N 3.12Å; Y94-S98 PolarHBondContact O-OG 3.1Å; L95-S98 PolarHBondContact O-N 3.41Å; F96-S98 VanDerWaalsContact C-N 3.34Å; F96-S98 PolarHBondContact O-N 3.35Å; S98-C133 WeakPolarHBondContact OG-CA 3.1Å |
| 99 | V | 88.6 | Confident | 86.1 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -84.2 | -39 | -177.8 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | L62 F65 L66 L95 F96 I97 | L62-V99 HydrophobicContact CD1-CB 3.86Å; L62-V99 HydrophobicContact CD1-CG1 3.77Å; L62-V99 HydrophobicContact CD1-CG2 4.17Å; F65-V99 HydrophobicContact CD1-CG1 3.68Å; F65-V99 HydrophobicContact CE1-CG1 3.61Å; L66-V99 HydrophobicContact CD2-CG1 4.14Å; L95-V99 HydrophobicContact CD1-CG2 4.2Å; L95-V99 WeakPolarHBondContact O-CG2 3.43Å; L95-V99 PolarHBondContact O-N 2.83Å; L95-V99 VanDerWaalsContact O-N 3.13Å; F96-V99 PolarHBondContact O-N 3.36Å; I97-V99 VanDerWaalsContact C-N 3.26Å; I97-V99 PolarHBondContact O-N 2.92Å |
| 100 | L | 80.4 | Confident | 86 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.9 | -28.6 | -178.7 | -79.8 | 88.6 | 0 | 0 | 0 | 112.8 | L62 F65 H75 F96 I97 S102 | L62-L100 HydrophobicContact CD1-CD1 4.48Å; F65-L100 HydrophobicContact CD1-CG 4.5Å; F65-L100 HydrophobicContact CD2-CG 4.38Å; F65-L100 HydrophobicContact CE1-CG 4.43Å; F65-L100 HydrophobicContact CE2-CG 4.31Å; F65-L100 HydrophobicContact CG-CG 4.47Å; F65-L100 HydrophobicContact CZ-CG 4.33Å; H75-L100 VanDerWaalsContact NE2-CD2 3.25Å; H75-L100 WeakPolarHBondContact NE2-CD2 3.36Å; F96-L100 HydrophobicContact CD1-CD1 3.69Å; F96-L100 HydrophobicContact CD2-CD1 4.01Å; F96-L100 HydrophobicContact CE1-CD1 3.54Å; F96-L100 HydrophobicContact CE1-CD2 3.86Å; F96-L100 HydrophobicContact CE1-CG 4.31Å; F96-L100 HydrophobicContact CE2-CD1 3.85Å; F96-L100 HydrophobicContact CG-CD1 3.93Å; F96-L100 HydrophobicContact CZ-CD1 3.61Å; F96-L100 HydrophobicContact CZ-CD2 3.91Å; F96-L100 HydrophobicContact CZ-CG 4.45Å; F96-L100 WeakPolarHBondContact O-CD1 3.2Å; F96-L100 PolarHBondContact O-N 3.39Å; F96-L100 VanDerWaalsContact O-N 3.14Å; I97-L100 PolarHBondContact O-N 3.19Å; L100-S102 PolarHBondContact O-N 3.38Å; L100-S102 PolarHBondContact O-OG 2.92Å |
| 101 | G | 67.8 | Low | 85.8 | Confident | 38 Ų | 38 | 46 Ų | 46 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | trans | 63.1 | -18.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | I97 | I97-G101 PolarHBondContact O-N 3.35Š| ||
| 102 | S | 64.8 | Low | 85.7 | Confident | 51 Ų | 51 | 43.6 Ų | 43.6 | 36% | 0.357 | 24% | 0.237 | S | C | . | . | trans | -126.7 | 86.8 | -172.5 | 46.3 | 0 | 0 | 0 | 0 | 108.3 | L100 | L100-S102 PolarHBondContact O-N 3.38Å; L100-S102 PolarHBondContact O-OG 2.92Å | ||
| 103 | C | 63.7 | Low | 85.7 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | trans | -94.1 | 150.2 | 171.9 | -73.1 | 0 | 0 | 0 | 0 | 109 | L107 M108 | C103-L107 HydrophobicContact CB-CB 3.71Å; C103-M108 HydrophobicContact CB-CE 4.44Å | ||
| 104 | S | 70.7 | Confident | 85.7 | Confident | 61 Ų | 61 | 48.6 Ų | 48.6 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | trans | -55.5 | 156.6 | 165.9 | 66.3 | 0 | 0 | 0 | 0 | 110.4 | E106 L107 M108 | S104-E106 PolarHBondContact O-N 3.26Å; S104-E106 VanDerWaalsContact O-N 3.08Å; S104-L107 PolarHBondContact O-N 3.07Å; S104-L107 WeakPolarHBondContact OG-CD1 3.38Å; S104-L107 WeakPolarHBondContact OG-CG 3.13Å; S104-L107 PolarHBondContact OG-N 3.45Å; S104-M108 PolarHBondContact O-N 3.49Å | ||
| 105 | N | 77.7 | Confident | 85.7 | Confident | 145 Ų | 145 | 48.4 Ų | 48.4 | 78% | 0.775 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -51.8 | -36.7 | 179.9 | -74.1 | -13.9 | 0 | 0 | 0 | 112.8 | R109 | N105-R109 PolarHBondContact O-N 3.11Å; N105-R109 VanDerWaalsContact O-N 3.12Å |
| 106 | E | 83.5 | Confident | 85.8 | Confident | 125 Ų | 125 | 48.3 Ų | 48.3 | 58% | 0.584 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.8 | -48.1 | 177.1 | -175.4 | 177.4 | -168.7 | 0 | 0 | 112.7 | S104 M108 R109 L110 | S104-E106 PolarHBondContact O-N 3.26Å; S104-E106 VanDerWaalsContact O-N 3.08Å; E106-M108 VanDerWaalsContact C-N 3.3Å; E106-M108 PolarHBondContact O-N 2.93Å; E106-R109 WeakPolarHBondContact O-CB 3.46Å; E106-R109 PolarHBondContact O-N 3.16Å; E106-L110 PolarHBondContact O-N 3.1Å; E106-L110 VanDerWaalsContact O-N 3.12Å |
| 107 | L | 86.8 | Confident | 86 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 178.8 | -73.2 | 170.2 | 0 | 0 | 0 | 111.4 | H75 M76 V79 C103 S104 L110 T111 | H75-L107 HydrophobicContact CB-CD1 3.5Å; H75-L107 HydrophobicContact CB-CD2 4.29Å; M76-L107 HydrophobicContact CB-CD2 4.39Å; M76-L107 HydrophobicContact SD-CD2 3.96Å; V79-L107 HydrophobicContact CG2-CD2 3.97Å; C103-L107 HydrophobicContact CB-CB 3.71Å; S104-L107 PolarHBondContact O-N 3.07Å; S104-L107 WeakPolarHBondContact OG-CD1 3.38Å; S104-L107 WeakPolarHBondContact OG-CG 3.13Å; S104-L107 PolarHBondContact OG-N 3.45Å; L107-L110 PolarHBondContact O-N 2.65Å; L107-T111 WeakPolarHBondContact O-CB 3.26Å; L107-T111 PolarHBondContact O-N 2.89Å; L107-T111 PolarHBondContact O-OG1 3.27Å |
| 108 | M | 88.7 | Confident | 86.2 | Confident | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 174 | -174 | 56.7 | 73.3 | 0 | 0 | 111 | C103 S104 E106 L110 T111 I112 I137 E141 M142 | C103-M108 HydrophobicContact CB-CE 4.44Å; S104-M108 PolarHBondContact O-N 3.49Å; E106-M108 VanDerWaalsContact C-N 3.3Å; E106-M108 PolarHBondContact O-N 2.93Å; M108-L110 PolarHBondContact O-N 3.32Å; M108-T111 WeakPolarHBondContact O-CB 3.36Å; M108-T111 PolarHBondContact O-N 3.06Å; M108-I112 HydrophobicContact CG-CD1 3.97Å; M108-I112 WeakPolarHBondContact O-CG1 3.49Å; M108-I112 PolarHBondContact O-N 3.46Å; M108-I112 HydrophobicContact SD-CD1 4.32Å; M108-I112 HydrophobicContact SD-CG1 4.38Å; M108-I137 HydrophobicContact CE-CG2 4.08Å; M108-E141 HydrophobicContact CG-CB 4.49Å; M108-M142 HydrophobicContact SD-CE 3.44Å; M108-M142 WeakPolarHBondContact SD-CE 3.44Å |
| 109 | R | 90.3 | Very high | 86.4 | Confident | 165 Ų | 165 | 52.5 Ų | 52.5 | 62% | 0.623 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.3 | -44.7 | 177.4 | -176.2 | -176.8 | 62.1 | 144.6 | -1.5 | 112.6 | N105 E106 T111 I112 Q113 | N105-R109 PolarHBondContact O-N 3.11Å; N105-R109 VanDerWaalsContact O-N 3.12Å; E106-R109 WeakPolarHBondContact O-CB 3.46Å; E106-R109 PolarHBondContact O-N 3.16Å; R109-T111 VanDerWaalsContact C-N 3.33Å; R109-I112 PolarHBondContact O-N 2.76Å; R109-Q113 PolarHBondContact O-N 3.38Å |
| 110 | L | 92.1 | Very high | 86.6 | Confident | 51 Ų | 51 | 57 Ų | 57 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.2 | -36.4 | 177.5 | -66.8 | 174.9 | 0 | 0 | 0 | 112.4 | M76 V79 E106 L107 M108 Q113 S114 | M76-L110 HydrophobicContact CE-CD1 3.74Å; M76-L110 HydrophobicContact SD-CD1 3.83Å; V79-L110 HydrophobicContact CG1-CB 3.82Å; E106-L110 PolarHBondContact O-N 3.1Å; E106-L110 VanDerWaalsContact O-N 3.12Å; L107-L110 PolarHBondContact O-N 2.65Å; M108-L110 PolarHBondContact O-N 3.32Å; L110-Q113 PolarHBondContact O-N 3.3Å; L110-S114 PolarHBondContact O-N 3.24Å; L110-S114 PolarHBondContact O-OG 3.34Å |
| 111 | T | 92.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -48.6 | 175.2 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | L82 I97 L107 M108 R109 Q113 S114 I115 M142 | L82-T111 HydrophobicContact CD1-CG2 4.27Å; I97-T111 HydrophobicContact CD1-CG2 4.24Å; I97-T111 HydrophobicContact CG2-CG2 3.87Å; L107-T111 WeakPolarHBondContact O-CB 3.26Å; L107-T111 PolarHBondContact O-N 2.89Å; L107-T111 PolarHBondContact O-OG1 3.27Å; M108-T111 WeakPolarHBondContact O-CB 3.36Å; M108-T111 PolarHBondContact O-N 3.06Å; R109-T111 VanDerWaalsContact C-N 3.33Å; T111-Q113 VanDerWaalsContact C-N 3.31Å; T111-Q113 PolarHBondContact O-N 3.04Å; T111-S114 PolarHBondContact O-N 3.49Å; T111-S114 VanDerWaalsContact O-N 3.12Å; T111-I115 HydrophobicContact CG2-CD1 3.84Å; T111-I115 HydrophobicContact CG2-CG1 4.42Å; T111-I115 VanDerWaalsContact O-CG1 3.32Å; T111-I115 WeakPolarHBondContact O-CG1 3.43Å; T111-I115 PolarHBondContact O-N 3.47Å; T111-M142 HydrophobicContact CG2-CE 4.24Å |
| 112 | I | 94 | Very high | 88.3 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 12% | 0.118 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.2 | -44.6 | 176.2 | -71.3 | 169.9 | 0 | 0 | 0 | 110.6 | M108 R109 S114 I115 K116 E141 M142 A145 F146 | M108-I112 HydrophobicContact CG-CD1 3.97Å; M108-I112 WeakPolarHBondContact O-CG1 3.49Å; M108-I112 PolarHBondContact O-N 3.46Å; M108-I112 HydrophobicContact SD-CD1 4.32Å; M108-I112 HydrophobicContact SD-CG1 4.38Å; R109-I112 PolarHBondContact O-N 2.76Å; I112-S114 VanDerWaalsContact C-N 3.33Å; I112-S114 PolarHBondContact O-N 3.05Å; I112-I115 PolarHBondContact O-N 2.97Å; I112-K116 HydrophobicContact CG2-CD 4.48Å; I112-K116 WeakPolarHBondContact O-CG 3.34Å; I112-K116 PolarHBondContact O-N 3.33Å; I112-E141 HydrophobicContact CD1-CB 4.02Å; I112-M142 HydrophobicContact CG1-CE 3.99Å; I112-M142 HydrophobicContact CG1-SD 4.08Å; I112-A145 HydrophobicContact CD1-CB 4.47Å; I112-A145 HydrophobicContact CG2-CB 3.81Å; I112-F146 HydrophobicContact CB-CZ 4.42Å; I112-F146 HydrophobicContact CG1-CE2 4.28Å; I112-F146 HydrophobicContact CG2-CE2 4.2Å; I112-F146 HydrophobicContact CG2-CZ 3.87Å |
| 113 | Q | 94.9 | Very high | 89.7 | Confident | 101 Ų | 101 | 68.9 Ų | 68.9 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 177.3 | -173.1 | 57.9 | 47.7 | 0 | 0 | 112.4 | R109 L110 T111 K116 N117 | R109-Q113 PolarHBondContact O-N 3.38Å; L110-Q113 PolarHBondContact O-N 3.3Å; T111-Q113 VanDerWaalsContact C-N 3.31Å; T111-Q113 PolarHBondContact O-N 3.04Å; Q113-K116 PolarHBondContact O-N 3.02Å; Q113-N117 PolarHBondContact NE2-OD1 3.41Å; Q113-N117 PolarHBondContact O-N 3.38Å; Q113-N117 PolarHBondContact O-OD1 2.97Å |
| 114 | S | 95.5 | Very high | 91.1 | Very high | 24 Ų | 24 | 69.9 Ų | 69.9 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 177.4 | -56 | 0 | 0 | 0 | 0 | 111.8 | L110 T111 I112 N117 D118 | L110-S114 PolarHBondContact O-N 3.24Å; L110-S114 PolarHBondContact O-OG 3.34Å; T111-S114 PolarHBondContact O-N 3.49Å; T111-S114 VanDerWaalsContact O-N 3.12Å; I112-S114 VanDerWaalsContact C-N 3.33Å; I112-S114 PolarHBondContact O-N 3.05Å; S114-N117 PolarHBondContact O-N 2.96Å; S114-D118 PolarHBondContact O-N 3.05Å; S114-D118 VanDerWaalsContact O-N 3.1Å |
| 115 | I | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.2 | -71.9 | 170.2 | 0 | 0 | 0 | 110.5 | Y94 T111 I112 N117 D118 L119 A130 I134 M142 F146 | Y94-I115 HydrophobicContact CE1-CD1 4.45Å; Y94-I115 HydrophobicContact CE1-CG1 3.71Å; T111-I115 HydrophobicContact CG2-CD1 3.84Å; T111-I115 HydrophobicContact CG2-CG1 4.42Å; T111-I115 VanDerWaalsContact O-CG1 3.32Å; T111-I115 WeakPolarHBondContact O-CG1 3.43Å; T111-I115 PolarHBondContact O-N 3.47Å; I112-I115 PolarHBondContact O-N 2.97Å; I115-N117 VanDerWaalsContact C-N 3.3Å; I115-N117 PolarHBondContact O-N 2.85Å; I115-D118 PolarHBondContact O-N 3.49Å; I115-D118 VanDerWaalsContact O-N 3.08Å; I115-L119 HydrophobicContact CG2-CD1 4.1Å; I115-L119 HydrophobicContact CG2-CG 4.14Å; I115-L119 WeakPolarHBondContact O-CG 3.07Å; I115-L119 PolarHBondContact O-N 2.92Å; I115-A130 HydrophobicContact CG2-CB 4.09Å; I115-I134 HydrophobicContact CD1-CG1 4.13Å; I115-I134 HydrophobicContact CG2-CD1 3.62Å; I115-I134 HydrophobicContact CG2-CG1 3.82Å; I115-M142 HydrophobicContact CD1-CE 3.81Å; I115-M142 HydrophobicContact CD1-SD 4.12Å; I115-F146 HydrophobicContact CB-CE1 4.28Å; I115-F146 HydrophobicContact CB-CE2 4.32Å; I115-F146 HydrophobicContact CB-CZ 3.66Å; I115-F146 HydrophobicContact CD1-CE2 4.46Å; I115-F146 HydrophobicContact CG2-CD1 4.3Å; I115-F146 HydrophobicContact CG2-CD2 4.47Å; I115-F146 HydrophobicContact CG2-CE1 3.5Å; I115-F146 HydrophobicContact CG2-CE2 3.73Å; I115-F146 HydrophobicContact CG2-CZ 3.19Å |
| 116 | K | 96.6 | Very high | 93.1 | Very high | 77 Ų | 77 | 63.3 Ų | 63.3 | 34% | 0.335 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.6 | -46.1 | 176.6 | -76.7 | -179.2 | 177.7 | -176.8 | 0 | 112 | I112 Q113 D118 L119 Q120 F146 | I112-K116 HydrophobicContact CG2-CD 4.48Å; I112-K116 WeakPolarHBondContact O-CG 3.34Å; I112-K116 PolarHBondContact O-N 3.33Å; Q113-K116 PolarHBondContact O-N 3.02Å; K116-D118 VanDerWaalsContact C-N 3.32Å; K116-D118 PolarHBondContact O-N 3.12Å; K116-L119 PolarHBondContact O-N 3.39Å; K116-Q120 WeakPolarHBondContact O-CG 3.26Å; K116-Q120 PolarHBondContact O-N 3.37Å; K116-F146 HydrophobicContact CG-CE1 3.55Å; K116-F146 HydrophobicContact CG-CZ 4.04Å |
| 117 | N | 96.2 | Very high | 93.8 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 178 | -64.9 | -11.2 | 0 | 0 | 0 | 111.9 | Q113 S114 I115 S121 | Q113-N117 PolarHBondContact NE2-OD1 3.41Å; Q113-N117 PolarHBondContact O-N 3.38Å; Q113-N117 PolarHBondContact O-OD1 2.97Å; S114-N117 PolarHBondContact O-N 2.96Å; I115-N117 VanDerWaalsContact C-N 3.3Å; I115-N117 PolarHBondContact O-N 2.85Å; N117-S121 PolarHBondContact O-N 3.14Å |
| 118 | D | 96.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75.2 | -33.3 | 179.9 | -83.1 | -25.6 | 0 | 0 | 0 | 113.4 | K90 Y94 S114 I115 K116 Q120 S121 H126 V127 A130 | K90-D118 IonicContact NZ-OD1 2.82Å; K90-D118 PolarHBondContact NZ-OD1 2.97Å; K90-D118 IonicContact NZ-OD2 3.57Å; K90-D118 PolarHBondContact NZ-OD2 2.79Å; Y94-D118 VanDerWaalsContact CE2-OD2 3.3Å; Y94-D118 WeakPolarHBondContact CE2-OD2 3.45Å; Y94-D118 PolarHBondContact OH-OD2 2.98Å; S114-D118 PolarHBondContact O-N 3.05Å; S114-D118 VanDerWaalsContact O-N 3.1Å; I115-D118 PolarHBondContact O-N 3.49Å; I115-D118 VanDerWaalsContact O-N 3.08Å; K116-D118 VanDerWaalsContact C-N 3.32Å; K116-D118 PolarHBondContact O-N 3.12Å; D118-Q120 PolarHBondContact O-N 2.87Å; D118-S121 WeakPolarHBondContact O-CB 3.33Å; D118-S121 PolarHBondContact O-N 3.22Å; D118-S121 VanDerWaalsContact O-N 3.15Å; D118-H126 HydrophobicContact CB-CB 4.28Å; D118-H126 IonicContact OD1-CG 3.65Å; D118-H126 IonicContact OD1-ND1 2.74Å; D118-V127 WeakPolarHBondContact O-CG2 3.3Å; D118-A130 HydrophobicContact CB-CB 3.99Å |
| 119 | L | 96.2 | Very high | 94.6 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -29.9 | 173.2 | -69.5 | -176.2 | 0 | 0 | 0 | 112.2 | I115 K116 S121 V127 A130 L131 I134 F146 E149 I150 L153 | I115-L119 HydrophobicContact CG2-CD1 4.1Å; I115-L119 HydrophobicContact CG2-CG 4.14Å; I115-L119 WeakPolarHBondContact O-CG 3.07Å; I115-L119 PolarHBondContact O-N 2.92Å; K116-L119 PolarHBondContact O-N 3.39Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-V127 HydrophobicContact CD2-CG1 4Å; L119-A130 HydrophobicContact CD2-CB 3.78Å; L119-A130 HydrophobicContact CG-CB 4.19Å; L119-L131 HydrophobicContact CD2-CD2 4.01Å; L119-L131 HydrophobicContact CD2-CG 3.99Å; L119-I134 HydrophobicContact CD1-CD1 4.04Å; L119-F146 HydrophobicContact CD1-CD1 3.57Å; L119-F146 HydrophobicContact CD1-CE1 3.83Å; L119-F146 HydrophobicContact CD1-CG 4.44Å; L119-E149 WeakPolarHBondContact CB-OE1 3.23Å; L119-E149 HydrophobicContact CD1-CG 4.36Å; L119-E149 WeakPolarHBondContact CD1-OE2 3.49Å; L119-I150 HydrophobicContact CD1-CD1 4.08Å; L119-L153 HydrophobicContact CB-CD1 4.46Å; L119-L153 HydrophobicContact CD1-CD1 4.47Å; L119-L153 HydrophobicContact CD2-CD1 3.89Å |
| 120 | Q | 93.7 | Very high | 94.9 | Very high | 148 Ų | 148 | 49.5 Ų | 49.5 | 69% | 0.692 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -1.3 | 175 | -65 | 178.8 | -6.8 | 0 | 0 | 113.5 | K116 D118 | K116-Q120 WeakPolarHBondContact O-CG 3.26Å; K116-Q120 PolarHBondContact O-N 3.37Å; D118-Q120 PolarHBondContact O-N 2.87Å |
| 121 | S | 92.3 | Very high | 95.1 | Very high | 38 Ų | 38 | 47 Ų | 47 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | trans | -71 | 142.6 | -179.6 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | N117 D118 L119 N123 | N117-S121 PolarHBondContact O-N 3.14Å; D118-S121 WeakPolarHBondContact O-CB 3.33Å; D118-S121 PolarHBondContact O-N 3.22Å; D118-S121 VanDerWaalsContact O-N 3.15Å; L119-S121 VanDerWaalsContact C-N 3.33Å; S121-N123 PolarHBondContact O-N 2.64Å; S121-N123 PolarHBondContact OG-N 2.91Å; S121-N123 VanDerWaalsContact OG-N 3.09Å | ||
| 122 | R | 90.6 | Very high | 95.2 | Very high | 251 Ų | 251 | 51.2 Ų | 51.2 | 95% | 0.947 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -69.5 | -9.7 | 168.8 | -64 | -176.9 | -178.5 | 176.6 | -0.1 | 113.1 | P124 | R122-P124 VanDerWaalsContact O-CD 3.32Å; R122-P124 WeakPolarHBondContact O-CD 3.16Å |
| 123 | N | 93.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | trans | -89.3 | 107.9 | 177.8 | -173.5 | -15.9 | 0 | 0 | 0 | 110.5 | S121 V125 H126 V127 | S121-N123 PolarHBondContact O-N 2.64Å; S121-N123 PolarHBondContact OG-N 2.91Å; S121-N123 VanDerWaalsContact OG-N 3.09Å; N123-V125 PolarHBondContact O-N 3.3Å; N123-V125 VanDerWaalsContact O-N 3.13Å; N123-V125 WeakPolarHBondContact OD1-CB 3.22Å; N123-V125 PolarHBondContact OD1-N 2.77Å; N123-H126 HydrophobicContact CB-CB 4.3Å; N123-H126 PolarHBondContact ND2-CD2 3.04Å; N123-H126 PolarHBondContact ND2-NE2 2.89Å; N123-H126 WeakPolarHBondContact O-CB 3.45Å; N123-H126 PolarHBondContact O-N 3.22Å; N123-V127 PolarHBondContact O-N 2.9Å | ||
| 124 | P | 94.1 | Very high | 95.3 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.7 | -22.3 | -176.5 | 29.1 | -37.1 | 0 | 0 | 0 | 112.9 | R122 N128 I160 F162 V163 | R122-P124 VanDerWaalsContact O-CD 3.32Å; R122-P124 WeakPolarHBondContact O-CD 3.16Å; P124-N128 WeakPolarHBondContact O-CB 3.39Å; P124-N128 PolarHBondContact O-N 3.11Å; P124-I160 HydrophobicContact CB-CG2 3.79Å; P124-I160 HydrophobicContact CG-CG2 4.43Å; P124-F162 HydrophobicContact CB-CE1 4.28Å; P124-F162 HydrophobicContact CB-CE2 4.36Å; P124-F162 HydrophobicContact CB-CZ 3.65Å; P124-F162 HydrophobicContact CG-CZ 4.05Å; P124-F162 WeakPolarHBondContact O-CE2 3.42Å; P124-V163 HydrophobicContact CB-CG2 3.73Å |
| 125 | V | 94.9 | Very high | 95.1 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 33% | 0.327 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | Y87 N123 N128 L129 | Y87-V125 HydrophobicContact CD2-CG1 3.35Å; Y87-V125 HydrophobicContact CE2-CG1 3.33Å; Y87-V125 HydrophobicContact CG-CG1 4.43Å; N123-V125 PolarHBondContact O-N 3.3Å; N123-V125 VanDerWaalsContact O-N 3.13Å; N123-V125 WeakPolarHBondContact OD1-CB 3.22Å; N123-V125 PolarHBondContact OD1-N 2.77Å; V125-N128 PolarHBondContact O-N 3.47Å; V125-L129 WeakPolarHBondContact O-CG 3.41Å; V125-L129 PolarHBondContact O-N 3.32Å |
| 126 | H | 95.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 6% | 0.06 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.8 | -45.2 | 176.9 | -67.2 | -171 | 0 | 0 | 0 | 110.8 | K90 D118 N123 N128 L129 A130 | K90-H126 HydrophobicContact CD-CB 4.42Å; K90-H126 VanDerWaalsContact CE-CE1 3.5Å; K90-H126 WeakPolarHBondContact CE-CE1 3.28Å; D118-H126 HydrophobicContact CB-CB 4.28Å; D118-H126 IonicContact OD1-CG 3.65Å; D118-H126 IonicContact OD1-ND1 2.74Å; N123-H126 HydrophobicContact CB-CB 4.3Å; N123-H126 PolarHBondContact ND2-CD2 3.04Å; N123-H126 PolarHBondContact ND2-NE2 2.89Å; N123-H126 WeakPolarHBondContact O-CB 3.45Å; N123-H126 PolarHBondContact O-N 3.22Å; H126-N128 PolarHBondContact O-N 2.84Å; H126-L129 PolarHBondContact O-N 2.67Å; H126-A130 PolarHBondContact O-N 2.99Å |
| 127 | V | 96.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.5 | -44.7 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 110 | D118 L119 N123 A130 L131 L153 V163 | D118-V127 WeakPolarHBondContact O-CG2 3.3Å; L119-V127 HydrophobicContact CD2-CG1 4Å; N123-V127 PolarHBondContact O-N 2.9Å; V127-A130 WeakPolarHBondContact O-CB 3.36Å; V127-A130 PolarHBondContact O-N 3.28Å; V127-L131 HydrophobicContact CG1-CD1 4.03Å; V127-L131 HydrophobicContact CG1-CG 4.4Å; V127-L131 VanDerWaalsContact O-CG 3.29Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 3.44Å; V127-L153 HydrophobicContact CG1-CD1 4.37Å; V127-V163 HydrophobicContact CG1-CG1 3.83Å |
| 128 | N | 95.9 | Very high | 94.1 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 179.5 | -179.8 | 71.5 | 0 | 0 | 0 | 113.9 | P124 V125 H126 A130 L131 Q132 F162 S166 | P124-N128 WeakPolarHBondContact O-CB 3.39Å; P124-N128 PolarHBondContact O-N 3.11Å; V125-N128 PolarHBondContact O-N 3.47Å; H126-N128 PolarHBondContact O-N 2.84Å; N128-A130 VanDerWaalsContact C-N 3.3Å; N128-A130 PolarHBondContact O-N 3.2Å; N128-L131 PolarHBondContact O-N 3.05Å; N128-Q132 PolarHBondContact ND2-NE2 3.45Å; N128-Q132 VanDerWaalsContact ND2-NE2 3.14Å; N128-Q132 WeakPolarHBondContact O-CB 3.21Å; N128-Q132 VanDerWaalsContact O-CG 3.27Å; N128-Q132 WeakPolarHBondContact O-CG 3.16Å; N128-Q132 PolarHBondContact O-N 3.46Å; N128-F162 HydrophobicContact CB-CD2 3.95Å; N128-F162 HydrophobicContact CB-CE2 3.6Å; N128-S166 VanDerWaalsContact OD1-CB 3.31Å; N128-S166 WeakPolarHBondContact OD1-CB 3.45Å; N128-S166 PolarHBondContact OD1-OG 2.75Å |
| 129 | L | 96.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 174 | -72 | 174.1 | 0 | 0 | 0 | 111.4 | Y87 K90 Q91 Y94 V125 H126 Q132 C133 | Y87-L129 HydrophobicContact CD2-CD1 3.9Å; Y87-L129 HydrophobicContact CE2-CD1 3.82Å; Y87-L129 HydrophobicContact CE2-CD2 4.24Å; Y87-L129 HydrophobicContact CE2-CG 4.24Å; K90-L129 HydrophobicContact CB-CD1 4.48Å; K90-L129 HydrophobicContact CD-CD1 4.03Å; K90-L129 HydrophobicContact CG-CD1 4.09Å; Q91-L129 HydrophobicContact CB-CD1 4.33Å; Q91-L129 HydrophobicContact CB-CD2 4.27Å; Q91-L129 HydrophobicContact CG-CD2 4.12Å; Y94-L129 HydrophobicContact CD2-CB 3.52Å; Y94-L129 HydrophobicContact CD2-CD1 4.19Å; Y94-L129 HydrophobicContact CD2-CG 4.39Å; Y94-L129 HydrophobicContact CE2-CB 3.84Å; Y94-L129 HydrophobicContact CG-CB 4.24Å; V125-L129 WeakPolarHBondContact O-CG 3.41Å; V125-L129 PolarHBondContact O-N 3.32Å; H126-L129 PolarHBondContact O-N 2.67Å; L129-Q132 PolarHBondContact O-N 2.79Å; L129-C133 WeakPolarHBondContact O-CB 3.5Å; L129-C133 PolarHBondContact O-N 3.42Å |
| 130 | A | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -50.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I115 D118 L119 H126 V127 N128 Q132 C133 I134 | I115-A130 HydrophobicContact CG2-CB 4.09Å; D118-A130 HydrophobicContact CB-CB 3.99Å; L119-A130 HydrophobicContact CD2-CB 3.78Å; L119-A130 HydrophobicContact CG-CB 4.19Å; H126-A130 PolarHBondContact O-N 2.99Å; V127-A130 WeakPolarHBondContact O-CB 3.36Å; V127-A130 PolarHBondContact O-N 3.28Å; N128-A130 VanDerWaalsContact C-N 3.3Å; N128-A130 PolarHBondContact O-N 3.2Å; A130-Q132 VanDerWaalsContact C-N 3.34Å; A130-Q132 PolarHBondContact O-N 3.09Å; A130-C133 WeakPolarHBondContact O-CB 3.41Å; A130-C133 PolarHBondContact O-N 2.73Å; A130-C133 VanDerWaalsContact O-N 3.12Å; A130-I134 VanDerWaalsContact O-CG1 3.31Å; A130-I134 WeakPolarHBondContact O-CG1 3.18Å; A130-I134 PolarHBondContact O-N 2.86Å |
| 131 | L | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 177 | -71 | 170.4 | 0 | 0 | 0 | 113 | L119 V127 N128 C133 I134 S135 I150 L153 V163 S167 C170 | L119-L131 HydrophobicContact CD2-CD2 4.01Å; L119-L131 HydrophobicContact CD2-CG 3.99Å; V127-L131 HydrophobicContact CG1-CD1 4.03Å; V127-L131 HydrophobicContact CG1-CG 4.4Å; V127-L131 VanDerWaalsContact O-CG 3.29Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 3.44Å; N128-L131 PolarHBondContact O-N 3.05Å; L131-C133 VanDerWaalsContact C-N 3.34Å; L131-I134 PolarHBondContact O-N 2.82Å; L131-S135 WeakPolarHBondContact O-CB 3.28Å; L131-S135 PolarHBondContact O-N 2.96Å; L131-S135 PolarHBondContact O-OG 2.68Å; L131-I150 HydrophobicContact CD2-CD1 3.53Å; L131-I150 HydrophobicContact CD2-CG2 4.41Å; L131-L153 HydrophobicContact CD2-CD1 4.34Å; L131-V163 HydrophobicContact CD1-CG1 4.18Å; L131-S167 WeakPolarHBondContact CD1-OG 3.19Å; L131-C170 HydrophobicContact CD2-CB 4.27Å |
| 132 | Q | 95.2 | Very high | 92.9 | Very high | 88 Ų | 88 | 43.8 Ų | 43.8 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.1 | -73.6 | 176.6 | -4.8 | 0 | 0 | 111.4 | N128 L129 A130 S135 N136 | N128-Q132 PolarHBondContact ND2-NE2 3.45Å; N128-Q132 VanDerWaalsContact ND2-NE2 3.14Å; N128-Q132 WeakPolarHBondContact O-CB 3.21Å; N128-Q132 VanDerWaalsContact O-CG 3.27Å; N128-Q132 WeakPolarHBondContact O-CG 3.16Å; N128-Q132 PolarHBondContact O-N 3.46Å; L129-Q132 PolarHBondContact O-N 2.79Å; A130-Q132 VanDerWaalsContact C-N 3.34Å; A130-Q132 PolarHBondContact O-N 3.09Å; Q132-S135 PolarHBondContact O-N 2.72Å; Q132-N136 PolarHBondContact O-N 2.97Å; Q132-N136 PolarHBondContact O-ND2 3.45Å; Q132-N136 VanDerWaalsContact O-ND2 3.15Å |
| 133 | C | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64 | -46.9 | 177.4 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | Y94 S98 L129 A130 L131 S135 N136 I137 | Y94-C133 HydrophobicContact CD1-CB 3.41Å; Y94-C133 VanDerWaalsContact CD1-CB 3.41Å; Y94-C133 HydrophobicContact CE1-CB 3.94Å; Y94-C133 HydrophobicContact CG-CB 4.26Å; S98-C133 WeakPolarHBondContact OG-CA 3.1Å; L129-C133 WeakPolarHBondContact O-CB 3.5Å; L129-C133 PolarHBondContact O-N 3.42Å; A130-C133 WeakPolarHBondContact O-CB 3.41Å; A130-C133 PolarHBondContact O-N 2.73Å; A130-C133 VanDerWaalsContact O-N 3.12Å; L131-C133 VanDerWaalsContact C-N 3.34Å; C133-S135 VanDerWaalsContact C-N 3.27Å; C133-S135 PolarHBondContact O-N 2.61Å; C133-N136 PolarHBondContact O-N 2.85Å; C133-I137 WeakPolarHBondContact O-CG1 3.45Å; C133-I137 PolarHBondContact O-N 2.57Å; C133-I137 VanDerWaalsContact SG-CD1 3.52Å |
| 134 | I | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.3 | -46.2 | 174.9 | -63.2 | 165.9 | 0 | 0 | 0 | 110.3 | I115 L119 A130 L131 N136 I137 G138 M142 F146 I150 C170 L174 | I115-I134 HydrophobicContact CD1-CG1 4.13Å; I115-I134 HydrophobicContact CG2-CD1 3.62Å; I115-I134 HydrophobicContact CG2-CG1 3.82Å; L119-I134 HydrophobicContact CD1-CD1 4.04Å; A130-I134 VanDerWaalsContact O-CG1 3.31Å; A130-I134 WeakPolarHBondContact O-CG1 3.18Å; A130-I134 PolarHBondContact O-N 2.86Å; L131-I134 PolarHBondContact O-N 2.82Å; I134-N136 PolarHBondContact O-N 2.8Å; I134-I137 PolarHBondContact O-N 2.77Å; I134-G138 PolarHBondContact O-N 2.54Å; I134-M142 HydrophobicContact CG1-SD 4.4Å; I134-M142 HydrophobicContact CG2-CB 4.42Å; I134-F146 HydrophobicContact CD1-CB 4.32Å; I134-F146 HydrophobicContact CD1-CD1 4.28Å; I134-F146 HydrophobicContact CD1-CD2 3.85Å; I134-F146 HydrophobicContact CD1-CE2 4.28Å; I134-F146 HydrophobicContact CD1-CG 3.88Å; I134-F146 HydrophobicContact CG1-CD2 3.98Å; I134-F146 HydrophobicContact CG1-CE2 4.21Å; I134-F146 HydrophobicContact CG2-CD2 4.43Å; I134-I150 HydrophobicContact CD1-CD1 4.03Å; I134-C170 WeakPolarHBondContact CG2-SG 3.28Å; I134-L174 HydrophobicContact CG2-CD1 3.96Å; I134-L174 HydrophobicContact CG2-CD2 3.98Å; I134-L174 HydrophobicContact CG2-CG 4.34Å |
| 135 | S | 93 | Very high | 92.8 | Very high | 21 Ų | 21 | 33 Ų | 33 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | -179.8 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | L131 Q132 C133 C170 R173 | L131-S135 WeakPolarHBondContact O-CB 3.28Å; L131-S135 PolarHBondContact O-N 2.96Å; L131-S135 PolarHBondContact O-OG 2.68Å; Q132-S135 PolarHBondContact O-N 2.72Å; C133-S135 VanDerWaalsContact C-N 3.27Å; C133-S135 PolarHBondContact O-N 2.61Å; S135-C170 WeakPolarHBondContact OG-CA 3.47Å; S135-C170 WeakPolarHBondContact OG-CB 3.33Å; S135-C170 PolarHBondContact OG-SG 3.26Å; S135-R173 WeakPolarHBondContact O-CG 3.45Å |
| 136 | N | 90.9 | Very high | 92.8 | Very high | 104 Ų | 104 | 30.5 Ų | 30.5 | 56% | 0.556 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -71.6 | -38.9 | -178.8 | -72.2 | -34.5 | 0 | 0 | 0 | 112.4 | Q132 C133 I134 | Q132-N136 PolarHBondContact O-N 2.97Å; Q132-N136 PolarHBondContact O-ND2 3.45Å; Q132-N136 VanDerWaalsContact O-ND2 3.15Å; C133-N136 PolarHBondContact O-N 2.85Å; I134-N136 PolarHBondContact O-N 2.8Å |
| 137 | I | 90 | Very high | 92.5 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 10% | 0.097 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.6 | -53.8 | 178.8 | -64.8 | 168.3 | 0 | 0 | 0 | 110.6 | I97 M108 C133 I134 S139 M142 | I97-I137 HydrophobicContact CG2-CD1 3.85Å; M108-I137 HydrophobicContact CE-CG2 4.08Å; C133-I137 WeakPolarHBondContact O-CG1 3.45Å; C133-I137 PolarHBondContact O-N 2.57Å; C133-I137 VanDerWaalsContact SG-CD1 3.52Å; I134-I137 PolarHBondContact O-N 2.77Å; I137-S139 PolarHBondContact O-N 2.84Å; I137-S139 VanDerWaalsContact O-N 3.1Å; I137-M142 HydrophobicContact CB-CE 4.45Å; I137-M142 HydrophobicContact CB-CG 4.3Å; I137-M142 HydrophobicContact CD1-CE 3.54Å; I137-M142 HydrophobicContact CG2-CE 4.18Å; I137-M142 HydrophobicContact CG2-CG 3.84Å |
| 138 | G | 85.5 | Confident | 92.3 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 8% | 0.082 | 18% | 0.177 | C | C | . | . | trans | 52.9 | 31.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I134 | I134-G138 PolarHBondContact O-N 2.54Š| ||
| 139 | S | 87.4 | Confident | 92.1 | Very high | 26 Ų | 26 | 34.9 Ų | 34.9 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | trans | -79.8 | 169.8 | -179.8 | 81 | 0 | 0 | 0 | 0 | 112 | I137 E141 M142 C143 | I137-S139 PolarHBondContact O-N 2.84Å; I137-S139 VanDerWaalsContact O-N 3.1Å; S139-E141 VanDerWaalsContact C-N 3.34Å; S139-E141 WeakPolarHBondContact CB-OE2 3.4Å; S139-E141 PolarHBondContact OG-OE2 2.81Å; S139-M142 PolarHBondContact O-N 3.19Å; S139-M142 WeakPolarHBondContact OG-CG 3.44Å; S139-M142 PolarHBondContact OG-N 3.39Å; S139-C143 PolarHBondContact O-N 2.96Å; S139-C143 VanDerWaalsContact O-N 3.1Å; S139-C143 PolarHBondContact O-SG 2.65Å | ||
| 140 | K | 88.9 | Confident | 92.1 | Very high | 105 Ų | 105 | 34.5 Ų | 34.5 | 46% | 0.457 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.4 | -42 | 177.4 | -174 | -179.8 | 177.6 | -171.1 | 0 | 111.4 | M142 C143 E144 F181 | K140-M142 VanDerWaalsContact C-N 3.29Å; K140-M142 PolarHBondContact O-N 3.36Å; K140-C143 WeakPolarHBondContact O-CA 3.38Å; K140-C143 WeakPolarHBondContact O-CB 3.43Å; K140-C143 PolarHBondContact O-N 2.75Å; K140-E144 WeakPolarHBondContact CE-OE1 3.21Å; K140-E144 IonicContact NZ-OE1 2.68Å; K140-E144 WeakPolarHBondContact O-CG 3.44Å; K140-E144 PolarHBondContact O-N 3.28Å; K140-F181 HydrophobicContact CD-CE2 4.43Å; K140-F181 VanDerWaalsContact CE-CZ 3.44Å; K140-F181 HydrophobicContact CG-CE2 3.98Å; K140-F181 HydrophobicContact CG-CZ 4.3Å |
| 141 | E | 88.9 | Confident | 92 | Very high | 84 Ų | 84 | 34.5 Ų | 34.5 | 39% | 0.393 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.3 | -37.2 | 177.8 | -54.4 | 75.8 | -168.1 | 0 | 0 | 111.4 | M108 I112 S139 A145 | M108-E141 HydrophobicContact CG-CB 4.49Å; I112-E141 HydrophobicContact CD1-CB 4.02Å; S139-E141 VanDerWaalsContact C-N 3.34Å; S139-E141 WeakPolarHBondContact CB-OE2 3.4Å; S139-E141 PolarHBondContact OG-OE2 2.81Å; E141-A145 WeakPolarHBondContact O-CB 3.5Å; E141-A145 PolarHBondContact O-N 3.23Å |
| 142 | M | 90.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 173.1 | -69 | -67.6 | 175.1 | 0 | 0 | 111.7 | M108 T111 I112 I115 I134 I137 S139 K140 F146 | M108-M142 HydrophobicContact SD-CE 3.44Å; M108-M142 WeakPolarHBondContact SD-CE 3.44Å; T111-M142 HydrophobicContact CG2-CE 4.24Å; I112-M142 HydrophobicContact CG1-CE 3.99Å; I112-M142 HydrophobicContact CG1-SD 4.08Å; I115-M142 HydrophobicContact CD1-CE 3.81Å; I115-M142 HydrophobicContact CD1-SD 4.12Å; I134-M142 HydrophobicContact CG1-SD 4.4Å; I134-M142 HydrophobicContact CG2-CB 4.42Å; I137-M142 HydrophobicContact CB-CE 4.45Å; I137-M142 HydrophobicContact CB-CG 4.3Å; I137-M142 HydrophobicContact CD1-CE 3.54Å; I137-M142 HydrophobicContact CG2-CE 4.18Å; I137-M142 HydrophobicContact CG2-CG 3.84Å; S139-M142 PolarHBondContact O-N 3.19Å; S139-M142 WeakPolarHBondContact OG-CG 3.44Å; S139-M142 PolarHBondContact OG-N 3.39Å; K140-M142 VanDerWaalsContact C-N 3.29Å; K140-M142 PolarHBondContact O-N 3.36Å; M142-F146 WeakPolarHBondContact O-CB 3.37Å; M142-F146 WeakPolarHBondContact O-CD2 3.4Å; M142-F146 PolarHBondContact O-N 2.88Å; M142-F146 HydrophobicContact SD-CD2 3.97Å; M142-F146 HydrophobicContact SD-CE2 3.58Å; M142-F146 VanDerWaalsContact SD-CE2 3.58Å |
| 143 | C | 91.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -46.8 | 176.7 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | S139 K140 G147 N178 F181 M182 | S139-C143 PolarHBondContact O-N 2.96Å; S139-C143 VanDerWaalsContact O-N 3.1Å; S139-C143 PolarHBondContact O-SG 2.65Å; K140-C143 WeakPolarHBondContact O-CA 3.38Å; K140-C143 WeakPolarHBondContact O-CB 3.43Å; K140-C143 PolarHBondContact O-N 2.75Å; C143-G147 WeakPolarHBondContact O-CA 3.47Å; C143-G147 PolarHBondContact O-N 3.18Å; C143-N178 HydrophobicContact CB-CB 4.36Å; C143-N178 PolarHBondContact SG-ND2 3.37Å; C143-N178 VanDerWaalsContact SG-ND2 3.35Å; C143-F181 HydrophobicContact CB-CB 4.13Å; C143-F181 HydrophobicContact CB-CD2 4.24Å; C143-F181 HydrophobicContact CB-CG 4.4Å; C143-M182 HydrophobicContact CB-CE 3.67Å |
| 144 | E | 91.8 | Very high | 91.9 | Very high | 102 Ų | 102 | 38.7 Ų | 38.7 | 48% | 0.477 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.8 | -71.4 | 173.3 | -179.1 | 0 | 0 | 112.1 | K140 F181 | K140-E144 WeakPolarHBondContact CE-OE1 3.21Å; K140-E144 IonicContact NZ-OE1 2.68Å; K140-E144 WeakPolarHBondContact O-CG 3.44Å; K140-E144 PolarHBondContact O-N 3.28Å; E144-F181 HydrophobicContact CG-CD1 3.74Å; E144-F181 HydrophobicContact CG-CE1 3.58Å; E144-F181 HydrophobicContact CG-CG 4.31Å; E144-F181 HydrophobicContact CG-CZ 4.03Å |
| 145 | A | 92.5 | Very high | 92 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 25% | 0.248 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.1 | -36.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I112 E141 | I112-A145 HydrophobicContact CD1-CB 4.47Å; I112-A145 HydrophobicContact CG2-CB 3.81Å; E141-A145 WeakPolarHBondContact O-CB 3.5Å; E141-A145 PolarHBondContact O-N 3.23Å |
| 146 | F | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -120 | -6.8 | -167.1 | -57.4 | -65.8 | 0 | 0 | 0 | 114.9 | I112 I115 K116 L119 I134 M142 N148 E149 I150 | I112-F146 HydrophobicContact CB-CZ 4.42Å; I112-F146 HydrophobicContact CG1-CE2 4.28Å; I112-F146 HydrophobicContact CG2-CE2 4.2Å; I112-F146 HydrophobicContact CG2-CZ 3.87Å; I115-F146 HydrophobicContact CB-CE1 4.28Å; I115-F146 HydrophobicContact CB-CE2 4.32Å; I115-F146 HydrophobicContact CB-CZ 3.66Å; I115-F146 HydrophobicContact CD1-CE2 4.46Å; I115-F146 HydrophobicContact CG2-CD1 4.3Å; I115-F146 HydrophobicContact CG2-CD2 4.47Å; I115-F146 HydrophobicContact CG2-CE1 3.5Å; I115-F146 HydrophobicContact CG2-CE2 3.73Å; I115-F146 HydrophobicContact CG2-CZ 3.19Å; K116-F146 HydrophobicContact CG-CE1 3.55Å; K116-F146 HydrophobicContact CG-CZ 4.04Å; L119-F146 HydrophobicContact CD1-CD1 3.57Å; L119-F146 HydrophobicContact CD1-CE1 3.83Å; L119-F146 HydrophobicContact CD1-CG 4.44Å; I134-F146 HydrophobicContact CD1-CB 4.32Å; I134-F146 HydrophobicContact CD1-CD1 4.28Å; I134-F146 HydrophobicContact CD1-CD2 3.85Å; I134-F146 HydrophobicContact CD1-CE2 4.28Å; I134-F146 HydrophobicContact CD1-CG 3.88Å; I134-F146 HydrophobicContact CG1-CD2 3.98Å; I134-F146 HydrophobicContact CG1-CE2 4.21Å; I134-F146 HydrophobicContact CG2-CD2 4.43Å; M142-F146 WeakPolarHBondContact O-CB 3.37Å; M142-F146 WeakPolarHBondContact O-CD2 3.4Å; M142-F146 PolarHBondContact O-N 2.88Å; M142-F146 HydrophobicContact SD-CD2 3.97Å; M142-F146 HydrophobicContact SD-CE2 3.58Å; M142-F146 VanDerWaalsContact SD-CE2 3.58Å; F146-N148 PolarHBondContact O-N 2.82Å; F146-N148 VanDerWaalsContact O-N 3.1Å; F146-E149 PolarHBondContact O-N 3.09Å; F146-I150 HydrophobicContact CB-CD1 4.14Å; F146-I150 HydrophobicContact CB-CG1 4.05Å; F146-I150 WeakPolarHBondContact O-CG1 3.33Å; F146-I150 PolarHBondContact O-N 2.84Å; F146-I150 VanDerWaalsContact O-N 3.08Å |
| 147 | G | 90.8 | Very high | 92 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | C143 P151 M182 | C143-G147 WeakPolarHBondContact O-CA 3.47Å; C143-G147 PolarHBondContact O-N 3.18Å; G147-P151 WeakPolarHBondContact O-CD 3.17Å; G147-P151 WeakPolarHBondContact O-CG 3.42Å; G147-M182 VanDerWaalsContact CA-CE 3.45Å; G147-M182 WeakPolarHBondContact CA-SD 3.49Å |
| 148 | N | 91.3 | Very high | 92 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -19.8 | 177.4 | -63.8 | -29.2 | 0 | 0 | 0 | 113.9 | F146 R152 P183 | F146-N148 PolarHBondContact O-N 2.82Å; F146-N148 VanDerWaalsContact O-N 3.1Å; N148-R152 WeakPolarHBondContact O-CD 3.5Å; N148-R152 WeakPolarHBondContact O-CG 3.41Å; N148-R152 PolarHBondContact O-NE 3.42Å; N148-P183 WeakPolarHBondContact OD1-CD 3.46Å; N148-P183 WeakPolarHBondContact OD1-CG 3.3Å |
| 149 | E | 92.6 | Very high | 92.4 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -42.5 | -173.7 | -172.6 | 173.5 | -169.1 | 0 | 0 | 111.8 | L119 F146 R152 L153 | L119-E149 WeakPolarHBondContact CB-OE1 3.23Å; L119-E149 HydrophobicContact CD1-CG 4.36Å; L119-E149 WeakPolarHBondContact CD1-OE2 3.49Å; F146-E149 PolarHBondContact O-N 3.09Å; E149-R152 WeakPolarHBondContact O-CB 3.18Å; E149-R152 PolarHBondContact O-N 3.01Å; E149-R152 VanDerWaalsContact O-N 3.07Å; E149-L153 HydrophobicContact CG-CD1 4.43Å; E149-L153 PolarHBondContact O-N 3Å; E149-L153 VanDerWaalsContact O-N 3.12Å |
| 150 | I | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | -176.3 | -55.2 | -43.1 | 0 | 0 | 0 | 113 | L119 L131 I134 F146 R152 L153 L154 S167 C170 L171 L174 | L119-I150 HydrophobicContact CD1-CD1 4.08Å; L131-I150 HydrophobicContact CD2-CD1 3.53Å; L131-I150 HydrophobicContact CD2-CG2 4.41Å; I134-I150 HydrophobicContact CD1-CD1 4.03Å; F146-I150 HydrophobicContact CB-CD1 4.14Å; F146-I150 HydrophobicContact CB-CG1 4.05Å; F146-I150 WeakPolarHBondContact O-CG1 3.33Å; F146-I150 PolarHBondContact O-N 2.84Å; F146-I150 VanDerWaalsContact O-N 3.08Å; I150-R152 VanDerWaalsContact C-N 3.26Å; I150-R152 PolarHBondContact O-N 3.03Å; I150-L153 HydrophobicContact CD1-CD1 4.29Å; I150-L153 PolarHBondContact O-N 3.39Å; I150-L154 PolarHBondContact O-N 3.43Å; I150-S167 WeakPolarHBondContact CG2-O 3.35Å; I150-C170 HydrophobicContact CG2-CB 4.19Å; I150-L171 HydrophobicContact CG2-CB 3.97Å; I150-L174 HydrophobicContact CG1-CD1 4.34Å |
| 151 | P | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.9 | -35 | 175.6 | -23.6 | 34.1 | 0 | 0 | 0 | 113 | G147 L154 V155 L171 Y187 | G147-P151 WeakPolarHBondContact O-CD 3.17Å; G147-P151 WeakPolarHBondContact O-CG 3.42Å; P151-L154 WeakPolarHBondContact O-CB 3.28Å; P151-L154 PolarHBondContact O-N 3.35Å; P151-V155 WeakPolarHBondContact O-CG2 3.47Å; P151-V155 PolarHBondContact O-N 2.65Å; P151-V155 VanDerWaalsContact O-N 3.09Å; P151-L171 HydrophobicContact CB-CD2 4.34Å; P151-L171 HydrophobicContact CG-CD1 4.08Å; P151-L171 HydrophobicContact CG-CD2 4.02Å; P151-Y187 HydrophobicContact CB-CD1 4.16Å; P151-Y187 HydrophobicContact CB-CD2 3.47Å; P151-Y187 VanDerWaalsContact CB-CD2 3.47Å; P151-Y187 HydrophobicContact CB-CE1 4.31Å; P151-Y187 HydrophobicContact CB-CE2 3.63Å; P151-Y187 HydrophobicContact CB-CG 3.76Å; P151-Y187 HydrophobicContact CG-CD2 4.25Å; P151-Y187 HydrophobicContact CG-CE2 4.29Å |
| 152 | R | 93.9 | Very high | 93.4 | Very high | 154 Ų | 154 | 48.5 Ų | 48.5 | 58% | 0.581 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66 | -43.4 | 177.1 | -62 | 177.3 | -172.5 | -170.3 | 0.6 | 111.4 | N148 E149 I150 L154 V155 S156 Y187 | N148-R152 WeakPolarHBondContact O-CD 3.5Å; N148-R152 WeakPolarHBondContact O-CG 3.41Å; N148-R152 PolarHBondContact O-NE 3.42Å; E149-R152 WeakPolarHBondContact O-CB 3.18Å; E149-R152 PolarHBondContact O-N 3.01Å; E149-R152 VanDerWaalsContact O-N 3.07Å; I150-R152 VanDerWaalsContact C-N 3.26Å; I150-R152 PolarHBondContact O-N 3.03Å; R152-L154 VanDerWaalsContact C-N 3.29Å; R152-L154 PolarHBondContact O-N 3.23Å; R152-V155 PolarHBondContact O-N 2.95Å; R152-S156 WeakPolarHBondContact O-CB 3.32Å; R152-S156 PolarHBondContact O-N 3.05Å; R152-S156 VanDerWaalsContact O-N 3.11Å; R152-Y187 HydrophobicContact CG-CE1 4.07Å; R152-Y187 WeakPolarHBondContact CG-OH 3.46Å; R152-Y187 PolarHBondContact NE-OH 3.35Å |
| 153 | L | 95.2 | Very high | 93.7 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 175.2 | -66.8 | 175.4 | 0 | 0 | 0 | 111.7 | L119 V127 L131 E149 I150 N159 | L119-L153 HydrophobicContact CB-CD1 4.46Å; L119-L153 HydrophobicContact CD1-CD1 4.47Å; L119-L153 HydrophobicContact CD2-CD1 3.89Å; V127-L153 HydrophobicContact CG1-CD1 4.37Å; L131-L153 HydrophobicContact CD2-CD1 4.34Å; E149-L153 HydrophobicContact CG-CD1 4.43Å; E149-L153 PolarHBondContact O-N 3Å; E149-L153 VanDerWaalsContact O-N 3.12Å; I150-L153 HydrophobicContact CD1-CD1 4.29Å; I150-L153 PolarHBondContact O-N 3.39Å; L153-N159 WeakPolarHBondContact CA-ND2 3.34Å; L153-N159 PolarHBondContact O-ND2 2.93Å |
| 154 | L | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 178.2 | 174.3 | 58.3 | 0 | 0 | 0 | 112.9 | I150 P151 R152 K164 A168 L171 I191 L194 L209 | I150-L154 PolarHBondContact O-N 3.43Å; P151-L154 WeakPolarHBondContact O-CB 3.28Å; P151-L154 PolarHBondContact O-N 3.35Å; R152-L154 VanDerWaalsContact C-N 3.29Å; R152-L154 PolarHBondContact O-N 3.23Å; L154-K164 WeakPolarHBondContact CD1-O 3.36Å; L154-A168 HydrophobicContact CD1-CB 3.71Å; L154-A168 HydrophobicContact CD2-CB 4.32Å; L154-L171 HydrophobicContact CD2-CD2 4.11Å; L154-I191 HydrophobicContact CD2-CG1 4.15Å; L154-L194 HydrophobicContact CD1-CD1 3.49Å; L154-L194 VanDerWaalsContact CD1-CD1 3.49Å; L154-L194 HydrophobicContact CD2-CD1 4.23Å; L154-L194 HydrophobicContact CG-CD1 3.7Å; L154-L209 HydrophobicContact CD2-CD2 3.56Å |
| 155 | V | 95.2 | Very high | 94.3 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -92.1 | -5.8 | -172.5 | -56 | 0 | 0 | 0 | 0 | 114.3 | P151 R152 Y187 R190 I191 | P151-V155 WeakPolarHBondContact O-CG2 3.47Å; P151-V155 PolarHBondContact O-N 2.65Å; P151-V155 VanDerWaalsContact O-N 3.09Å; R152-V155 PolarHBondContact O-N 2.95Å; V155-Y187 HydrophobicContact CG1-CD1 4.3Å; V155-Y187 HydrophobicContact CG2-CD1 3.85Å; V155-Y187 HydrophobicContact CG2-CE1 4.16Å; V155-R190 HydrophobicContact CB-CB 3.92Å; V155-R190 HydrophobicContact CG1-CB 3.7Å; V155-R190 PolarHBondContact O-NH2 2.91Å; V155-I191 HydrophobicContact CG1-CG1 4Å |
| 156 | S | 94 | Very high | 94.5 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 19% | 0.189 | 23% | 0.233 | C | C | . | . | trans | -68.4 | 125.7 | 178.7 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | R152 E158 N159 K164 | R152-S156 WeakPolarHBondContact O-CB 3.32Å; R152-S156 PolarHBondContact O-N 3.05Å; R152-S156 VanDerWaalsContact O-N 3.11Å; S156-E158 PolarHBondContact O-N 2.94Å; S156-E158 PolarHBondContact OG-N 3.33Å; S156-N159 PolarHBondContact O-N 2.97Å; S156-K164 VanDerWaalsContact O-CE 3.27Å; S156-K164 WeakPolarHBondContact O-CE 3.28Å | ||
| 157 | P | 91.3 | Very high | 94.7 | Very high | 102 Ų | 102 | 46.5 Ų | 46.5 | 66% | 0.662 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22.2 | 177.9 | 29 | -34.2 | 0 | 0 | 0 | 112.9 | N159 | P157-N159 VanDerWaalsContact C-N 3.27Å; P157-N159 PolarHBondContact O-N 2.99Å |
| 158 | E | 90.6 | Very high | 95 | Very high | 179 Ų | 179 | 46.4 Ų | 46.4 | 84% | 0.836 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -20 | -178.7 | -61 | 177.1 | 179.9 | 0 | 0 | 112.9 | S156 | S156-E158 PolarHBondContact O-N 2.94Å; S156-E158 PolarHBondContact OG-N 3.33Å |
| 159 | N | 93 | Very high | 95.3 | Very high | 41 Ų | 41 | 46 Ų | 46 | 22% | 0.219 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -78.9 | 137.7 | -177.7 | -76.4 | -27 | 0 | 0 | 0 | 111.7 | L153 S156 P157 V163 K164 | L153-N159 WeakPolarHBondContact CA-ND2 3.34Å; L153-N159 PolarHBondContact O-ND2 2.93Å; S156-N159 PolarHBondContact O-N 2.97Å; P157-N159 VanDerWaalsContact C-N 3.27Å; P157-N159 PolarHBondContact O-N 2.99Å; N159-V163 HydrophobicContact CB-CG1 4.33Å; N159-K164 HydrophobicContact CB-CG 4.31Å; N159-K164 WeakPolarHBondContact O-CE 3.41Å |
| 160 | I | 94.4 | Very high | 95.5 | Very high | 85 Ų | 85 | 44 Ų | 44 | 44% | 0.436 | 22% | 0.221 | S | C | . | . | trans | -67.3 | 155.1 | 176.6 | -163.2 | 163.8 | 0 | 0 | 0 | 112 | P124 F162 V163 K164 | P124-I160 HydrophobicContact CB-CG2 3.79Å; P124-I160 HydrophobicContact CG-CG2 4.43Å; I160-F162 VanDerWaalsContact C-N 3.35Å; I160-F162 HydrophobicContact CB-CE1 4.46Å; I160-F162 HydrophobicContact CD1-CD1 4.35Å; I160-F162 HydrophobicContact CD1-CE1 4.04Å; I160-F162 HydrophobicContact CG1-CD1 4.24Å; I160-F162 HydrophobicContact CG1-CE1 4.3Å; I160-F162 HydrophobicContact CG2-CD1 3.62Å; I160-F162 HydrophobicContact CG2-CE1 3.38Å; I160-F162 HydrophobicContact CG2-CG 4.36Å; I160-F162 HydrophobicContact CG2-CZ 3.93Å; I160-F162 PolarHBondContact O-N 3.36Å; I160-V163 HydrophobicContact CG2-CB 4.13Å; I160-V163 HydrophobicContact CG2-CG2 3.58Å; I160-V163 WeakPolarHBondContact O-CB 3.4Å; I160-V163 PolarHBondContact O-N 3.11Å; I160-K164 PolarHBondContact O-N 3.43Å | ||
| 161 | D | 95.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 44 Ų | 44 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55 | -41.4 | -169.8 | -56.7 | -38.4 | 0 | 0 | 0 | 114.5 | V163 K164 Q165 H199 V202 | D161-V163 VanDerWaalsContact C-N 3.34Å; D161-V163 PolarHBondContact O-N 3.17Å; D161-K164 PolarHBondContact O-N 3.36Å; D161-Q165 VanDerWaalsContact O-CG 3.27Å; D161-Q165 WeakPolarHBondContact O-CG 3.2Å; D161-Q165 PolarHBondContact O-N 3.33Å; D161-Q165 PolarHBondContact O-NE2 2.79Å; D161-H199 HydrophobicContact CB-CB 4.18Å; D161-H199 IonicContact OD2-CD2 3.37Å; D161-H199 PolarHBondContact OD2-CD2 2.86Å; D161-H199 IonicContact OD2-CG 3.72Å; D161-V202 HydrophobicContact CB-CG2 3.78Å; D161-V202 WeakPolarHBondContact O-CG2 3.36Å |
| 162 | F | 94.9 | Very high | 95.6 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 30% | 0.303 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.6 | -27.2 | -179 | 75.2 | -95 | 0 | 0 | 0 | 112.9 | P124 N128 I160 Q165 S166 | P124-F162 HydrophobicContact CB-CE1 4.28Å; P124-F162 HydrophobicContact CB-CE2 4.36Å; P124-F162 HydrophobicContact CB-CZ 3.65Å; P124-F162 HydrophobicContact CG-CZ 4.05Å; P124-F162 WeakPolarHBondContact O-CE2 3.42Å; N128-F162 HydrophobicContact CB-CD2 3.95Å; N128-F162 HydrophobicContact CB-CE2 3.6Å; I160-F162 VanDerWaalsContact C-N 3.35Å; I160-F162 HydrophobicContact CB-CE1 4.46Å; I160-F162 HydrophobicContact CD1-CD1 4.35Å; I160-F162 HydrophobicContact CD1-CE1 4.04Å; I160-F162 HydrophobicContact CG1-CD1 4.24Å; I160-F162 HydrophobicContact CG1-CE1 4.3Å; I160-F162 HydrophobicContact CG2-CD1 3.62Å; I160-F162 HydrophobicContact CG2-CE1 3.38Å; I160-F162 HydrophobicContact CG2-CG 4.36Å; I160-F162 HydrophobicContact CG2-CZ 3.93Å; I160-F162 PolarHBondContact O-N 3.36Å; F162-Q165 PolarHBondContact O-N 3.4Å; F162-S166 PolarHBondContact O-N 3.02Å; F162-S166 PolarHBondContact O-OG 2.83Å |
| 163 | V | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.7 | -42.7 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | P124 V127 L131 N159 I160 D161 Q165 S166 S167 | P124-V163 HydrophobicContact CB-CG2 3.73Å; V127-V163 HydrophobicContact CG1-CG1 3.83Å; L131-V163 HydrophobicContact CD1-CG1 4.18Å; N159-V163 HydrophobicContact CB-CG1 4.33Å; I160-V163 HydrophobicContact CG2-CB 4.13Å; I160-V163 HydrophobicContact CG2-CG2 3.58Å; I160-V163 WeakPolarHBondContact O-CB 3.4Å; I160-V163 PolarHBondContact O-N 3.11Å; D161-V163 VanDerWaalsContact C-N 3.34Å; D161-V163 PolarHBondContact O-N 3.17Å; V163-Q165 VanDerWaalsContact C-N 3.34Å; V163-Q165 PolarHBondContact O-N 3.43Å; V163-S166 PolarHBondContact O-N 3.28Å; V163-S167 VanDerWaalsContact O-CB 3.32Å; V163-S167 WeakPolarHBondContact O-CB 3.05Å; V163-S167 PolarHBondContact O-N 3.41Å; V163-S167 PolarHBondContact O-OG 3.26Å |
| 164 | K | 97.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 9% | 0.087 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59 | -45 | 172.7 | -66.9 | 177.6 | 177.4 | 164.6 | 0 | 111.4 | L154 S156 N159 I160 D161 S167 A168 D197 V202 | L154-K164 WeakPolarHBondContact CD1-O 3.36Å; S156-K164 VanDerWaalsContact O-CE 3.27Å; S156-K164 WeakPolarHBondContact O-CE 3.28Å; N159-K164 HydrophobicContact CB-CG 4.31Å; N159-K164 WeakPolarHBondContact O-CE 3.41Å; I160-K164 PolarHBondContact O-N 3.43Å; D161-K164 PolarHBondContact O-N 3.36Å; K164-S167 PolarHBondContact O-N 2.79Å; K164-A168 PolarHBondContact O-N 3.23Å; K164-D197 IonicContact NZ-OD2 3.07Å; K164-V202 HydrophobicContact CB-CG1 4.19Å; K164-V202 HydrophobicContact CB-CG2 4.22Å; K164-V202 HydrophobicContact CD-CG1 4.26Å; K164-V202 HydrophobicContact CD-CG2 4.42Å |
| 165 | Q | 97.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 41 Ų | 41 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.2 | -51.6 | 177.3 | -73 | 166.8 | 59.1 | 0 | 0 | 112.6 | D161 F162 V163 S167 A168 L169 H199 G201 V202 S205 | D161-Q165 VanDerWaalsContact O-CG 3.27Å; D161-Q165 WeakPolarHBondContact O-CG 3.2Å; D161-Q165 PolarHBondContact O-N 3.33Å; D161-Q165 PolarHBondContact O-NE2 2.79Å; F162-Q165 PolarHBondContact O-N 3.4Å; V163-Q165 VanDerWaalsContact C-N 3.34Å; V163-Q165 PolarHBondContact O-N 3.43Å; Q165-S167 VanDerWaalsContact C-N 3.29Å; Q165-S167 PolarHBondContact O-N 3.34Å; Q165-A168 PolarHBondContact O-N 3.41Å; Q165-L169 WeakPolarHBondContact O-CG 3.33Å; Q165-L169 PolarHBondContact O-N 3.26Å; Q165-L169 VanDerWaalsContact O-N 3.12Å; Q165-H199 PolarHBondContact NE2-CE1 2.8Å; Q165-H199 PolarHBondContact NE2-ND1 3.42Å; Q165-G201 WeakPolarHBondContact CG-O 3.29Å; Q165-V202 HydrophobicContact CG-CG2 4.1Å; Q165-S205 WeakPolarHBondContact CA-OG 3.36Å |
| 166 | S | 97.6 | Very high | 95.1 | Very high | 22 Ų | 22 | 48.1 Ų | 48.1 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -34.4 | 178 | -69.1 | 0 | 0 | 0 | 0 | 112.2 | N128 F162 V163 C170 | N128-S166 VanDerWaalsContact OD1-CB 3.31Å; N128-S166 WeakPolarHBondContact OD1-CB 3.45Å; N128-S166 PolarHBondContact OD1-OG 2.75Å; F162-S166 PolarHBondContact O-N 3.02Å; F162-S166 PolarHBondContact O-OG 2.83Å; V163-S166 PolarHBondContact O-N 3.28Å; S166-C170 WeakPolarHBondContact O-CB 3.2Å; S166-C170 PolarHBondContact O-N 3.16Å |
| 167 | S | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -42.6 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | L131 I150 V163 K164 Q165 C170 L171 | L131-S167 WeakPolarHBondContact CD1-OG 3.19Å; I150-S167 WeakPolarHBondContact CG2-O 3.35Å; V163-S167 VanDerWaalsContact O-CB 3.32Å; V163-S167 WeakPolarHBondContact O-CB 3.05Å; V163-S167 PolarHBondContact O-N 3.41Å; V163-S167 PolarHBondContact O-OG 3.26Å; K164-S167 PolarHBondContact O-N 2.79Å; Q165-S167 VanDerWaalsContact C-N 3.29Å; Q165-S167 PolarHBondContact O-N 3.34Å; S167-C170 PolarHBondContact O-N 3.49Å; S167-L171 WeakPolarHBondContact O-CB 3.34Å; S167-L171 PolarHBondContact O-N 3.1Å |
| 168 | A | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L154 K164 Q165 L172 L209 | L154-A168 HydrophobicContact CD1-CB 3.71Å; L154-A168 HydrophobicContact CD2-CB 4.32Å; K164-A168 PolarHBondContact O-N 3.23Å; Q165-A168 PolarHBondContact O-N 3.41Å; A168-L172 VanDerWaalsContact O-CB 3.32Å; A168-L172 WeakPolarHBondContact O-CB 3.43Å; A168-L172 PolarHBondContact O-N 3.31Å; A168-L209 HydrophobicContact CB-CD2 4.44Å |
| 169 | L | 97.5 | Very high | 94.4 | Very high | 84 Ų | 84 | 38.3 Ų | 38.3 | 44% | 0.44 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.5 | -35.5 | 179.2 | -64.2 | 177.8 | 0 | 0 | 0 | 112.3 | Q165 L172 R173 | Q165-L169 WeakPolarHBondContact O-CG 3.33Å; Q165-L169 PolarHBondContact O-N 3.26Å; Q165-L169 VanDerWaalsContact O-N 3.12Å; L169-L172 HydrophobicContact CD2-CD2 4.37Å; L169-L172 PolarHBondContact O-N 3Å; L169-R173 WeakPolarHBondContact O-CB 3.4Å; L169-R173 PolarHBondContact O-N 3.35Å |
| 170 | C | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -51.7 | 173.6 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | L131 I134 S135 I150 S166 S167 L172 R173 L174 | L131-C170 HydrophobicContact CD2-CB 4.27Å; I134-C170 WeakPolarHBondContact CG2-SG 3.28Å; S135-C170 WeakPolarHBondContact OG-CA 3.47Å; S135-C170 WeakPolarHBondContact OG-CB 3.33Å; S135-C170 PolarHBondContact OG-SG 3.26Å; I150-C170 HydrophobicContact CG2-CB 4.19Å; S166-C170 WeakPolarHBondContact O-CB 3.2Å; S166-C170 PolarHBondContact O-N 3.16Å; S167-C170 PolarHBondContact O-N 3.49Å; C170-L172 VanDerWaalsContact C-N 3.32Å; C170-L172 PolarHBondContact O-N 3.37Å; C170-R173 PolarHBondContact O-N 3.04Å; C170-R173 VanDerWaalsContact O-N 3.08Å; C170-L174 WeakPolarHBondContact O-CG 3.43Å; C170-L174 PolarHBondContact O-N 3.25Å |
| 171 | L | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.4 | -44.3 | 176.6 | -176.9 | 55.8 | 0 | 0 | 0 | 111.7 | I150 P151 L154 S167 R173 L174 L175 M182 I191 L209 | I150-L171 HydrophobicContact CG2-CB 3.97Å; P151-L171 HydrophobicContact CB-CD2 4.34Å; P151-L171 HydrophobicContact CG-CD1 4.08Å; P151-L171 HydrophobicContact CG-CD2 4.02Å; L154-L171 HydrophobicContact CD2-CD2 4.11Å; S167-L171 WeakPolarHBondContact O-CB 3.34Å; S167-L171 PolarHBondContact O-N 3.1Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 3.41Å; L171-L174 PolarHBondContact O-N 2.9Å; L171-L175 HydrophobicContact CD1-CD1 4.15Å; L171-L175 HydrophobicContact CD1-CG 4.26Å; L171-L175 HydrophobicContact CG-CD1 3.92Å; L171-L175 WeakPolarHBondContact O-CB 3.27Å; L171-L175 WeakPolarHBondContact O-CD1 3.42Å; L171-L175 VanDerWaalsContact O-CG 3.32Å; L171-L175 WeakPolarHBondContact O-CG 2.97Å; L171-L175 PolarHBondContact O-N 3.15Å; L171-M182 HydrophobicContact CD1-CG 4.47Å; L171-M182 HydrophobicContact CD1-SD 3.78Å; L171-I191 HydrophobicContact CD2-CD1 4.48Å; L171-L209 HydrophobicContact CB-CD1 4.42Å; L171-L209 HydrophobicContact CD2-CD1 4.36Å; L171-L209 HydrophobicContact CD2-CD2 3.86Å; L171-L209 HydrophobicContact CG-CD1 4.1Å; L171-L209 HydrophobicContact CG-CD2 4.38Å |
| 172 | L | 95.7 | Very high | 92.8 | Very high | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.8 | -44.3 | 174.9 | 172.1 | 64.2 | 0 | 0 | 0 | 111.7 | A168 L169 C170 R176 L209 L212 | A168-L172 VanDerWaalsContact O-CB 3.32Å; A168-L172 WeakPolarHBondContact O-CB 3.43Å; A168-L172 PolarHBondContact O-N 3.31Å; L169-L172 HydrophobicContact CD2-CD2 4.37Å; L169-L172 PolarHBondContact O-N 3Å; C170-L172 VanDerWaalsContact C-N 3.32Å; C170-L172 PolarHBondContact O-N 3.37Å; L172-R176 WeakPolarHBondContact O-CG 3.25Å; L172-R176 PolarHBondContact O-N 3.2Å; L172-L209 HydrophobicContact CB-CD1 4Å; L172-L212 HydrophobicContact CD1-CB 3.72Å; L172-L212 HydrophobicContact CD1-CD2 3.54Å; L172-L212 HydrophobicContact CD1-CG 4.26Å |
| 173 | R | 93.9 | Very high | 92.1 | Very high | 94 Ų | 94 | 37.4 Ų | 37.4 | 36% | 0.355 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.9 | -37.5 | -178.7 | 177.4 | 56.8 | -170.9 | 102.5 | -0.4 | 112.7 | S135 L169 C170 L171 A177 | S135-R173 WeakPolarHBondContact O-CG 3.45Å; L169-R173 WeakPolarHBondContact O-CB 3.4Å; L169-R173 PolarHBondContact O-N 3.35Å; C170-R173 PolarHBondContact O-N 3.04Å; C170-R173 VanDerWaalsContact O-N 3.08Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 3.41Å; R173-A177 PolarHBondContact O-N 3.37Å |
| 174 | L | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.4 | -41.5 | 176 | -64.6 | 178.3 | 0 | 0 | 0 | 111.6 | I134 I150 C170 L171 R176 A177 N178 M182 | I134-L174 HydrophobicContact CG2-CD1 3.96Å; I134-L174 HydrophobicContact CG2-CD2 3.98Å; I134-L174 HydrophobicContact CG2-CG 4.34Å; I150-L174 HydrophobicContact CG1-CD1 4.34Å; C170-L174 WeakPolarHBondContact O-CG 3.43Å; C170-L174 PolarHBondContact O-N 3.25Å; L171-L174 PolarHBondContact O-N 2.9Å; L174-R176 VanDerWaalsContact C-N 3.28Å; L174-R176 PolarHBondContact O-N 2.83Å; L174-A177 WeakPolarHBondContact O-CA 3.43Å; L174-A177 WeakPolarHBondContact O-CB 3.08Å; L174-A177 PolarHBondContact O-N 3.33Å; L174-N178 PolarHBondContact O-N 3.34Å; L174-M182 HydrophobicContact CB-CE 3.82Å; L174-M182 HydrophobicContact CB-SD 4.24Å; L174-M182 HydrophobicContact CD1-CE 4.03Å; L174-M182 HydrophobicContact CG-CE 4.49Å |
| 175 | L | 92.9 | Very high | 90.7 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -36 | 174.9 | -77.7 | 163.4 | 0 | 0 | 0 | 113 | L171 A177 P179 M182 V184 L209 L212 L213 W217 | L171-L175 HydrophobicContact CD1-CD1 4.15Å; L171-L175 HydrophobicContact CD1-CG 4.26Å; L171-L175 HydrophobicContact CG-CD1 3.92Å; L171-L175 WeakPolarHBondContact O-CB 3.27Å; L171-L175 WeakPolarHBondContact O-CD1 3.42Å; L171-L175 VanDerWaalsContact O-CG 3.32Å; L171-L175 WeakPolarHBondContact O-CG 2.97Å; L171-L175 PolarHBondContact O-N 3.15Å; L175-A177 PolarHBondContact O-N 3.4Å; L175-P179 HydrophobicContact CD2-CB 4.38Å; L175-P179 WeakPolarHBondContact O-CB 3.48Å; L175-P179 WeakPolarHBondContact O-CD 3.36Å; L175-M182 HydrophobicContact CD2-CB 3.6Å; L175-M182 HydrophobicContact CD2-CG 3.76Å; L175-M182 HydrophobicContact CG-CB 4.39Å; L175-M182 HydrophobicContact CG-CG 4.15Å; L175-V184 HydrophobicContact CD1-CG2 4.22Å; L175-V184 HydrophobicContact CD2-CG2 3.73Å; L175-V184 HydrophobicContact CG-CG2 4.48Å; L175-L209 HydrophobicContact CD1-CD1 3.67Å; L175-L212 HydrophobicContact CB-CD2 3.85Å; L175-L213 HydrophobicContact CD1-CD2 3.51Å; L175-L213 HydrophobicContact CD1-CG 4.31Å; L175-L213 HydrophobicContact CD2-CD2 4.44Å; L175-W217 HydrophobicContact CD2-CH2 4.14Å; L175-W217 HydrophobicContact CD2-CZ3 4.25Å |
| 176 | R | 91.6 | Very high | 90.4 | Very high | 163 Ų | 163 | 43.7 Ų | 43.7 | 62% | 0.615 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.7 | 173.4 | -71.5 | 174.5 | 177.1 | 171.2 | -1.1 | 113.2 | L172 L174 L212 | L172-R176 WeakPolarHBondContact O-CG 3.25Å; L172-R176 PolarHBondContact O-N 3.2Å; L174-R176 VanDerWaalsContact C-N 3.28Å; L174-R176 PolarHBondContact O-N 2.83Å; R176-L212 HydrophobicContact CG-CD2 3.81Å |
| 177 | A | 87.7 | Confident | 90.2 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -59.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R173 L174 L175 | R173-A177 PolarHBondContact O-N 3.37Å; L174-A177 WeakPolarHBondContact O-CA 3.43Å; L174-A177 WeakPolarHBondContact O-CB 3.08Å; L174-A177 PolarHBondContact O-N 3.33Å; L175-A177 PolarHBondContact O-N 3.4Å |
| 178 | N | 87.7 | Confident | 90 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | trans | -144.6 | 81.8 | -174.4 | -53.6 | -66.5 | 0 | 0 | 0 | 109 | C143 L174 E180 F181 | C143-N178 HydrophobicContact CB-CB 4.36Å; C143-N178 PolarHBondContact SG-ND2 3.37Å; C143-N178 VanDerWaalsContact SG-ND2 3.35Å; L174-N178 PolarHBondContact O-N 3.34Å; N178-E180 WeakPolarHBondContact CB-OE1 3.39Å; N178-E180 PolarHBondContact O-N 3.3Å; N178-F181 HydrophobicContact CB-CD2 3.68Å; N178-F181 HydrophobicContact CB-CE2 4.12Å; N178-F181 PolarHBondContact O-N 3.09Å | ||
| 179 | P | 85.7 | Confident | 89.9 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -71.2 | -13.4 | -172.7 | 30.9 | -38 | 0 | 0 | 0 | 114.2 | L175 F181 K216 | L175-P179 HydrophobicContact CD2-CB 4.38Å; L175-P179 WeakPolarHBondContact O-CB 3.48Å; L175-P179 WeakPolarHBondContact O-CD 3.36Å; P179-F181 VanDerWaalsContact C-N 3.25Å; P179-F181 PolarHBondContact O-N 2.92Å; P179-K216 VanDerWaalsContact CG-NZ 3.28Å |
| 180 | E | 84.6 | Confident | 89.9 | Confident | 126 Ų | 126 | 50.8 Ų | 50.8 | 59% | 0.589 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -66.4 | -21.2 | 177.1 | 61.4 | -83.3 | -174.4 | 0 | 0 | 114 | N178 | N178-E180 WeakPolarHBondContact CB-OE1 3.39Å; N178-E180 PolarHBondContact O-N 3.3Å |
| 181 | F | 80.7 | Confident | 89.9 | Confident | 62 Ų | 62 | 50.8 Ų | 50.8 | 27% | 0.272 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -93.6 | 8.2 | -177.3 | -65.5 | -75.4 | 0 | 0 | 0 | 114.5 | K140 C143 E144 N178 P179 | K140-F181 HydrophobicContact CD-CE2 4.43Å; K140-F181 VanDerWaalsContact CE-CZ 3.44Å; K140-F181 HydrophobicContact CG-CE2 3.98Å; K140-F181 HydrophobicContact CG-CZ 4.3Å; C143-F181 HydrophobicContact CB-CB 4.13Å; C143-F181 HydrophobicContact CB-CD2 4.24Å; C143-F181 HydrophobicContact CB-CG 4.4Å; E144-F181 HydrophobicContact CG-CD1 3.74Å; E144-F181 HydrophobicContact CG-CE1 3.58Å; E144-F181 HydrophobicContact CG-CG 4.31Å; E144-F181 HydrophobicContact CG-CZ 4.03Å; N178-F181 HydrophobicContact CB-CD2 3.68Å; N178-F181 HydrophobicContact CB-CE2 4.12Å; N178-F181 PolarHBondContact O-N 3.09Å; P179-F181 VanDerWaalsContact C-N 3.25Å; P179-F181 PolarHBondContact O-N 2.92Å |
| 182 | M | 83.1 | Confident | 90 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 4% | 0.044 | 25% | 0.254 | C | S | . | . | trans | -119 | 108.4 | -169.4 | -59.2 | -70.1 | 141.4 | 0 | 0 | 110.8 | C143 G147 L171 L174 L175 V184 | C143-M182 HydrophobicContact CB-CE 3.67Å; G147-M182 VanDerWaalsContact CA-CE 3.45Å; G147-M182 WeakPolarHBondContact CA-SD 3.49Å; L171-M182 HydrophobicContact CD1-CG 4.47Å; L171-M182 HydrophobicContact CD1-SD 3.78Å; L174-M182 HydrophobicContact CB-CE 3.82Å; L174-M182 HydrophobicContact CB-SD 4.24Å; L174-M182 HydrophobicContact CD1-CE 4.03Å; L174-M182 HydrophobicContact CG-CE 4.49Å; L175-M182 HydrophobicContact CD2-CB 3.6Å; L175-M182 HydrophobicContact CD2-CG 3.76Å; L175-M182 HydrophobicContact CG-CB 4.39Å; L175-M182 HydrophobicContact CG-CG 4.15Å; M182-V184 HydrophobicContact CB-CG2 3.87Å; M182-V184 PolarHBondContact O-N 2.94Å | ||
| 183 | P | 81.5 | Confident | 90.1 | Very high | 36 Ų | 36 | 56.7 Ų | 56.7 | 23% | 0.234 | 28% | 0.278 | C | S | . | . | trans | -78.8 | 65.2 | 178.8 | 34.7 | -37.9 | 0 | 0 | 0 | 111.4 | N148 S185 Y187 | N148-P183 WeakPolarHBondContact OD1-CD 3.46Å; N148-P183 WeakPolarHBondContact OD1-CG 3.3Å; P183-S185 PolarHBondContact O-N 3.16Å; P183-Y187 WeakPolarHBondContact O-CD2 3.26Å | ||
| 184 | V | 80.1 | Confident | 90.3 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -70.2 | -32.5 | -171.5 | -177.6 | 0 | 0 | 0 | 0 | 112.9 | L175 M182 E186 Y187 S188 I191 L213 W217 F221 | L175-V184 HydrophobicContact CD1-CG2 4.22Å; L175-V184 HydrophobicContact CD2-CG2 3.73Å; L175-V184 HydrophobicContact CG-CG2 4.48Å; M182-V184 HydrophobicContact CB-CG2 3.87Å; M182-V184 PolarHBondContact O-N 2.94Å; V184-E186 PolarHBondContact O-N 3.37Å; V184-E186 VanDerWaalsContact O-N 3.16Å; V184-Y187 PolarHBondContact O-N 3.18Å; V184-S188 PolarHBondContact O-N 3.38Å; V184-I191 HydrophobicContact CG1-CD1 4.15Å; V184-L213 HydrophobicContact CB-CD2 4.32Å; V184-L213 HydrophobicContact CG1-CD1 3.72Å; V184-L213 HydrophobicContact CG1-CD2 3.66Å; V184-L213 HydrophobicContact CG1-CG 4.29Å; V184-L213 HydrophobicContact CG2-CD2 4.14Å; V184-W217 HydrophobicContact CB-CZ3 4.43Å; V184-W217 HydrophobicContact CG2-CH2 4.35Å; V184-W217 HydrophobicContact CG2-CZ3 4.38Å; V184-F221 HydrophobicContact CG1-CE2 4.2Å; V184-F221 HydrophobicContact CG1-CZ 3.79Å |
| 185 | S | 85.2 | Confident | 90.5 | Very high | 55 Ų | 55 | 52.9 Ų | 52.9 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -57.9 | -33.5 | -174.8 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | P183 Y187 S188 | P183-S185 PolarHBondContact O-N 3.16Å; S185-Y187 VanDerWaalsContact C-N 3.25Å; S185-Y187 PolarHBondContact O-N 3.47Å; S185-S188 WeakPolarHBondContact O-CB 3.28Å; S185-S188 PolarHBondContact O-N 3.01Å; S185-S188 PolarHBondContact O-OG 2.98Å |
| 186 | E | 90.2 | Very high | 90.7 | Very high | 145 Ų | 145 | 55.1 Ų | 55.1 | 68% | 0.678 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -63.8 | -28.5 | 176.8 | -63.5 | 179.4 | -162.1 | 0 | 0 | 113.3 | V184 | V184-E186 PolarHBondContact O-N 3.37Å; V184-E186 VanDerWaalsContact O-N 3.16Å |
| 187 | Y | 93.7 | Very high | 90.9 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -103.8 | -2.1 | -176.2 | -61.9 | -80 | 0 | 0 | 0 | 113.1 | P151 R152 V155 P183 V184 S185 S189 R190 I191 | P151-Y187 HydrophobicContact CB-CD1 4.16Å; P151-Y187 HydrophobicContact CB-CD2 3.47Å; P151-Y187 VanDerWaalsContact CB-CD2 3.47Å; P151-Y187 HydrophobicContact CB-CE1 4.31Å; P151-Y187 HydrophobicContact CB-CE2 3.63Å; P151-Y187 HydrophobicContact CB-CG 3.76Å; P151-Y187 HydrophobicContact CG-CD2 4.25Å; P151-Y187 HydrophobicContact CG-CE2 4.29Å; R152-Y187 HydrophobicContact CG-CE1 4.07Å; R152-Y187 WeakPolarHBondContact CG-OH 3.46Å; R152-Y187 PolarHBondContact NE-OH 3.35Å; V155-Y187 HydrophobicContact CG1-CD1 4.3Å; V155-Y187 HydrophobicContact CG2-CD1 3.85Å; V155-Y187 HydrophobicContact CG2-CE1 4.16Å; P183-Y187 WeakPolarHBondContact O-CD2 3.26Å; V184-Y187 PolarHBondContact O-N 3.18Å; S185-Y187 VanDerWaalsContact C-N 3.25Å; S185-Y187 PolarHBondContact O-N 3.47Å; Y187-S189 PolarHBondContact O-N 3.15Å; Y187-R190 PolarHBondContact O-N 3.45Å; Y187-R190 VanDerWaalsContact O-N 3.11Å; Y187-I191 WeakPolarHBondContact O-CB 3.4Å; Y187-I191 VanDerWaalsContact O-CG1 3.32Å; Y187-I191 WeakPolarHBondContact O-CG1 3.34Å; Y187-I191 PolarHBondContact O-N 3.34Å |
| 188 | S | 94.6 | Very high | 91.2 | Very high | 21 Ų | 21 | 56.2 Ų | 56.2 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -46.3 | -57.1 | -173.8 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | V184 S185 R190 I191 V192 | V184-S188 PolarHBondContact O-N 3.38Å; S185-S188 WeakPolarHBondContact O-CB 3.28Å; S185-S188 PolarHBondContact O-N 3.01Å; S185-S188 PolarHBondContact O-OG 2.98Å; S188-R190 PolarHBondContact O-N 3.05Å; S188-I191 PolarHBondContact O-N 3.4Å; S188-V192 WeakPolarHBondContact O-CB 3.3Å; S188-V192 VanDerWaalsContact O-CG2 3.3Å; S188-V192 WeakPolarHBondContact O-CG2 3.47Å; S188-V192 PolarHBondContact O-N 3.49Å |
| 189 | S | 95.6 | Very high | 91.6 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 59% | 0.594 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.4 | -42.5 | -179.3 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | Y187 H193 | Y187-S189 PolarHBondContact O-N 3.15Å; S189-H193 WeakPolarHBondContact O-CB 3.39Å; S189-H193 PolarHBondContact O-N 3.18Å |
| 190 | R | 96.5 | Very high | 92.1 | Very high | 124 Ų | 124 | 56.5 Ų | 56.5 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.7 | -38.5 | 179.7 | -64 | -176.4 | 72.2 | 169.9 | 1 | 111.9 | V155 Y187 S188 H193 L194 | V155-R190 HydrophobicContact CB-CB 3.92Å; V155-R190 HydrophobicContact CG1-CB 3.7Å; V155-R190 PolarHBondContact O-NH2 2.91Å; Y187-R190 PolarHBondContact O-N 3.45Å; Y187-R190 VanDerWaalsContact O-N 3.11Å; S188-R190 PolarHBondContact O-N 3.05Å; R190-H193 PolarHBondContact O-N 3.19Å; R190-L194 PolarHBondContact O-N 3.27Å |
| 191 | I | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 174.7 | -68.7 | 169 | 0 | 0 | 0 | 109.8 | L154 V155 L171 V184 Y187 S188 H193 L194 L209 I210 L213 F221 | L154-I191 HydrophobicContact CD2-CG1 4.15Å; V155-I191 HydrophobicContact CG1-CG1 4Å; L171-I191 HydrophobicContact CD2-CD1 4.48Å; V184-I191 HydrophobicContact CG1-CD1 4.15Å; Y187-I191 WeakPolarHBondContact O-CB 3.4Å; Y187-I191 VanDerWaalsContact O-CG1 3.32Å; Y187-I191 WeakPolarHBondContact O-CG1 3.34Å; Y187-I191 PolarHBondContact O-N 3.34Å; S188-I191 PolarHBondContact O-N 3.4Å; I191-H193 VanDerWaalsContact C-N 3.28Å; I191-H193 PolarHBondContact O-N 3.33Å; I191-L194 VanDerWaalsContact O-CB 3.28Å; I191-L194 WeakPolarHBondContact O-CB 3.27Å; I191-L194 PolarHBondContact O-N 2.95Å; I191-L194 VanDerWaalsContact O-N 3.09Å; I191-L209 HydrophobicContact CG2-CD2 4.08Å; I191-I210 HydrophobicContact CG2-CD1 4.31Å; I191-I210 HydrophobicContact CG2-CG1 3.81Å; I191-L213 HydrophobicContact CD1-CD1 4.37Å; I191-L213 HydrophobicContact CG2-CD1 4.29Å; I191-F221 HydrophobicContact CB-CE1 4.38Å; I191-F221 HydrophobicContact CG2-CE1 4.08Å |
| 192 | V | 97.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -40.8 | 176 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | S188 L194 L195 F221 L227 | S188-V192 WeakPolarHBondContact O-CB 3.3Å; S188-V192 VanDerWaalsContact O-CG2 3.3Å; S188-V192 WeakPolarHBondContact O-CG2 3.47Å; S188-V192 PolarHBondContact O-N 3.49Å; V192-L194 PolarHBondContact O-N 3.26Å; V192-L195 WeakPolarHBondContact O-CB 3.43Å; V192-L195 PolarHBondContact O-N 2.99Å; V192-L195 VanDerWaalsContact O-N 3.08Å; V192-F221 HydrophobicContact CG2-CD1 3.59Å; V192-F221 HydrophobicContact CG2-CE1 4.07Å; V192-F221 HydrophobicContact CG2-CG 4.46Å; V192-L227 HydrophobicContact CG1-CD1 3.78Å; V192-L227 WeakPolarHBondContact O-CD1 3.3Å |
| 193 | H | 97.2 | Very high | 94.2 | Very high | 122 Ų | 122 | 47.5 Ų | 47.5 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.8 | -21.1 | 178 | -166.9 | 80.3 | 0 | 0 | 0 | 113.8 | S189 R190 I191 L195 N196 | S189-H193 WeakPolarHBondContact O-CB 3.39Å; S189-H193 PolarHBondContact O-N 3.18Å; R190-H193 PolarHBondContact O-N 3.19Å; I191-H193 VanDerWaalsContact C-N 3.28Å; I191-H193 PolarHBondContact O-N 3.33Å; H193-L195 PolarHBondContact O-N 2.84Å; H193-L195 VanDerWaalsContact O-N 3.16Å; H193-N196 WeakPolarHBondContact O-CB 3.42Å; H193-N196 PolarHBondContact O-N 2.8Å |
| 194 | L | 97.8 | Very high | 95 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -63.4 | -17.9 | 173.8 | -65.5 | 172.1 | 0 | 0 | 0 | 113.1 | L154 R190 I191 V192 N196 D197 V202 A206 | L154-L194 HydrophobicContact CD1-CD1 3.49Å; L154-L194 VanDerWaalsContact CD1-CD1 3.49Å; L154-L194 HydrophobicContact CD2-CD1 4.23Å; L154-L194 HydrophobicContact CG-CD1 3.7Å; R190-L194 PolarHBondContact O-N 3.27Å; I191-L194 VanDerWaalsContact O-CB 3.28Å; I191-L194 WeakPolarHBondContact O-CB 3.27Å; I191-L194 PolarHBondContact O-N 2.95Å; I191-L194 VanDerWaalsContact O-N 3.09Å; V192-L194 PolarHBondContact O-N 3.26Å; L194-N196 PolarHBondContact O-N 3.49Å; L194-D197 VanDerWaalsContact O-CB 3.29Å; L194-D197 WeakPolarHBondContact O-CB 3.46Å; L194-D197 PolarHBondContact O-N 2.72Å; L194-D197 VanDerWaalsContact O-N 3.09Å; L194-V202 HydrophobicContact CD2-CG1 4.26Å; L194-A206 HydrophobicContact CB-CB 3.68Å; L194-A206 HydrophobicContact CD1-CB 4.16Å |
| 195 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -61.2 | -21.7 | 168.7 | -67.8 | 176.7 | 0 | 0 | 0 | 112.1 | V192 H193 V203 C207 I210 L227 A228 R231 L260 | V192-L195 WeakPolarHBondContact O-CB 3.43Å; V192-L195 PolarHBondContact O-N 2.99Å; V192-L195 VanDerWaalsContact O-N 3.08Å; H193-L195 PolarHBondContact O-N 2.84Å; H193-L195 VanDerWaalsContact O-N 3.16Å; L195-V203 HydrophobicContact CD2-CG1 4.22Å; L195-C207 HydrophobicContact CD2-CB 3.98Å; L195-I210 HydrophobicContact CD1-CD1 3.92Å; L195-I210 HydrophobicContact CD2-CD1 3.92Å; L195-I210 HydrophobicContact CG-CD1 3.64Å; L195-L227 HydrophobicContact CB-CB 4.01Å; L195-L227 HydrophobicContact CB-CD1 4.4Å; L195-L227 HydrophobicContact CD1-CB 4.01Å; L195-A228 HydrophobicContact CD1-CB 4.45Å; L195-R231 WeakPolarHBondContact O-CD 3.43Å; L195-R231 WeakPolarHBondContact O-CG 3.19Å; L195-R231 PolarHBondContact O-NE 2.94Å; L195-R231 VanDerWaalsContact O-NE 3.07Å; L195-L260 HydrophobicContact CD2-CD2 4.38Å |
| 196 | N | 96.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -89.8 | -0.5 | 175.4 | -78.3 | -35 | 0 | 0 | 0 | 115.3 | H193 L194 L227 R231 | H193-N196 WeakPolarHBondContact O-CB 3.42Å; H193-N196 PolarHBondContact O-N 2.8Å; L194-N196 PolarHBondContact O-N 3.49Å; N196-L227 VanDerWaalsContact ND2-CD2 3.31Å; N196-L227 WeakPolarHBondContact ND2-CD2 3.43Å; N196-R231 PolarHBondContact O-NH2 3.34Å |
| 197 | D | 96.8 | Very high | 96.9 | Very high | 28 Ų | 28 | 38 Ų | 38 | 15% | 0.15 | 19% | 0.192 | C | C | . | . | trans | -56.6 | 150.5 | -178.9 | -160 | -68.4 | 0 | 0 | 0 | 111.5 | K164 L194 H199 V202 V203 R231 | K164-D197 IonicContact NZ-OD2 3.07Å; L194-D197 VanDerWaalsContact O-CB 3.29Å; L194-D197 WeakPolarHBondContact O-CB 3.46Å; L194-D197 PolarHBondContact O-N 2.72Å; L194-D197 VanDerWaalsContact O-N 3.09Å; D197-H199 PolarHBondContact OD1-N 2.75Å; D197-V202 HydrophobicContact CB-CB 4.22Å; D197-V202 HydrophobicContact CB-CG1 4Å; D197-V203 HydrophobicContact CB-CG2 4.05Å; D197-R231 PolarHBondContact O-NH1 2.94Å | ||
| 198 | Q | 93.9 | Very high | 97.1 | Very high | 190 Ų | 190 | 37.5 Ų | 37.5 | 89% | 0.888 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -71.8 | -35.1 | 178.2 | -65.6 | -174.8 | 3.6 | 0 | 0 | 110.7 | I200 | Q198-I200 PolarHBondContact O-N 3.24Š|
| 199 | H | 95.5 | Very high | 97.3 | Very high | 57 Ų | 57 | 36.5 Ų | 36.5 | 26% | 0.264 | 19% | 0.185 | S | C | . | . | trans | -86.1 | 112 | -175.3 | -170.1 | -78.9 | 0 | 0 | 0 | 111.3 | D161 Q165 D197 G201 V202 V203 Y246 | D161-H199 HydrophobicContact CB-CB 4.18Å; D161-H199 IonicContact OD2-CD2 3.37Å; D161-H199 PolarHBondContact OD2-CD2 2.86Å; D161-H199 IonicContact OD2-CG 3.72Å; Q165-H199 PolarHBondContact NE2-CE1 2.8Å; Q165-H199 PolarHBondContact NE2-ND1 3.42Å; D197-H199 PolarHBondContact OD1-N 2.75Å; H199-G201 PolarHBondContact ND1-N 2.85Å; H199-G201 VanDerWaalsContact ND1-N 3.19Å; H199-G201 PolarHBondContact O-N 3.44Å; H199-G201 VanDerWaalsContact O-N 3.14Å; H199-V202 HydrophobicContact CB-CB 4.46Å; H199-V202 HydrophobicContact CB-CG2 3.97Å; H199-V202 PolarHBondContact ND1-N 2.88Å; H199-V202 WeakPolarHBondContact O-CB 3.34Å; H199-V202 PolarHBondContact O-N 3.15Å; H199-V203 PolarHBondContact O-N 3.4Å; H199-Y246 PolarHBondContact CE1-OH 2.97Å; H199-Y246 PolarHBondContact NE2-OH 3.31Å | ||
| 200 | I | 96.2 | Very high | 97.4 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -32.8 | -176.4 | -62.2 | -61.8 | 0 | 0 | 0 | 113.1 | Q198 V202 V203 T204 L243 Y246 A253 L256 | Q198-I200 PolarHBondContact O-N 3.24Å; I200-V202 VanDerWaalsContact C-N 3.32Å; I200-V202 PolarHBondContact O-N 3.01Å; I200-V203 PolarHBondContact O-N 3.25Å; I200-T204 WeakPolarHBondContact O-CB 3.36Å; I200-T204 PolarHBondContact O-N 3.5Å; I200-T204 PolarHBondContact O-OG1 2.92Å; I200-L243 HydrophobicContact CD1-CD2 4.46Å; I200-L243 HydrophobicContact CG1-CD2 4.33Å; I200-Y246 HydrophobicContact CB-CD1 3.93Å; I200-Y246 HydrophobicContact CB-CD2 3.83Å; I200-Y246 HydrophobicContact CB-CE1 3.9Å; I200-Y246 HydrophobicContact CB-CE2 3.82Å; I200-Y246 HydrophobicContact CB-CG 3.89Å; I200-Y246 HydrophobicContact CG1-CD2 4.22Å; I200-Y246 HydrophobicContact CG1-CE2 4.47Å; I200-Y246 HydrophobicContact CG1-CG 4.47Å; I200-Y246 HydrophobicContact CG2-CD1 3.5Å; I200-Y246 VanDerWaalsContact CG2-CD1 3.5Å; I200-Y246 HydrophobicContact CG2-CD2 4.18Å; I200-Y246 HydrophobicContact CG2-CE1 3.82Å; I200-Y246 HydrophobicContact CG2-CE2 4.47Å; I200-Y246 HydrophobicContact CG2-CG 3.7Å; I200-A253 HydrophobicContact CG2-CB 4.37Å; I200-L256 HydrophobicContact CD1-CD2 4.36Å; I200-L256 HydrophobicContact CG2-CD2 3.83Å |
| 201 | G | 96.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 28 Ų | 28 | 7% | 0.072 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.4 | -40.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q165 H199 T204 S205 Y246 | Q165-G201 WeakPolarHBondContact CG-O 3.29Å; H199-G201 PolarHBondContact ND1-N 2.85Å; H199-G201 VanDerWaalsContact ND1-N 3.19Å; H199-G201 PolarHBondContact O-N 3.44Å; H199-G201 VanDerWaalsContact O-N 3.14Å; G201-T204 PolarHBondContact O-N 3.24Å; G201-S205 PolarHBondContact O-N 2.79Å; G201-S205 VanDerWaalsContact O-N 3.07Å; G201-S205 PolarHBondContact O-OG 2.79Å; G201-Y246 PolarHBondContact N-OH 3.32Å; G201-Y246 VanDerWaalsContact N-OH 3.13Å |
| 202 | V | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -49.8 | 176.9 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | D161 K164 Q165 L194 D197 H199 I200 T204 S205 A206 | D161-V202 HydrophobicContact CB-CG2 3.78Å; D161-V202 WeakPolarHBondContact O-CG2 3.36Å; K164-V202 HydrophobicContact CB-CG1 4.19Å; K164-V202 HydrophobicContact CB-CG2 4.22Å; K164-V202 HydrophobicContact CD-CG1 4.26Å; K164-V202 HydrophobicContact CD-CG2 4.42Å; Q165-V202 HydrophobicContact CG-CG2 4.1Å; L194-V202 HydrophobicContact CD2-CG1 4.26Å; D197-V202 HydrophobicContact CB-CB 4.22Å; D197-V202 HydrophobicContact CB-CG1 4Å; H199-V202 HydrophobicContact CB-CB 4.46Å; H199-V202 HydrophobicContact CB-CG2 3.97Å; H199-V202 PolarHBondContact ND1-N 2.88Å; H199-V202 WeakPolarHBondContact O-CB 3.34Å; H199-V202 PolarHBondContact O-N 3.15Å; I200-V202 VanDerWaalsContact C-N 3.32Å; I200-V202 PolarHBondContact O-N 3.01Å; V202-T204 VanDerWaalsContact C-N 3.28Å; V202-T204 PolarHBondContact O-N 3.47Å; V202-S205 PolarHBondContact O-N 2.89Å; V202-S205 PolarHBondContact O-OG 3.43Å; V202-A206 WeakPolarHBondContact O-CB 3.05Å; V202-A206 PolarHBondContact O-N 3.02Å |
| 203 | V | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.4 | -42.6 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | L195 D197 H199 I200 A206 C207 L256 | L195-V203 HydrophobicContact CD2-CG1 4.22Å; D197-V203 HydrophobicContact CB-CG2 4.05Å; H199-V203 PolarHBondContact O-N 3.4Å; I200-V203 PolarHBondContact O-N 3.25Å; V203-A206 PolarHBondContact O-N 3.18Å; V203-C207 WeakPolarHBondContact O-CB 3.15Å; V203-C207 PolarHBondContact O-N 3.5Å; V203-L256 HydrophobicContact CB-CD2 4.2Å; V203-L256 HydrophobicContact CG1-CD1 3.89Å; V203-L256 HydrophobicContact CG1-CD2 3.79Å |
| 204 | T | 98.3 | Very high | 97.3 | Very high | 30 Ų | 30 | 23.9 Ų | 23.9 | 18% | 0.184 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 179.9 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | I200 G201 V202 S208 K259 | I200-T204 WeakPolarHBondContact O-CB 3.36Å; I200-T204 PolarHBondContact O-N 3.5Å; I200-T204 PolarHBondContact O-OG1 2.92Å; G201-T204 PolarHBondContact O-N 3.24Å; V202-T204 VanDerWaalsContact C-N 3.28Å; V202-T204 PolarHBondContact O-N 3.47Å; T204-S208 PolarHBondContact O-N 3.14Å; T204-S208 PolarHBondContact O-OG 3.43Å; T204-K259 HydrophobicContact CG2-CD 3.85Å |
| 205 | S | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.2 | -43.1 | 177 | 66.7 | 0 | 0 | 0 | 0 | 112.1 | Q165 G201 V202 S208 L209 | Q165-S205 WeakPolarHBondContact CA-OG 3.36Å; G201-S205 PolarHBondContact O-N 2.79Å; G201-S205 VanDerWaalsContact O-N 3.07Å; G201-S205 PolarHBondContact O-OG 2.79Å; V202-S205 PolarHBondContact O-N 2.89Å; V202-S205 PolarHBondContact O-OG 3.43Å; S205-S208 WeakPolarHBondContact O-CB 3.48Å; S205-S208 PolarHBondContact O-N 3.34Å; S205-L209 PolarHBondContact O-N 2.77Å; S205-L209 VanDerWaalsContact O-N 3.14Å |
| 206 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L194 V202 V203 S208 L209 I210 | L194-A206 HydrophobicContact CB-CB 3.68Å; L194-A206 HydrophobicContact CD1-CB 4.16Å; V202-A206 WeakPolarHBondContact O-CB 3.05Å; V202-A206 PolarHBondContact O-N 3.02Å; V203-A206 PolarHBondContact O-N 3.18Å; A206-S208 VanDerWaalsContact C-N 3.3Å; A206-S208 PolarHBondContact O-N 3.12Å; A206-L209 WeakPolarHBondContact O-CB 3.45Å; A206-L209 PolarHBondContact O-N 3.14Å; A206-L209 VanDerWaalsContact O-N 3.09Å; A206-I210 WeakPolarHBondContact O-CB 3.38Å; A206-I210 VanDerWaalsContact O-CG1 3.23Å; A206-I210 WeakPolarHBondContact O-CG1 3.33Å; A206-I210 PolarHBondContact O-N 2.89Å |
| 207 | C | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -40.5 | 175.4 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | L195 V203 L209 I210 D211 L256 | L195-C207 HydrophobicContact CD2-CB 3.98Å; V203-C207 WeakPolarHBondContact O-CB 3.15Å; V203-C207 PolarHBondContact O-N 3.5Å; C207-L209 VanDerWaalsContact C-N 3.29Å; C207-L209 PolarHBondContact O-N 3.4Å; C207-I210 PolarHBondContact O-N 2.81Å; C207-D211 WeakPolarHBondContact O-CB 3.39Å; C207-D211 PolarHBondContact O-N 2.71Å; C207-L256 HydrophobicContact CB-CD1 4.19Å |
| 208 | S | 98.4 | Very high | 96.6 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 11% | 0.105 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -34 | 175.5 | -55.2 | 0 | 0 | 0 | 0 | 112.9 | T204 S205 A206 K259 | T204-S208 PolarHBondContact O-N 3.14Å; T204-S208 PolarHBondContact O-OG 3.43Å; S205-S208 WeakPolarHBondContact O-CB 3.48Å; S205-S208 PolarHBondContact O-N 3.34Å; A206-S208 VanDerWaalsContact C-N 3.3Å; A206-S208 PolarHBondContact O-N 3.12Å; S208-K259 WeakPolarHBondContact OG-CD 3.24Å; S208-K259 WeakPolarHBondContact OG-CE 3.25Å; S208-K259 PolarHBondContact OG-NZ 2.77Å |
| 209 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.5 | -48.5 | 173.5 | 173 | 64.3 | 0 | 0 | 0 | 111.1 | L154 A168 L171 L172 L175 I191 S205 A206 C207 D211 L212 L213 | L154-L209 HydrophobicContact CD2-CD2 3.56Å; A168-L209 HydrophobicContact CB-CD2 4.44Å; L171-L209 HydrophobicContact CB-CD1 4.42Å; L171-L209 HydrophobicContact CD2-CD1 4.36Å; L171-L209 HydrophobicContact CD2-CD2 3.86Å; L171-L209 HydrophobicContact CG-CD1 4.1Å; L171-L209 HydrophobicContact CG-CD2 4.38Å; L172-L209 HydrophobicContact CB-CD1 4Å; L175-L209 HydrophobicContact CD1-CD1 3.67Å; I191-L209 HydrophobicContact CG2-CD2 4.08Å; S205-L209 PolarHBondContact O-N 2.77Å; S205-L209 VanDerWaalsContact O-N 3.14Å; A206-L209 WeakPolarHBondContact O-CB 3.45Å; A206-L209 PolarHBondContact O-N 3.14Å; A206-L209 VanDerWaalsContact O-N 3.09Å; C207-L209 VanDerWaalsContact C-N 3.29Å; C207-L209 PolarHBondContact O-N 3.4Å; L209-D211 VanDerWaalsContact C-N 3.3Å; L209-D211 PolarHBondContact O-N 2.83Å; L209-L212 PolarHBondContact O-N 2.96Å; L209-L212 VanDerWaalsContact O-N 3.13Å; L209-L213 HydrophobicContact CD1-CD1 3.77Å; L209-L213 HydrophobicContact CD1-CG 4.01Å; L209-L213 HydrophobicContact CD2-CD1 4.18Å; L209-L213 HydrophobicContact CG-CD1 3.6Å; L209-L213 HydrophobicContact CG-CG 4.23Å; L209-L213 WeakPolarHBondContact O-CG 3.46Å; L209-L213 PolarHBondContact O-N 2.8Å |
| 210 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.3 | -35.2 | -179 | -66.4 | 163 | 0 | 0 | 0 | 111.5 | I191 L195 A206 C207 L212 L213 S214 F221 L263 | I191-I210 HydrophobicContact CG2-CD1 4.31Å; I191-I210 HydrophobicContact CG2-CG1 3.81Å; L195-I210 HydrophobicContact CD1-CD1 3.92Å; L195-I210 HydrophobicContact CD2-CD1 3.92Å; L195-I210 HydrophobicContact CG-CD1 3.64Å; A206-I210 WeakPolarHBondContact O-CB 3.38Å; A206-I210 VanDerWaalsContact O-CG1 3.23Å; A206-I210 WeakPolarHBondContact O-CG1 3.33Å; A206-I210 PolarHBondContact O-N 2.89Å; C207-I210 PolarHBondContact O-N 2.81Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 2.85Å; I210-L213 PolarHBondContact O-N 2.8Å; I210-S214 VanDerWaalsContact O-CB 3.27Å; I210-S214 WeakPolarHBondContact O-CB 3.48Å; I210-S214 PolarHBondContact O-N 2.79Å; I210-S214 PolarHBondContact O-OG 2.96Å; I210-F221 HydrophobicContact CG1-CD1 4.47Å; I210-F221 HydrophobicContact CG2-CD1 4.16Å; I210-L263 HydrophobicContact CG2-CD1 3.82Å; I210-L263 HydrophobicContact CG2-CD2 3.89Å |
| 211 | D | 98.1 | Very high | 96.6 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 16% | 0.16 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.3 | -45.6 | 172.9 | 179.3 | 54.5 | 0 | 0 | 0 | 111.9 | C207 L209 S214 R215 N266 | C207-D211 WeakPolarHBondContact O-CB 3.39Å; C207-D211 PolarHBondContact O-N 2.71Å; L209-D211 VanDerWaalsContact C-N 3.3Å; L209-D211 PolarHBondContact O-N 2.83Å; D211-S214 PolarHBondContact O-OG 2.82Å; D211-R215 VanDerWaalsContact CG-NH2 3.35Å; D211-R215 IonicContact OD1-CZ 3.45Å; D211-R215 IonicContact OD1-NE 3.94Å; D211-R215 IonicContact OD1-NH2 3.88Å; D211-R215 PolarHBondContact OD1-NH2 2.93Å; D211-R215 IonicContact OD2-CZ 3.76Å; D211-R215 IonicContact OD2-NH2 3.87Å; D211-R215 PolarHBondContact OD2-NH2 2.79Å; D211-N266 PolarHBondContact O-ND2 3.49Å; D211-N266 PolarHBondContact OD1-ND2 3.02Å |
| 212 | L | 96.4 | Very high | 96.6 | Very high | 48 Ų | 48 | 37.7 Ų | 37.7 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68 | -44.1 | 175.1 | -179.7 | 67 | 0 | 0 | 0 | 111.7 | L172 L175 R176 L209 I210 R215 K216 | L172-L212 HydrophobicContact CD1-CB 3.72Å; L172-L212 HydrophobicContact CD1-CD2 3.54Å; L172-L212 HydrophobicContact CD1-CG 4.26Å; L175-L212 HydrophobicContact CB-CD2 3.85Å; R176-L212 HydrophobicContact CG-CD2 3.81Å; L209-L212 PolarHBondContact O-N 2.96Å; L209-L212 VanDerWaalsContact O-N 3.13Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 2.85Å; L212-R215 PolarHBondContact O-N 2.74Å; L212-K216 PolarHBondContact O-N 3.3Å |
| 213 | L | 96.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -40 | -175 | -67.9 | 176.8 | 0 | 0 | 0 | 112.4 | L175 V184 I191 L209 I210 R215 K216 W217 F221 | L175-L213 HydrophobicContact CD1-CD2 3.51Å; L175-L213 HydrophobicContact CD1-CG 4.31Å; L175-L213 HydrophobicContact CD2-CD2 4.44Å; V184-L213 HydrophobicContact CB-CD2 4.32Å; V184-L213 HydrophobicContact CG1-CD1 3.72Å; V184-L213 HydrophobicContact CG1-CD2 3.66Å; V184-L213 HydrophobicContact CG1-CG 4.29Å; V184-L213 HydrophobicContact CG2-CD2 4.14Å; I191-L213 HydrophobicContact CD1-CD1 4.37Å; I191-L213 HydrophobicContact CG2-CD1 4.29Å; L209-L213 HydrophobicContact CD1-CD1 3.77Å; L209-L213 HydrophobicContact CD1-CG 4.01Å; L209-L213 HydrophobicContact CD2-CD1 4.18Å; L209-L213 HydrophobicContact CG-CD1 3.6Å; L209-L213 HydrophobicContact CG-CG 4.23Å; L209-L213 WeakPolarHBondContact O-CG 3.46Å; L209-L213 PolarHBondContact O-N 2.8Å; I210-L213 PolarHBondContact O-N 2.8Å; L213-R215 VanDerWaalsContact C-N 3.27Å; L213-R215 PolarHBondContact O-N 2.71Å; L213-K216 PolarHBondContact O-N 3.18Å; L213-K216 VanDerWaalsContact O-N 3.11Å; L213-W217 HydrophobicContact CD2-CE3 3.71Å; L213-W217 HydrophobicContact CD2-CZ3 3.45Å; L213-W217 VanDerWaalsContact CD2-CZ3 3.45Å; L213-W217 PolarHBondContact O-N 2.88Å; L213-F221 HydrophobicContact CB-CD1 4.06Å; L213-F221 HydrophobicContact CB-CD2 3.92Å; L213-F221 HydrophobicContact CB-CE1 3.84Å; L213-F221 HydrophobicContact CB-CE2 3.69Å; L213-F221 HydrophobicContact CB-CG 4.12Å; L213-F221 HydrophobicContact CB-CZ 3.68Å; L213-F221 HydrophobicContact CD1-CE1 3.62Å; L213-F221 HydrophobicContact CD1-CE2 4.24Å; L213-F221 HydrophobicContact CD1-CZ 3.45Å; L213-F221 VanDerWaalsContact CD1-CZ 3.45Å; L213-F221 HydrophobicContact CG-CE1 4.37Å; L213-F221 HydrophobicContact CG-CE2 4.41Å; L213-F221 HydrophobicContact CG-CZ 4.07Å |
| 214 | S | 96.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -30 | 177.2 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | I210 D211 P218 L263 N266 Y267 | I210-S214 VanDerWaalsContact O-CB 3.27Å; I210-S214 WeakPolarHBondContact O-CB 3.48Å; I210-S214 PolarHBondContact O-N 2.79Å; I210-S214 PolarHBondContact O-OG 2.96Å; D211-S214 PolarHBondContact O-OG 2.82Å; S214-P218 WeakPolarHBondContact O-CA 3.47Å; S214-P218 WeakPolarHBondContact O-CB 3.49Å; S214-P218 WeakPolarHBondContact O-CG 3.38Å; S214-L263 WeakPolarHBondContact OG-CD1 3.47Å; S214-N266 PolarHBondContact OG-ND2 2.77Å; S214-Y267 VanDerWaalsContact CB-OH 3.27Å; S214-Y267 WeakPolarHBondContact CB-OH 3.27Å |
| 215 | R | 94.7 | Very high | 96.4 | Very high | 132 Ų | 132 | 39.4 Ų | 39.4 | 50% | 0.498 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -72.4 | -31.5 | 173.2 | -65.8 | -176.9 | -167.7 | 156.1 | 20.6 | 113 | D211 L212 L213 N266 | D211-R215 VanDerWaalsContact CG-NH2 3.35Å; D211-R215 IonicContact OD1-CZ 3.45Å; D211-R215 IonicContact OD1-NE 3.94Å; D211-R215 IonicContact OD1-NH2 3.88Å; D211-R215 PolarHBondContact OD1-NH2 2.93Å; D211-R215 IonicContact OD2-CZ 3.76Å; D211-R215 IonicContact OD2-NH2 3.87Å; D211-R215 PolarHBondContact OD2-NH2 2.79Å; L212-R215 PolarHBondContact O-N 2.74Å; L213-R215 VanDerWaalsContact C-N 3.27Å; L213-R215 PolarHBondContact O-N 2.71Å; R215-N266 HydrophobicContact CG-CB 4.4Å; R215-N266 PolarHBondContact NE-OD1 3.45Å |
| 216 | K | 91.8 | Very high | 96.4 | Very high | 104 Ų | 104 | 41.5 Ų | 41.5 | 45% | 0.452 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -92.5 | -32.5 | -176.2 | -173.3 | 164.7 | -178.7 | 177.8 | 0 | 113.5 | P179 L212 L213 | P179-K216 VanDerWaalsContact CG-NZ 3.28Å; L212-K216 PolarHBondContact O-N 3.3Å; L213-K216 PolarHBondContact O-N 3.18Å; L213-K216 VanDerWaalsContact O-N 3.11Å |
| 217 | W | 94 | Very high | 96.4 | Very high | 48 Ų | 48 | 43.3 Ų | 43.3 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -131.9 | 68 | 179.2 | -65.8 | -80 | 0 | 0 | 0 | 109.9 | L175 V184 L213 T219 E220 F221 | L175-W217 HydrophobicContact CD2-CH2 4.14Å; L175-W217 HydrophobicContact CD2-CZ3 4.25Å; V184-W217 HydrophobicContact CB-CZ3 4.43Å; V184-W217 HydrophobicContact CG2-CH2 4.35Å; V184-W217 HydrophobicContact CG2-CZ3 4.38Å; L213-W217 HydrophobicContact CD2-CE3 3.71Å; L213-W217 HydrophobicContact CD2-CZ3 3.45Å; L213-W217 VanDerWaalsContact CD2-CZ3 3.45Å; L213-W217 PolarHBondContact O-N 2.88Å; W217-T219 VanDerWaalsContact C-N 3.3Å; W217-T219 PolarHBondContact O-N 2.82Å; W217-E220 HydrophobicContact CB-CB 4.38Å; W217-E220 WeakPolarHBondContact CB-OE2 3.27Å; W217-E220 PolarHBondContact O-N 2.98Å; W217-F221 HydrophobicContact CB-CD2 3.94Å; W217-F221 HydrophobicContact CB-CE2 4.15Å; W217-F221 WeakPolarHBondContact O-CD2 3.44Å; W217-F221 PolarHBondContact O-N 3.48Å |
| 218 | P | 94.6 | Very high | 96.3 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.9 | -36.7 | -172.4 | -20.9 | 31.4 | 0 | 0 | 0 | 113.5 | S214 K222 Y267 | S214-P218 WeakPolarHBondContact O-CA 3.47Å; S214-P218 WeakPolarHBondContact O-CB 3.49Å; S214-P218 WeakPolarHBondContact O-CG 3.38Å; P218-K222 PolarHBondContact O-N 3.07Å; P218-K222 VanDerWaalsContact O-N 3.09Å; P218-Y267 HydrophobicContact CB-CE1 4.41Å; P218-Y267 WeakPolarHBondContact O-CE1 3.44Å; P218-Y267 PolarHBondContact O-OH 3.26Å; P218-Y267 VanDerWaalsContact O-OH 3.08Å |
| 219 | T | 94.9 | Very high | 96.4 | Very high | 123 Ų | 123 | 42.6 Ų | 42.6 | 76% | 0.755 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -67.6 | -46.6 | -176.8 | -52 | 0 | 0 | 0 | 0 | 111.5 | W217 F221 K222 | W217-T219 VanDerWaalsContact C-N 3.3Å; W217-T219 PolarHBondContact O-N 2.82Å; T219-F221 VanDerWaalsContact C-N 3.29Å; T219-F221 PolarHBondContact O-N 3.44Å; T219-K222 PolarHBondContact O-N 2.94Å |
| 220 | E | 94.3 | Very high | 96.3 | Very high | 81 Ų | 81 | 43.7 Ų | 43.7 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.9 | -28.8 | -177.4 | -62.8 | 92.2 | 146.9 | 0 | 0 | 112.4 | W217 | W217-E220 HydrophobicContact CB-CB 4.38Å; W217-E220 WeakPolarHBondContact CB-OE2 3.27Å; W217-E220 PolarHBondContact O-N 2.98Å |
| 221 | F | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -100.3 | 3.3 | -178.9 | -71.8 | -89.9 | 0 | 0 | 0 | 113.8 | V184 I191 V192 I210 L213 W217 T219 G223 S224 Y267 | V184-F221 HydrophobicContact CG1-CE2 4.2Å; V184-F221 HydrophobicContact CG1-CZ 3.79Å; I191-F221 HydrophobicContact CB-CE1 4.38Å; I191-F221 HydrophobicContact CG2-CE1 4.08Å; V192-F221 HydrophobicContact CG2-CD1 3.59Å; V192-F221 HydrophobicContact CG2-CE1 4.07Å; V192-F221 HydrophobicContact CG2-CG 4.46Å; I210-F221 HydrophobicContact CG1-CD1 4.47Å; I210-F221 HydrophobicContact CG2-CD1 4.16Å; L213-F221 HydrophobicContact CB-CD1 4.06Å; L213-F221 HydrophobicContact CB-CD2 3.92Å; L213-F221 HydrophobicContact CB-CE1 3.84Å; L213-F221 HydrophobicContact CB-CE2 3.69Å; L213-F221 HydrophobicContact CB-CG 4.12Å; L213-F221 HydrophobicContact CB-CZ 3.68Å; L213-F221 HydrophobicContact CD1-CE1 3.62Å; L213-F221 HydrophobicContact CD1-CE2 4.24Å; L213-F221 HydrophobicContact CD1-CZ 3.45Å; L213-F221 VanDerWaalsContact CD1-CZ 3.45Å; L213-F221 HydrophobicContact CG-CE1 4.37Å; L213-F221 HydrophobicContact CG-CE2 4.41Å; L213-F221 HydrophobicContact CG-CZ 4.07Å; W217-F221 HydrophobicContact CB-CD2 3.94Å; W217-F221 HydrophobicContact CB-CE2 4.15Å; W217-F221 WeakPolarHBondContact O-CD2 3.44Å; W217-F221 PolarHBondContact O-N 3.48Å; T219-F221 VanDerWaalsContact C-N 3.29Å; T219-F221 PolarHBondContact O-N 3.44Å; F221-G223 PolarHBondContact O-N 2.94Å; F221-G223 VanDerWaalsContact O-N 3.13Å; F221-S224 VanDerWaalsContact O-CB 3.25Å; F221-S224 WeakPolarHBondContact O-CB 3.37Å; F221-S224 PolarHBondContact O-N 3.18Å; F221-S224 PolarHBondContact O-OG 3.06Å; F221-Y267 WeakPolarHBondContact CB-OH 3.36Å; F221-Y267 PolarHBondContact O-OH 3.22Å |
| 222 | K | 96 | Very high | 96.3 | Very high | 109 Ų | 109 | 43.5 Ų | 43.5 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -34.7 | 178.6 | -172.6 | 176.6 | -177.2 | 176.5 | 0 | 112.7 | P218 T219 S224 V225 Y267 E271 | P218-K222 PolarHBondContact O-N 3.07Å; P218-K222 VanDerWaalsContact O-N 3.09Å; T219-K222 PolarHBondContact O-N 2.94Å; K222-S224 PolarHBondContact O-N 3.35Å; K222-V225 WeakPolarHBondContact O-CG2 3.26Å; K222-V225 PolarHBondContact O-N 2.7Å; K222-Y267 HydrophobicContact CB-CE1 4.21Å; K222-Y267 HydrophobicContact CG-CE1 4.42Å; K222-Y267 PolarHBondContact N-OH 3.22Å; K222-E271 IonicContact NZ-OE1 3.96Å; K222-E271 PolarHBondContact NZ-OE1 3.47Å; K222-E271 IonicContact NZ-OE2 2.8Å |
| 223 | G | 95.1 | Very high | 96.4 | Very high | 49 Ų | 49 | 42.3 Ų | 42.3 | 51% | 0.505 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -13.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F221 V225 | F221-G223 PolarHBondContact O-N 2.94Å; F221-G223 VanDerWaalsContact O-N 3.13Å; G223-V225 VanDerWaalsContact C-N 3.33Å |
| 224 | S | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70 | -25.5 | 175.8 | 64.8 | 0 | 0 | 0 | 0 | 113.7 | F221 K222 L227 A228 | F221-S224 VanDerWaalsContact O-CB 3.25Å; F221-S224 WeakPolarHBondContact O-CB 3.37Å; F221-S224 PolarHBondContact O-N 3.18Å; F221-S224 PolarHBondContact O-OG 3.06Å; K222-S224 PolarHBondContact O-N 3.35Å; S224-L227 PolarHBondContact O-N 2.77Å; S224-A228 VanDerWaalsContact O-CB 3.22Å; S224-A228 WeakPolarHBondContact O-CB 3.48Å; S224-A228 PolarHBondContact O-N 2.56Å |
| 225 | V | 97.9 | Very high | 96.5 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59 | -55.3 | -175.7 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | K222 G223 L227 A228 I229 L264 Y267 P270 | K222-V225 WeakPolarHBondContact O-CG2 3.26Å; K222-V225 PolarHBondContact O-N 2.7Å; G223-V225 VanDerWaalsContact C-N 3.33Å; V225-L227 VanDerWaalsContact C-N 3.3Å; V225-L227 PolarHBondContact O-N 2.74Å; V225-A228 PolarHBondContact O-N 2.9Å; V225-I229 HydrophobicContact CG1-CD1 3.82Å; V225-I229 WeakPolarHBondContact O-CG1 3.47Å; V225-I229 PolarHBondContact O-N 3.49Å; V225-L264 HydrophobicContact CG1-CD2 4.01Å; V225-Y267 HydrophobicContact CG2-CD1 4.26Å; V225-Y267 HydrophobicContact CG2-CD2 3.53Å; V225-Y267 HydrophobicContact CG2-CE2 3.97Å; V225-Y267 HydrophobicContact CG2-CG 3.69Å; V225-P270 HydrophobicContact CG1-CG 4.16Å |
| 226 | S | 97.6 | Very high | 96.6 | Very high | 52 Ų | 52 | 44 Ų | 44 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -35.8 | -178.8 | -57 | 0 | 0 | 0 | 0 | 112.7 | A230 | S226-A230 WeakPolarHBondContact O-CB 3.45Å; S226-A230 PolarHBondContact O-N 3.41Å |
| 227 | L | 97.9 | Very high | 96.8 | Very high | 38 Ų | 38 | 43.2 Ų | 43.2 | 20% | 0.199 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.9 | -39.7 | 177.4 | -63 | -172 | 0 | 0 | 0 | 112 | V192 L195 N196 S224 V225 A230 R231 | V192-L227 HydrophobicContact CG1-CD1 3.78Å; V192-L227 WeakPolarHBondContact O-CD1 3.3Å; L195-L227 HydrophobicContact CB-CB 4.01Å; L195-L227 HydrophobicContact CB-CD1 4.4Å; L195-L227 HydrophobicContact CD1-CB 4.01Å; N196-L227 VanDerWaalsContact ND2-CD2 3.31Å; N196-L227 WeakPolarHBondContact ND2-CD2 3.43Å; S224-L227 PolarHBondContact O-N 2.77Å; V225-L227 VanDerWaalsContact C-N 3.3Å; V225-L227 PolarHBondContact O-N 2.74Å; L227-A230 PolarHBondContact O-N 2.78Å; L227-R231 WeakPolarHBondContact O-CB 3.36Å; L227-R231 WeakPolarHBondContact O-CG 3.48Å; L227-R231 PolarHBondContact O-N 3.15Å |
| 228 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L195 S224 V225 R231 L232 L260 L263 L264 | L195-A228 HydrophobicContact CD1-CB 4.45Å; S224-A228 VanDerWaalsContact O-CB 3.22Å; S224-A228 WeakPolarHBondContact O-CB 3.48Å; S224-A228 PolarHBondContact O-N 2.56Å; V225-A228 PolarHBondContact O-N 2.9Å; A228-R231 PolarHBondContact O-N 3.33Å; A228-L232 WeakPolarHBondContact O-CB 3.35Å; A228-L232 PolarHBondContact O-N 2.67Å; A228-L260 HydrophobicContact CB-CD2 3.79Å; A228-L263 HydrophobicContact CB-CD2 4.13Å; A228-L264 HydrophobicContact CB-CD2 4.1Å |
| 229 | I | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.2 | -66.8 | 163.9 | 0 | 0 | 0 | 110.9 | V225 R231 L232 S233 L264 P270 V275 R278 L279 | V225-I229 HydrophobicContact CG1-CD1 3.82Å; V225-I229 WeakPolarHBondContact O-CG1 3.47Å; V225-I229 PolarHBondContact O-N 3.49Å; I229-R231 VanDerWaalsContact C-N 3.29Å; I229-R231 PolarHBondContact O-N 3.39Å; I229-L232 PolarHBondContact O-N 3.41Å; I229-S233 VanDerWaalsContact O-CB 3.3Å; I229-S233 WeakPolarHBondContact O-CB 3.36Å; I229-S233 PolarHBondContact O-N 3.18Å; I229-L264 HydrophobicContact CD1-CD2 4.17Å; I229-L264 HydrophobicContact CG1-CD1 3.96Å; I229-L264 HydrophobicContact CG1-CD2 3.83Å; I229-P270 HydrophobicContact CD1-CG 3.85Å; I229-V275 HydrophobicContact CD1-CG1 3.4Å; I229-R278 HydrophobicContact CG2-CB 4.26Å; I229-R278 HydrophobicContact CG2-CG 3.97Å; I229-L279 HydrophobicContact CD1-CB 4.01Å; I229-L279 HydrophobicContact CD1-CD2 4.14Å; I229-L279 HydrophobicContact CG1-CB 4.22Å; I229-L279 HydrophobicContact CG1-CD1 4.27Å; I229-L279 HydrophobicContact CG2-CB 4.13Å |
| 230 | A | 97.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 41 Ų | 41 | 19% | 0.19 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S226 L227 R234 | S226-A230 WeakPolarHBondContact O-CB 3.45Å; S226-A230 PolarHBondContact O-N 3.41Å; L227-A230 PolarHBondContact O-N 2.78Å; A230-R234 WeakPolarHBondContact O-CG 3.5Å; A230-R234 PolarHBondContact O-N 3.36Å |
| 231 | R | 97.7 | Very high | 95.8 | Very high | 26 Ų | 26 | 41.1 Ų | 41.1 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.3 | -44.2 | 176.1 | -73.6 | -73.2 | 149 | 160.4 | 3.7 | 112.3 | L195 N196 D197 L227 A228 I229 S233 R234 I235 L260 | L195-R231 WeakPolarHBondContact O-CD 3.43Å; L195-R231 WeakPolarHBondContact O-CG 3.19Å; L195-R231 PolarHBondContact O-NE 2.94Å; L195-R231 VanDerWaalsContact O-NE 3.07Å; N196-R231 PolarHBondContact O-NH2 3.34Å; D197-R231 PolarHBondContact O-NH1 2.94Å; L227-R231 WeakPolarHBondContact O-CB 3.36Å; L227-R231 WeakPolarHBondContact O-CG 3.48Å; L227-R231 PolarHBondContact O-N 3.15Å; A228-R231 PolarHBondContact O-N 3.33Å; I229-R231 VanDerWaalsContact C-N 3.29Å; I229-R231 PolarHBondContact O-N 3.39Å; R231-S233 VanDerWaalsContact C-N 3.32Å; R231-S233 PolarHBondContact O-N 3.33Å; R231-R234 PolarHBondContact O-N 3.14Å; R231-I235 WeakPolarHBondContact O-CG1 2.85Å; R231-I235 PolarHBondContact O-N 2.68Å; R231-I235 VanDerWaalsContact O-N 3.14Å; R231-L260 HydrophobicContact CB-CD1 4.02Å |
| 232 | L | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 176.1 | -178.3 | 65.1 | 0 | 0 | 0 | 110.4 | A228 I229 R234 I235 V236 L260 L261 L264 L279 C282 | A228-L232 WeakPolarHBondContact O-CB 3.35Å; A228-L232 PolarHBondContact O-N 2.67Å; I229-L232 PolarHBondContact O-N 3.41Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 2.79Å; L232-I235 PolarHBondContact O-N 3.3Å; L232-V236 HydrophobicContact CD1-CG1 3.87Å; L232-V236 HydrophobicContact CG-CG1 4.12Å; L232-V236 WeakPolarHBondContact O-CG1 3.28Å; L232-V236 WeakPolarHBondContact O-CG2 3.35Å; L232-V236 PolarHBondContact O-N 3.49Å; L232-L260 HydrophobicContact CB-CD1 4.17Å; L232-L261 HydrophobicContact CD1-CG 4.29Å; L232-L261 HydrophobicContact CD2-CD2 3.61Å; L232-L261 HydrophobicContact CD2-CG 4.16Å; L232-L264 HydrophobicContact CD2-CD1 4.4Å; L232-L279 HydrophobicContact CD2-CD1 4.47Å; L232-C282 HydrophobicContact CD2-CB 4.11Å; L232-C282 HydrophobicContact CG-CB 4.32Å |
| 233 | S | 98.2 | Very high | 95.2 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -51.2 | -50.8 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | I229 R231 I235 V236 T237 C282 | I229-S233 VanDerWaalsContact O-CB 3.3Å; I229-S233 WeakPolarHBondContact O-CB 3.36Å; I229-S233 PolarHBondContact O-N 3.18Å; R231-S233 VanDerWaalsContact C-N 3.32Å; R231-S233 PolarHBondContact O-N 3.33Å; S233-I235 VanDerWaalsContact C-N 3.3Å; S233-I235 PolarHBondContact O-N 3.26Å; S233-V236 VanDerWaalsContact O-CG2 3.3Å; S233-V236 WeakPolarHBondContact O-CG2 3.47Å; S233-V236 PolarHBondContact O-N 2.91Å; S233-T237 WeakPolarHBondContact O-CG2 3.35Å; S233-T237 PolarHBondContact O-N 3.4Å; S233-T237 PolarHBondContact O-OG1 2.96Å; S233-C282 WeakPolarHBondContact CA-SG 3.37Å; S233-C282 VanDerWaalsContact CB-SG 3.56Å |
| 234 | R | 96.9 | Very high | 95 | Very high | 154 Ų | 154 | 47.6 Ų | 47.6 | 58% | 0.581 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.7 | -35.9 | 176.8 | -70.5 | 177.5 | 62 | -177.1 | -1.5 | 113.6 | A230 R231 L232 T237 A238 | A230-R234 WeakPolarHBondContact O-CG 3.5Å; A230-R234 PolarHBondContact O-N 3.36Å; R231-R234 PolarHBondContact O-N 3.14Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 2.79Å; R234-T237 PolarHBondContact O-OG1 3.21Å; R234-A238 WeakPolarHBondContact O-CB 3.29Å; R234-A238 PolarHBondContact O-N 3.02Å |
| 235 | I | 97.5 | Very high | 94.8 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.7 | -42.6 | -179.6 | -63.3 | 163.4 | 0 | 0 | 0 | 110.9 | R231 L232 S233 T237 A238 L243 P252 A253 L256 S257 L260 | R231-I235 WeakPolarHBondContact O-CG1 2.85Å; R231-I235 PolarHBondContact O-N 2.68Å; R231-I235 VanDerWaalsContact O-N 3.14Å; L232-I235 PolarHBondContact O-N 3.3Å; S233-I235 VanDerWaalsContact C-N 3.3Å; S233-I235 PolarHBondContact O-N 3.26Å; I235-T237 VanDerWaalsContact C-N 3.32Å; I235-T237 PolarHBondContact O-N 2.89Å; I235-A238 WeakPolarHBondContact O-CB 3.33Å; I235-A238 PolarHBondContact O-N 2.79Å; I235-L243 HydrophobicContact CG1-CD1 4.26Å; I235-P252 HydrophobicContact CG2-CB 4.28Å; I235-P252 WeakPolarHBondContact CG2-O 3.24Å; I235-A253 HydrophobicContact CD1-CB 4.38Å; I235-A253 HydrophobicContact CG2-CB 4.05Å; I235-L256 HydrophobicContact CD1-CB 4.41Å; I235-L256 HydrophobicContact CD1-CD2 3.61Å; I235-L256 HydrophobicContact CD1-CG 3.83Å; I235-S257 VanDerWaalsContact CG2-OG 3.28Å; I235-S257 WeakPolarHBondContact CG2-OG 3.45Å; I235-L260 HydrophobicContact CD1-CD1 3.94Å |
| 236 | V | 96.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.055 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.5 | -26.3 | -178.3 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | L232 S233 C282 T285 I286 K289 | L232-V236 HydrophobicContact CD1-CG1 3.87Å; L232-V236 HydrophobicContact CG-CG1 4.12Å; L232-V236 WeakPolarHBondContact O-CG1 3.28Å; L232-V236 WeakPolarHBondContact O-CG2 3.35Å; L232-V236 PolarHBondContact O-N 3.49Å; S233-V236 VanDerWaalsContact O-CG2 3.3Å; S233-V236 WeakPolarHBondContact O-CG2 3.47Å; S233-V236 PolarHBondContact O-N 2.91Å; V236-C282 HydrophobicContact CG2-CB 4.06Å; V236-T285 HydrophobicContact CB-CG2 4.22Å; V236-T285 HydrophobicContact CG2-CG2 4.35Å; V236-I286 HydrophobicContact CB-CG1 4.46Å; V236-I286 HydrophobicContact CG1-CD1 3.84Å; V236-I286 HydrophobicContact CG1-CG1 3.72Å; V236-K289 VanDerWaalsContact O-CE 3.27Å; V236-K289 WeakPolarHBondContact O-CE 3.45Å; V236-K289 PolarHBondContact O-NZ 3.04Å |
| 237 | T | 95.6 | Very high | 94.6 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -87.2 | -14.2 | 172.8 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | S233 R234 I235 | S233-T237 WeakPolarHBondContact O-CG2 3.35Å; S233-T237 PolarHBondContact O-N 3.4Å; S233-T237 PolarHBondContact O-OG1 2.96Å; R234-T237 PolarHBondContact O-OG1 3.21Å; I235-T237 VanDerWaalsContact C-N 3.32Å; I235-T237 PolarHBondContact O-N 2.89Å |
| 238 | A | 94.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | trans | -63.6 | 144.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R234 I235 D242 L243 P252 | R234-A238 WeakPolarHBondContact O-CB 3.29Å; R234-A238 PolarHBondContact O-N 3.02Å; I235-A238 WeakPolarHBondContact O-CB 3.33Å; I235-A238 PolarHBondContact O-N 2.79Å; A238-D242 HydrophobicContact CB-CB 4.18Å; A238-L243 HydrophobicContact CB-CD1 4.21Å; A238-P252 HydrophobicContact CB-CB 4.35Å; A238-P252 HydrophobicContact CB-CG 4.44Å | ||
| 239 | T | 90.1 | Very high | 94.3 | Very high | 65 Ų | 65 | 62.3 Ų | 62.3 | 40% | 0.399 | 31% | 0.308 | S | S | . | . | trans | -76.6 | 164.2 | 163 | 71.1 | 0 | 0 | 0 | 0 | 110 | T241 D242 | T239-T241 PolarHBondContact O-N 2.93Å; T239-T241 PolarHBondContact OG1-OG1 3.33Å; T239-D242 WeakPolarHBondContact CB-OD2 3.39Å; T239-D242 PolarHBondContact N-OD2 3.45Å; T239-D242 PolarHBondContact O-N 2.79Å; T239-D242 PolarHBondContact OG1-N 3.09Å; T239-D242 PolarHBondContact OG1-OD1 3.42Å; T239-D242 VanDerWaalsContact OG1-OD1 3.06Å; T239-D242 PolarHBondContact OG1-OD2 2.8Å | ||
| 240 | Y | 84.1 | Confident | 94.1 | Very high | 113 Ų | 113 | 66.3 Ų | 66.3 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -13.4 | 179 | 64.5 | -92.3 | 0 | 0 | 0 | 113.1 | T247 F250 | Y240-T247 WeakPolarHBondContact O-CB 3.27Å; Y240-T247 PolarHBondContact O-OG1 2.98Å; Y240-F250 HydrophobicContact CD1-CD1 4.39Å; Y240-F250 AromaticContact CD2-CD1 3.96Å; Y240-F250 HydrophobicContact CD2-CD1 3.96Å; Y240-F250 HydrophobicContact CD2-CE1 4.43Å; Y240-F250 HydrophobicContact CE2-CD1 4.3Å; Y240-F250 HydrophobicContact CE2-CE1 4.4Å; Y240-F250 HydrophobicContact CG-CD1 4.01Å |
| 241 | T | 88.1 | Confident | 94 | Very high | 84 Ų | 84 | 66 Ų | 66 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -26.9 | 176.6 | 42.7 | 0 | 0 | 0 | 0 | 113.6 | T239 L243 | T239-T241 PolarHBondContact O-N 2.93Å; T239-T241 PolarHBondContact OG1-OG1 3.33Å; T241-L243 VanDerWaalsContact C-N 3.27Å; T241-L243 PolarHBondContact O-N 3.19Å |
| 242 | D | 89.8 | Confident | 94 | Very high | 104 Ų | 104 | 65.5 Ų | 65.5 | 56% | 0.556 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -28.2 | -174.6 | -59.2 | -30.9 | 0 | 0 | 0 | 113.1 | A238 T239 | A238-D242 HydrophobicContact CB-CB 4.18Å; T239-D242 WeakPolarHBondContact CB-OD2 3.39Å; T239-D242 PolarHBondContact N-OD2 3.45Å; T239-D242 PolarHBondContact O-N 2.79Å; T239-D242 PolarHBondContact OG1-N 3.09Å; T239-D242 PolarHBondContact OG1-OD1 3.42Å; T239-D242 VanDerWaalsContact OG1-OD1 3.06Å; T239-D242 PolarHBondContact OG1-OD2 2.8Å |
| 243 | L | 91.7 | Very high | 93.9 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 43.8 | -177.1 | -62.9 | 175 | 0 | 0 | 0 | 111.2 | I200 I235 A238 T241 D245 Y246 T247 P252 A253 | I200-L243 HydrophobicContact CD1-CD2 4.46Å; I200-L243 HydrophobicContact CG1-CD2 4.33Å; I235-L243 HydrophobicContact CG1-CD1 4.26Å; A238-L243 HydrophobicContact CB-CD1 4.21Å; T241-L243 VanDerWaalsContact C-N 3.27Å; T241-L243 PolarHBondContact O-N 3.19Å; L243-D245 VanDerWaalsContact C-N 3.31Å; L243-D245 PolarHBondContact O-N 2.9Å; L243-D245 VanDerWaalsContact O-N 3.12Å; L243-Y246 CarbonylContact O-C 3.38Å; L243-Y246 WeakPolarHBondContact O-CA 3.37Å; L243-Y246 PolarHBondContact O-N 3.06Å; L243-T247 PolarHBondContact O-N 3.37Å; L243-T247 PolarHBondContact O-OG1 3Å; L243-P252 HydrophobicContact CD1-CB 4.2Å; L243-A253 HydrophobicContact CD1-CB 4.36Å |
| 244 | Q | 89.9 | Confident | 93.9 | Very high | 152 Ų | 152 | 64.9 Ų | 64.9 | 71% | 0.71 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -47.5 | -46 | -168.2 | -171.4 | 174.7 | 3.8 | 0 | 0 | 114.4 | Y246 T247 | Q244-Y246 PolarHBondContact O-N 3.43Å; Q244-T247 PolarHBondContact O-N 3.47Å |
| 245 | D | 92.6 | Very high | 93.9 | Very high | 155 Ų | 155 | 64.8 Ų | 64.8 | 83% | 0.829 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -66 | -17.7 | -179.6 | -66.5 | -27.3 | 0 | 0 | 0 | 114 | L243 | L243-D245 VanDerWaalsContact C-N 3.31Å; L243-D245 PolarHBondContact O-N 2.9Å; L243-D245 VanDerWaalsContact O-N 3.12Å |
| 246 | Y | 95.4 | Very high | 94 | Very high | 72 Ų | 72 | 64.5 Ų | 64.5 | 28% | 0.282 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -120 | 4 | -178.2 | -66.9 | -91.3 | 0 | 0 | 0 | 112.9 | H199 I200 G201 L243 Q244 A253 | H199-Y246 PolarHBondContact CE1-OH 2.97Å; H199-Y246 PolarHBondContact NE2-OH 3.31Å; I200-Y246 HydrophobicContact CB-CD1 3.93Å; I200-Y246 HydrophobicContact CB-CD2 3.83Å; I200-Y246 HydrophobicContact CB-CE1 3.9Å; I200-Y246 HydrophobicContact CB-CE2 3.82Å; I200-Y246 HydrophobicContact CB-CG 3.89Å; I200-Y246 HydrophobicContact CG1-CD2 4.22Å; I200-Y246 HydrophobicContact CG1-CE2 4.47Å; I200-Y246 HydrophobicContact CG1-CG 4.47Å; I200-Y246 HydrophobicContact CG2-CD1 3.5Å; I200-Y246 VanDerWaalsContact CG2-CD1 3.5Å; I200-Y246 HydrophobicContact CG2-CD2 4.18Å; I200-Y246 HydrophobicContact CG2-CE1 3.82Å; I200-Y246 HydrophobicContact CG2-CE2 4.47Å; I200-Y246 HydrophobicContact CG2-CG 3.7Å; G201-Y246 PolarHBondContact N-OH 3.32Å; G201-Y246 VanDerWaalsContact N-OH 3.13Å; L243-Y246 CarbonylContact O-C 3.38Å; L243-Y246 WeakPolarHBondContact O-CA 3.37Å; L243-Y246 PolarHBondContact O-N 3.06Å; Q244-Y246 PolarHBondContact O-N 3.43Å; Y246-A253 VanDerWaalsContact O-CA 3.28Å; Y246-A253 WeakPolarHBondContact O-CA 3.34Å; Y246-A253 PolarHBondContact O-N 3.14Å |
| 247 | T | 96.4 | Very high | 94.1 | Very high | 33 Ų | 33 | 64.3 Ų | 64.3 | 20% | 0.202 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 118.5 | 172.6 | -70.7 | 0 | 0 | 0 | 0 | 109.3 | Y240 L243 Q244 V251 | Y240-T247 WeakPolarHBondContact O-CB 3.27Å; Y240-T247 PolarHBondContact O-OG1 2.98Å; L243-T247 PolarHBondContact O-N 3.37Å; L243-T247 PolarHBondContact O-OG1 3Å; Q244-T247 PolarHBondContact O-N 3.47Å; T247-V251 WeakPolarHBondContact CA-O 3.23Å |
| 248 | Y | 95.9 | Very high | 94.2 | Very high | 80 Ų | 80 | 62 Ų | 62 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 114.8 | 175.1 | -177.4 | -102.6 | 0 | 0 | 0 | 110 | F250 V251 W255 Q300 A304 | Y248-F250 VanDerWaalsContact C-N 3.35Å; Y248-F250 PolarHBondContact O-N 2.83Å; Y248-V251 PolarHBondContact N-O 2.94Å; Y248-V251 WeakPolarHBondContact O-CB 3.3Å; Y248-V251 PolarHBondContact O-N 3.08Å; Y248-W255 AromaticContact CD1-CH2 3.97Å; Y248-W255 HydrophobicContact CD1-CH2 3.97Å; Y248-W255 AromaticContact CD2-CH2 3.58Å; Y248-W255 HydrophobicContact CD2-CH2 3.58Å; Y248-W255 HydrophobicContact CD2-CZ2 4.49Å; Y248-W255 HydrophobicContact CD2-CZ3 4.35Å; Y248-W255 HydrophobicContact CE2-CH2 4.15Å; Y248-W255 AromaticContact CG-CH2 3.45Å; Y248-W255 HydrophobicContact CG-CH2 3.45Å; Y248-W255 VanDerWaalsContact CG-CH2 3.45Å; Y248-W255 HydrophobicContact CG-CZ2 4.37Å; Y248-W255 HydrophobicContact CG-CZ3 4Å; Y248-Q300 HydrophobicContact CE1-CB 3.93Å; Y248-Q300 WeakPolarHBondContact OH-CG 3.38Å; Y248-A304 HydrophobicContact CD1-CB 3.81Å; Y248-A304 HydrophobicContact CE1-CB 4.25Å |
| 249 | Y | 94.8 | Very high | 94.4 | Very high | 75 Ų | 75 | 65.1 Ų | 65.1 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 54.1 | -179.5 | -72.8 | -110.1 | 0 | 0 | 0 | 112.3 | V251 K298 Q300 H301 | Y249-V251 PolarHBondContact O-N 3.05Å; Y249-V251 VanDerWaalsContact O-N 3.17Å; Y249-K298 HydrophobicContact CD1-CB 4.07Å; Y249-K298 HydrophobicContact CD1-CD 4.27Å; Y249-K298 HydrophobicContact CE1-CB 3.74Å; Y249-K298 HydrophobicContact CE1-CD 3.49Å; Y249-K298 VanDerWaalsContact CE1-CD 3.49Å; Y249-K298 HydrophobicContact CE1-CG 4.25Å; Y249-Q300 HydrophobicContact CD1-CB 3.82Å; Y249-Q300 HydrophobicContact CD2-CB 3.86Å; Y249-Q300 HydrophobicContact CE1-CB 3.59Å; Y249-Q300 HydrophobicContact CE1-CG 4.15Å; Y249-Q300 HydrophobicContact CE2-CB 3.7Å; Y249-Q300 HydrophobicContact CE2-CG 4.1Å; Y249-Q300 HydrophobicContact CG-CB 3.93Å; Y249-H301 HydrophobicContact CD1-CB 4.43Å; Y249-H301 PolarHBondContact O-ND1 3.04Å |
| 250 | F | 94.5 | Very high | 94.8 | Very high | 84 Ų | 84 | 62 Ų | 62 | 37% | 0.368 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 7.8 | -178.7 | -48.2 | -81.9 | 0 | 0 | 0 | 116.4 | Y240 Y248 K295 | Y240-F250 HydrophobicContact CD1-CD1 4.39Å; Y240-F250 AromaticContact CD2-CD1 3.96Å; Y240-F250 HydrophobicContact CD2-CD1 3.96Å; Y240-F250 HydrophobicContact CD2-CE1 4.43Å; Y240-F250 HydrophobicContact CE2-CD1 4.3Å; Y240-F250 HydrophobicContact CE2-CE1 4.4Å; Y240-F250 HydrophobicContact CG-CD1 4.01Å; Y248-F250 VanDerWaalsContact C-N 3.35Å; Y248-F250 PolarHBondContact O-N 2.83Å; F250-K295 HydrophobicContact CB-CB 4.12Å; F250-K295 HydrophobicContact CB-CD 4.1Å; F250-K295 HydrophobicContact CD2-CB 4.03Å; F250-K295 HydrophobicContact CG-CB 4.03Å |
| 251 | V | 95.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 115.7 | 172.4 | -171 | 0 | 0 | 0 | 0 | 108.3 | T247 Y248 Y249 A253 P254 A304 K305 | T247-V251 WeakPolarHBondContact CA-O 3.23Å; Y248-V251 PolarHBondContact N-O 2.94Å; Y248-V251 WeakPolarHBondContact O-CB 3.3Å; Y248-V251 PolarHBondContact O-N 3.08Å; Y249-V251 PolarHBondContact O-N 3.05Å; Y249-V251 VanDerWaalsContact O-N 3.17Å; V251-A253 PolarHBondContact O-N 2.82Å; V251-P254 HydrophobicContact CB-CB 4.46Å; V251-P254 HydrophobicContact CB-CG 4.44Å; V251-P254 HydrophobicContact CG1-CB 3.84Å; V251-P254 HydrophobicContact CG1-CG 4.3Å; V251-P254 WeakPolarHBondContact O-CD 3.42Å; V251-A304 HydrophobicContact CB-CB 4.34Å; V251-A304 HydrophobicContact CG2-CB 4.08Å; V251-K305 HydrophobicContact CG2-CB 4.23Å |
| 252 | P | 96.6 | Very high | 96 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 10% | 0.097 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 126.9 | 178.2 | -19.6 | 32.4 | 0 | 0 | 0 | 111.9 | I235 A238 L243 P254 | I235-P252 HydrophobicContact CG2-CB 4.28Å; I235-P252 WeakPolarHBondContact CG2-O 3.24Å; A238-P252 HydrophobicContact CB-CB 4.35Å; A238-P252 HydrophobicContact CB-CG 4.44Å; L243-P252 HydrophobicContact CD1-CB 4.2Å; P252-P254 VanDerWaalsContact C-CD 3.5Å; P252-P254 VanDerWaalsContact O-N 3.15Å |
| 253 | A | 97.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 40.4 | 50.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | I200 I235 L243 Y246 V251 W255 L256 S257 | I200-A253 HydrophobicContact CG2-CB 4.37Å; I235-A253 HydrophobicContact CD1-CB 4.38Å; I235-A253 HydrophobicContact CG2-CB 4.05Å; L243-A253 HydrophobicContact CD1-CB 4.36Å; Y246-A253 VanDerWaalsContact O-CA 3.28Å; Y246-A253 WeakPolarHBondContact O-CA 3.34Å; Y246-A253 PolarHBondContact O-N 3.14Å; V251-A253 PolarHBondContact O-N 2.82Å; A253-W255 PolarHBondContact O-N 3.33Å; A253-L256 HydrophobicContact CB-CB 4.29Å; A253-L256 PolarHBondContact O-N 2.83Å; A253-S257 PolarHBondContact O-N 2.94Å; A253-S257 PolarHBondContact O-OG 2.84Å |
| 254 | P | 97.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 5% | 0.045 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | -168.3 | 21.7 | -31.5 | 0 | 0 | 0 | 113.3 | V251 P252 L256 S257 V258 A304 V308 | V251-P254 HydrophobicContact CB-CB 4.46Å; V251-P254 HydrophobicContact CB-CG 4.44Å; V251-P254 HydrophobicContact CG1-CB 3.84Å; V251-P254 HydrophobicContact CG1-CG 4.3Å; V251-P254 WeakPolarHBondContact O-CD 3.42Å; P252-P254 VanDerWaalsContact C-CD 3.5Å; P252-P254 VanDerWaalsContact O-N 3.15Å; P254-L256 VanDerWaalsContact C-N 3.31Å; P254-L256 PolarHBondContact O-N 3.2Å; P254-S257 PolarHBondContact O-N 3.49Å; P254-V258 WeakPolarHBondContact O-CG2 3.38Å; P254-V258 PolarHBondContact O-N 2.78Å; P254-A304 HydrophobicContact CB-CB 4.37Å; P254-A304 HydrophobicContact CG-CB 4.38Å; P254-V308 HydrophobicContact CB-CG2 3.97Å |
| 255 | W | 98 | Very high | 97.1 | Very high | 152 Ų | 152 | 45.9 Ų | 45.9 | 58% | 0.576 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64.3 | -35.3 | 177.4 | -62 | -87.1 | 0 | 0 | 0 | 112.9 | Y248 A253 K259 | Y248-W255 AromaticContact CD1-CH2 3.97Å; Y248-W255 HydrophobicContact CD1-CH2 3.97Å; Y248-W255 AromaticContact CD2-CH2 3.58Å; Y248-W255 HydrophobicContact CD2-CH2 3.58Å; Y248-W255 HydrophobicContact CD2-CZ2 4.49Å; Y248-W255 HydrophobicContact CD2-CZ3 4.35Å; Y248-W255 HydrophobicContact CE2-CH2 4.15Å; Y248-W255 AromaticContact CG-CH2 3.45Å; Y248-W255 HydrophobicContact CG-CH2 3.45Å; Y248-W255 VanDerWaalsContact CG-CH2 3.45Å; Y248-W255 HydrophobicContact CG-CZ2 4.37Å; Y248-W255 HydrophobicContact CG-CZ3 4Å; A253-W255 PolarHBondContact O-N 3.33Å; W255-K259 WeakPolarHBondContact O-CB 3.31Å; W255-K259 WeakPolarHBondContact O-CD 3.28Å; W255-K259 WeakPolarHBondContact O-CG 3.29Å; W255-K259 PolarHBondContact O-N 3.19Å; W255-K259 VanDerWaalsContact O-N 3.14Å |
| 256 | L | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.2 | -43.5 | 176.2 | 176.6 | 56.6 | 0 | 0 | 0 | 110.2 | I200 V203 C207 I235 A253 P254 V258 K259 L260 | I200-L256 HydrophobicContact CD1-CD2 4.36Å; I200-L256 HydrophobicContact CG2-CD2 3.83Å; V203-L256 HydrophobicContact CB-CD2 4.2Å; V203-L256 HydrophobicContact CG1-CD1 3.89Å; V203-L256 HydrophobicContact CG1-CD2 3.79Å; C207-L256 HydrophobicContact CB-CD1 4.19Å; I235-L256 HydrophobicContact CD1-CB 4.41Å; I235-L256 HydrophobicContact CD1-CD2 3.61Å; I235-L256 HydrophobicContact CD1-CG 3.83Å; A253-L256 HydrophobicContact CB-CB 4.29Å; A253-L256 PolarHBondContact O-N 2.83Å; P254-L256 VanDerWaalsContact C-N 3.31Å; P254-L256 PolarHBondContact O-N 3.2Å; L256-V258 VanDerWaalsContact C-N 3.34Å; L256-V258 PolarHBondContact O-N 2.79Å; L256-K259 PolarHBondContact O-N 2.83Å; L256-K259 VanDerWaalsContact O-N 3.13Å; L256-L260 HydrophobicContact CD1-CD1 3.96Å; L256-L260 HydrophobicContact CD1-CD2 4.24Å; L256-L260 HydrophobicContact CD1-CG 3.79Å; L256-L260 HydrophobicContact CD2-CD1 4.49Å; L256-L260 HydrophobicContact CG-CD1 3.81Å; L256-L260 HydrophobicContact CG-CG 4.16Å; L256-L260 VanDerWaalsContact O-CG 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.12Å; L256-L260 PolarHBondContact O-N 3.19Å |
| 257 | S | 98.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.2 | -48.7 | 175.5 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | I235 A253 P254 K259 L260 L261 | I235-S257 VanDerWaalsContact CG2-OG 3.28Å; I235-S257 WeakPolarHBondContact CG2-OG 3.45Å; A253-S257 PolarHBondContact O-N 2.94Å; A253-S257 PolarHBondContact O-OG 2.84Å; P254-S257 PolarHBondContact O-N 3.49Å; S257-K259 VanDerWaalsContact C-N 3.34Å; S257-K259 PolarHBondContact O-N 3.25Å; S257-L260 PolarHBondContact O-N 3.28Å; S257-L261 WeakPolarHBondContact O-CB 3.28Å; S257-L261 WeakPolarHBondContact O-CD1 3.36Å; S257-L261 VanDerWaalsContact O-CG 3.26Å; S257-L261 WeakPolarHBondContact O-CG 3.45Å; S257-L261 PolarHBondContact O-N 2.63Å |
| 258 | V | 98.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 40.7 Ų | 40.7 | 23% | 0.23 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | P254 L256 L260 L261 R262 A307 V308 E311 | P254-V258 WeakPolarHBondContact O-CG2 3.38Å; P254-V258 PolarHBondContact O-N 2.78Å; L256-V258 VanDerWaalsContact C-N 3.34Å; L256-V258 PolarHBondContact O-N 2.79Å; V258-L260 PolarHBondContact O-N 2.7Å; V258-L261 PolarHBondContact O-N 2.6Å; V258-R262 WeakPolarHBondContact O-CB 3.41Å; V258-R262 PolarHBondContact O-N 3.12Å; V258-A307 HydrophobicContact CG2-CB 4.39Å; V258-V308 HydrophobicContact CG2-CG2 4.11Å; V258-E311 HydrophobicContact CB-CG 4.46Å; V258-E311 HydrophobicContact CG1-CB 4.35Å; V258-E311 HydrophobicContact CG1-CG 4Å; V258-E311 HydrophobicContact CG2-CB 4.39Å |
| 259 | K | 98.7 | Very high | 97.3 | Very high | 74 Ų | 74 | 38.8 Ų | 38.8 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65 | -39.9 | 178.8 | -73.4 | 168.9 | -177.4 | -63.4 | 0 | 112.9 | T204 S208 W255 L256 S257 R262 L263 | T204-K259 HydrophobicContact CG2-CD 3.85Å; S208-K259 WeakPolarHBondContact OG-CD 3.24Å; S208-K259 WeakPolarHBondContact OG-CE 3.25Å; S208-K259 PolarHBondContact OG-NZ 2.77Å; W255-K259 WeakPolarHBondContact O-CB 3.31Å; W255-K259 WeakPolarHBondContact O-CD 3.28Å; W255-K259 WeakPolarHBondContact O-CG 3.29Å; W255-K259 PolarHBondContact O-N 3.19Å; W255-K259 VanDerWaalsContact O-N 3.14Å; L256-K259 PolarHBondContact O-N 2.83Å; L256-K259 VanDerWaalsContact O-N 3.13Å; S257-K259 VanDerWaalsContact C-N 3.34Å; S257-K259 PolarHBondContact O-N 3.25Å; K259-R262 PolarHBondContact O-N 2.85Å; K259-L263 WeakPolarHBondContact O-CB 3.3Å; K259-L263 PolarHBondContact O-N 2.83Å |
| 260 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 176.9 | -69.5 | 169.8 | 0 | 0 | 0 | 110.7 | L195 A228 R231 L232 I235 L256 S257 V258 R262 L263 L264 | L195-L260 HydrophobicContact CD2-CD2 4.38Å; A228-L260 HydrophobicContact CB-CD2 3.79Å; R231-L260 HydrophobicContact CB-CD1 4.02Å; L232-L260 HydrophobicContact CB-CD1 4.17Å; I235-L260 HydrophobicContact CD1-CD1 3.94Å; L256-L260 HydrophobicContact CD1-CD1 3.96Å; L256-L260 HydrophobicContact CD1-CD2 4.24Å; L256-L260 HydrophobicContact CD1-CG 3.79Å; L256-L260 HydrophobicContact CD2-CD1 4.49Å; L256-L260 HydrophobicContact CG-CD1 3.81Å; L256-L260 HydrophobicContact CG-CG 4.16Å; L256-L260 VanDerWaalsContact O-CG 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.12Å; L256-L260 PolarHBondContact O-N 3.19Å; S257-L260 PolarHBondContact O-N 3.28Å; V258-L260 PolarHBondContact O-N 2.7Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 3.21Å; L260-L263 PolarHBondContact O-N 3.3Å; L260-L264 VanDerWaalsContact O-CG 3.29Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 3.3Å |
| 261 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 176.6 | -69.9 | 164.1 | 0 | 0 | 0 | 111.8 | L232 S257 V258 L264 Q265 L283 I286 V308 E311 A312 L315 | L232-L261 HydrophobicContact CD1-CG 4.29Å; L232-L261 HydrophobicContact CD2-CD2 3.61Å; L232-L261 HydrophobicContact CD2-CG 4.16Å; S257-L261 WeakPolarHBondContact O-CB 3.28Å; S257-L261 WeakPolarHBondContact O-CD1 3.36Å; S257-L261 VanDerWaalsContact O-CG 3.26Å; S257-L261 WeakPolarHBondContact O-CG 3.45Å; S257-L261 PolarHBondContact O-N 2.63Å; V258-L261 PolarHBondContact O-N 2.6Å; L261-L264 PolarHBondContact O-N 3.33Å; L261-Q265 PolarHBondContact O-N 3.02Å; L261-Q265 PolarHBondContact O-NE2 2.98Å; L261-L283 HydrophobicContact CD2-CD2 4.09Å; L261-I286 HydrophobicContact CD1-CD1 4.22Å; L261-I286 HydrophobicContact CD2-CD1 4.46Å; L261-V308 HydrophobicContact CD1-CG1 4.18Å; L261-E311 HydrophobicContact CB-CB 4.3Å; L261-E311 HydrophobicContact CB-CG 3.5Å; L261-E311 VanDerWaalsContact CB-CG 3.5Å; L261-E311 HydrophobicContact CD1-CB 4.06Å; L261-E311 HydrophobicContact CD1-CG 4.15Å; L261-E311 HydrophobicContact CG-CG 4.48Å; L261-A312 HydrophobicContact CD1-CB 4.04Å; L261-A312 HydrophobicContact CD2-CB 4.29Å; L261-L315 HydrophobicContact CD2-CD2 3.78Å |
| 262 | R | 98.4 | Very high | 97.1 | Very high | 106 Ų | 106 | 42.4 Ų | 42.4 | 40% | 0.4 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.2 | -175.3 | 63.5 | 61.8 | 146.8 | 0.1 | 112.4 | V258 K259 L260 L264 Q265 E311 | V258-R262 WeakPolarHBondContact O-CB 3.41Å; V258-R262 PolarHBondContact O-N 3.12Å; K259-R262 PolarHBondContact O-N 2.85Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 3.21Å; R262-L264 VanDerWaalsContact C-N 3.25Å; R262-L264 PolarHBondContact O-N 2.85Å; R262-Q265 WeakPolarHBondContact O-CB 3Å; R262-Q265 PolarHBondContact O-N 2.97Å; R262-Q265 VanDerWaalsContact O-N 3.17Å; R262-E311 WeakPolarHBondContact CA-OE1 3.4Å; R262-E311 IonicContact CZ-OE1 2.63Å; R262-E311 VanDerWaalsContact CZ-OE1 3.25Å; R262-E311 IonicContact CZ-OE2 2.55Å; R262-E311 IonicContact NE-OE1 2.82Å; R262-E311 PolarHBondContact NE-OE1 3.18Å; R262-E311 IonicContact NE-OE2 3.96Å; R262-E311 PolarHBondContact NE-OE2 3.33Å; R262-E311 IonicContact NH2-OE1 2.72Å; R262-E311 PolarHBondContact NH2-OE1 3.29Å; R262-E311 IonicContact NH2-OE2 3.91Å; R262-E311 PolarHBondContact NH2-OE2 2.81Å |
| 263 | L | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -39.4 | 175.9 | 167.9 | 62 | 0 | 0 | 0 | 111.4 | I210 S214 A228 K259 L260 Q265 N266 | I210-L263 HydrophobicContact CG2-CD1 3.82Å; I210-L263 HydrophobicContact CG2-CD2 3.89Å; S214-L263 WeakPolarHBondContact OG-CD1 3.47Å; A228-L263 HydrophobicContact CB-CD2 4.13Å; K259-L263 WeakPolarHBondContact O-CB 3.3Å; K259-L263 PolarHBondContact O-N 2.83Å; L260-L263 PolarHBondContact O-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.07Å; L263-N266 WeakPolarHBondContact O-CB 3.49Å; L263-N266 PolarHBondContact O-N 2.75Å; L263-N266 VanDerWaalsContact O-N 3.09Å |
| 264 | L | 98.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -26.9 | 179.6 | -67.8 | 171.2 | 0 | 0 | 0 | 112.9 | V225 A228 I229 L232 L260 L261 R262 N266 Y267 L279 L315 | V225-L264 HydrophobicContact CG1-CD2 4.01Å; A228-L264 HydrophobicContact CB-CD2 4.1Å; I229-L264 HydrophobicContact CD1-CD2 4.17Å; I229-L264 HydrophobicContact CG1-CD1 3.96Å; I229-L264 HydrophobicContact CG1-CD2 3.83Å; L232-L264 HydrophobicContact CD2-CD1 4.4Å; L260-L264 VanDerWaalsContact O-CG 3.29Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 3.3Å; L261-L264 PolarHBondContact O-N 3.33Å; R262-L264 VanDerWaalsContact C-N 3.25Å; R262-L264 PolarHBondContact O-N 2.85Å; L264-N266 PolarHBondContact O-N 3.32Å; L264-Y267 PolarHBondContact O-N 3.48Å; L264-L279 HydrophobicContact CD1-CD1 3.91Å; L264-L315 HydrophobicContact CB-CD1 3.94Å; L264-L315 HydrophobicContact CB-CD2 3.81Å; L264-L315 HydrophobicContact CD1-CD2 3.83Å; L264-L315 HydrophobicContact CG-CD2 4.49Å |
| 265 | Q | 98 | Very high | 97 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 16% | 0.164 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.7 | 174.1 | -66.2 | 163.9 | 38.8 | 0 | 0 | 113.1 | L261 R262 L263 Y267 E311 L315 H318 | L261-Q265 PolarHBondContact O-N 3.02Å; L261-Q265 PolarHBondContact O-NE2 2.98Å; R262-Q265 WeakPolarHBondContact O-CB 3Å; R262-Q265 PolarHBondContact O-N 2.97Å; R262-Q265 VanDerWaalsContact O-N 3.17Å; L263-Q265 PolarHBondContact O-N 3.07Å; Q265-Y267 PolarHBondContact O-N 2.89Å; Q265-E311 PolarHBondContact NE2-OE1 2.93Å; Q265-L315 HydrophobicContact CG-CB 4.19Å; Q265-L315 HydrophobicContact CG-CD1 3.78Å; Q265-H318 HydrophobicContact CG-CB 4.27Å; Q265-H318 PolarHBondContact O-CE1 2.92Å; Q265-H318 PolarHBondContact O-NE2 3.32Å |
| 266 | N | 97.7 | Very high | 97 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -3.7 | 174 | -59.9 | -28.2 | 0 | 0 | 0 | 112.9 | D211 S214 R215 L263 L264 | D211-N266 PolarHBondContact O-ND2 3.49Å; D211-N266 PolarHBondContact OD1-ND2 3.02Å; S214-N266 PolarHBondContact OG-ND2 2.77Å; R215-N266 HydrophobicContact CG-CB 4.4Å; R215-N266 PolarHBondContact NE-OD1 3.45Å; L263-N266 WeakPolarHBondContact O-CB 3.49Å; L263-N266 PolarHBondContact O-N 2.75Å; L263-N266 VanDerWaalsContact O-N 3.09Å; L264-N266 PolarHBondContact O-N 3.32Å |
| 267 | Y | 97.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -131.2 | 155.8 | -176.8 | -67.9 | -82.3 | 0 | 0 | 0 | 111.8 | S214 P218 F221 K222 V225 L264 Q265 H318 | S214-Y267 VanDerWaalsContact CB-OH 3.27Å; S214-Y267 WeakPolarHBondContact CB-OH 3.27Å; P218-Y267 HydrophobicContact CB-CE1 4.41Å; P218-Y267 WeakPolarHBondContact O-CE1 3.44Å; P218-Y267 PolarHBondContact O-OH 3.26Å; P218-Y267 VanDerWaalsContact O-OH 3.08Å; F221-Y267 WeakPolarHBondContact CB-OH 3.36Å; F221-Y267 PolarHBondContact O-OH 3.22Å; K222-Y267 HydrophobicContact CB-CE1 4.21Å; K222-Y267 HydrophobicContact CG-CE1 4.42Å; K222-Y267 PolarHBondContact N-OH 3.22Å; V225-Y267 HydrophobicContact CG2-CD1 4.26Å; V225-Y267 HydrophobicContact CG2-CD2 3.53Å; V225-Y267 HydrophobicContact CG2-CE2 3.97Å; V225-Y267 HydrophobicContact CG2-CG 3.69Å; L264-Y267 PolarHBondContact O-N 3.48Å; Q265-Y267 PolarHBondContact O-N 2.89Å; Y267-H318 PolarHBondContact O-NE2 3.24Å |
| 268 | P | 95 | Very high | 96.9 | Very high | 93 Ų | 93 | 52.9 Ų | 52.9 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 168.1 | 166.7 | 30.4 | -35.8 | 0 | 0 | 0 | 111.1 | ||
| 269 | P | 93.4 | Very high | 96.8 | Very high | 40 Ų | 40 | 51.2 Ų | 51.2 | 26% | 0.26 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -50.1 | 141.1 | 175.2 | -27.5 | 34.4 | 0 | 0 | 0 | 112.8 | E271 M319 N321 | P269-E271 PolarHBondContact O-N 3.4Å; P269-M319 HydrophobicContact CG-CB 3.96Å; P269-M319 HydrophobicContact CG-CG 4.06Å; P269-N321 VanDerWaalsContact CB-ND2 3.28Å; P269-N321 WeakPolarHBondContact CB-ND2 3.38Å; P269-N321 VanDerWaalsContact CG-ND2 3.32Å; P269-N321 WeakPolarHBondContact CG-ND2 3.35Å |
| 270 | P | 94.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 131.7 | -178.4 | -22.9 | 32.1 | 0 | 0 | 0 | 112.8 | V225 I229 V275 R276 L279 | V225-P270 HydrophobicContact CG1-CG 4.16Å; I229-P270 HydrophobicContact CD1-CG 3.85Å; P270-V275 HydrophobicContact CB-CB 4.27Å; P270-V275 HydrophobicContact CB-CG1 3.85Å; P270-V275 HydrophobicContact CG-CG1 4.14Å; P270-R276 HydrophobicContact CB-CB 4.31Å; P270-L279 HydrophobicContact CG-CD2 4.16Å |
| 271 | E | 91.5 | Very high | 96.7 | Very high | 152 Ų | 152 | 54.5 Ų | 54.5 | 71% | 0.71 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -68.3 | -38.4 | 177.4 | -66.1 | 164.6 | -142.3 | 0 | 0 | 112.1 | K222 P269 P273 | K222-E271 IonicContact NZ-OE1 3.96Å; K222-E271 PolarHBondContact NZ-OE1 3.47Å; K222-E271 IonicContact NZ-OE2 2.8Å; P269-E271 PolarHBondContact O-N 3.4Å; E271-P273 WeakPolarHBondContact O-CD 3.43Å |
| 272 | D | 95.7 | Very high | 96.7 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -69.1 | 118.9 | 179.4 | 178.5 | -13.4 | 0 | 0 | 0 | 110.8 | A274 V275 R276 | D272-A274 VanDerWaalsContact C-N 3.28Å; D272-A274 PolarHBondContact O-N 3.23Å; D272-A274 WeakPolarHBondContact OD1-CB 3.36Å; D272-A274 PolarHBondContact OD1-N 2.95Å; D272-V275 HydrophobicContact CB-CB 4.04Å; D272-V275 HydrophobicContact CB-CG2 3.93Å; D272-V275 PolarHBondContact O-N 3.07Å; D272-V275 WeakPolarHBondContact OD2-CG2 3.41Å; D272-R276 WeakPolarHBondContact O-CB 3.22Å; D272-R276 PolarHBondContact O-N 3.33Å |
| 273 | P | 95.7 | Very high | 96.7 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 53% | 0.532 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.8 | -36.7 | 179.9 | -25.7 | 34.7 | 0 | 0 | 0 | 114.3 | E271 A277 | E271-P273 WeakPolarHBondContact O-CD 3.43Å; P273-A277 VanDerWaalsContact O-CB 3.3Å; P273-A277 WeakPolarHBondContact O-CB 3.36Å; P273-A277 PolarHBondContact O-N 2.78Å |
| 274 | A | 96.9 | Very high | 96.7 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.1 | -37.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D272 R278 | D272-A274 VanDerWaalsContact C-N 3.28Å; D272-A274 PolarHBondContact O-N 3.23Å; D272-A274 WeakPolarHBondContact OD1-CB 3.36Å; D272-A274 PolarHBondContact OD1-N 2.95Å; A274-R278 PolarHBondContact O-N 3.11Å |
| 275 | V | 96.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 175.2 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | I229 P270 D272 R278 L279 | I229-V275 HydrophobicContact CD1-CG1 3.4Å; P270-V275 HydrophobicContact CB-CB 4.27Å; P270-V275 HydrophobicContact CB-CG1 3.85Å; P270-V275 HydrophobicContact CG-CG1 4.14Å; D272-V275 HydrophobicContact CB-CB 4.04Å; D272-V275 HydrophobicContact CB-CG2 3.93Å; D272-V275 PolarHBondContact O-N 3.07Å; D272-V275 WeakPolarHBondContact OD2-CG2 3.41Å; V275-R278 PolarHBondContact O-N 3.43Å; V275-L279 PolarHBondContact O-N 3.3Å; V275-L279 VanDerWaalsContact O-N 3.09Å |
| 276 | R | 96.5 | Very high | 96.6 | Very high | 108 Ų | 108 | 53.5 Ų | 53.5 | 41% | 0.408 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 175.7 | -178.4 | 174.6 | 56.3 | 168.5 | -4.5 | 112 | P270 D272 R278 L279 L280 | P270-R276 HydrophobicContact CB-CB 4.31Å; D272-R276 WeakPolarHBondContact O-CB 3.22Å; D272-R276 PolarHBondContact O-N 3.33Å; R276-R278 VanDerWaalsContact C-N 3.27Å; R276-R278 PolarHBondContact O-N 2.79Å; R276-L279 WeakPolarHBondContact O-CB 3.47Å; R276-L279 PolarHBondContact O-N 2.86Å; R276-L280 HydrophobicContact CG-CD1 4.31Å; R276-L280 WeakPolarHBondContact O-CG 3.23Å; R276-L280 PolarHBondContact O-N 2.87Å |
| 277 | A | 97.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P273 L279 L280 E281 | P273-A277 VanDerWaalsContact O-CB 3.3Å; P273-A277 WeakPolarHBondContact O-CB 3.36Å; P273-A277 PolarHBondContact O-N 2.78Å; A277-L279 PolarHBondContact O-N 2.99Å; A277-L280 PolarHBondContact O-N 3.16Å; A277-E281 PolarHBondContact O-N 3.04Å |
| 278 | R | 97.9 | Very high | 96.6 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 32% | 0.317 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.3 | -34.6 | 177.2 | -178.1 | 164 | 41.8 | 151.2 | -1.6 | 113.4 | I229 A274 V275 R276 C282 | I229-R278 HydrophobicContact CG2-CB 4.26Å; I229-R278 HydrophobicContact CG2-CG 3.97Å; A274-R278 PolarHBondContact O-N 3.11Å; V275-R278 PolarHBondContact O-N 3.43Å; R276-R278 VanDerWaalsContact C-N 3.27Å; R276-R278 PolarHBondContact O-N 2.79Å; R278-C282 PolarHBondContact O-N 2.97Å; R278-C282 VanDerWaalsContact O-N 3.12Å; R278-C282 PolarHBondContact O-SG 3.3Å |
| 279 | L | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 172.5 | 174.6 | 57.3 | 0 | 0 | 0 | 111 | I229 L232 L264 P270 V275 R276 A277 E281 C282 L283 L315 M319 | I229-L279 HydrophobicContact CD1-CB 4.01Å; I229-L279 HydrophobicContact CD1-CD2 4.14Å; I229-L279 HydrophobicContact CG1-CB 4.22Å; I229-L279 HydrophobicContact CG1-CD1 4.27Å; I229-L279 HydrophobicContact CG2-CB 4.13Å; L232-L279 HydrophobicContact CD2-CD1 4.47Å; L264-L279 HydrophobicContact CD1-CD1 3.91Å; P270-L279 HydrophobicContact CG-CD2 4.16Å; V275-L279 PolarHBondContact O-N 3.3Å; V275-L279 VanDerWaalsContact O-N 3.09Å; R276-L279 WeakPolarHBondContact O-CB 3.47Å; R276-L279 PolarHBondContact O-N 2.86Å; A277-L279 PolarHBondContact O-N 2.99Å; L279-E281 VanDerWaalsContact C-N 3.35Å; L279-E281 PolarHBondContact O-N 3.07Å; L279-C282 WeakPolarHBondContact O-CB 3.21Å; L279-C282 PolarHBondContact O-N 3.46Å; L279-C282 VanDerWaalsContact O-N 3.11Å; L279-L283 HydrophobicContact CD1-CD1 4.17Å; L279-L283 HydrophobicContact CD1-CG 4.19Å; L279-L283 HydrophobicContact CG-CD1 4.12Å; L279-L283 WeakPolarHBondContact O-CG 3.4Å; L279-L283 PolarHBondContact O-N 3.39Å; L279-L315 HydrophobicContact CD1-CD2 4.06Å; L279-M319 HydrophobicContact CD2-CE 4.36Å; L279-M319 HydrophobicContact CD2-SD 3.62Å; L279-M319 HydrophobicContact CG-SD 4.49Å |
| 280 | L | 97.5 | Very high | 96.5 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 177.3 | -63.1 | 173.7 | 0 | 0 | 0 | 111.1 | R276 A277 C282 L283 E284 D322 L325 | R276-L280 HydrophobicContact CG-CD1 4.31Å; R276-L280 WeakPolarHBondContact O-CG 3.23Å; R276-L280 PolarHBondContact O-N 2.87Å; A277-L280 PolarHBondContact O-N 3.16Å; L280-C282 VanDerWaalsContact C-N 3.28Å; L280-C282 PolarHBondContact O-N 3.21Å; L280-L283 PolarHBondContact O-N 3.15Å; L280-L283 VanDerWaalsContact O-N 3.09Å; L280-E284 WeakPolarHBondContact O-CG 3.41Å; L280-E284 PolarHBondContact O-N 3.46Å; L280-D322 HydrophobicContact CD2-CB 4.48Å; L280-L325 HydrophobicContact CD2-CD1 3.48Å; L280-L325 VanDerWaalsContact CD2-CD1 3.48Å |
| 281 | E | 97.7 | Very high | 96.3 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.5 | -39.2 | 174.2 | -173.6 | -175.7 | -172.4 | 0 | 0 | 112.5 | A277 L279 T285 | A277-E281 PolarHBondContact O-N 3.04Å; L279-E281 VanDerWaalsContact C-N 3.35Å; L279-E281 PolarHBondContact O-N 3.07Å; E281-T285 VanDerWaalsContact O-CB 3.31Å; E281-T285 WeakPolarHBondContact O-CB 3.28Å; E281-T285 PolarHBondContact O-N 3.46Å; E281-T285 PolarHBondContact O-OG1 3.34Å |
| 282 | C | 98.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 175.5 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | L232 S233 V236 R278 L279 L280 T285 I286 | L232-C282 HydrophobicContact CD2-CB 4.11Å; L232-C282 HydrophobicContact CG-CB 4.32Å; S233-C282 WeakPolarHBondContact CA-SG 3.37Å; S233-C282 VanDerWaalsContact CB-SG 3.56Å; V236-C282 HydrophobicContact CG2-CB 4.06Å; R278-C282 PolarHBondContact O-N 2.97Å; R278-C282 VanDerWaalsContact O-N 3.12Å; R278-C282 PolarHBondContact O-SG 3.3Å; L279-C282 WeakPolarHBondContact O-CB 3.21Å; L279-C282 PolarHBondContact O-N 3.46Å; L279-C282 VanDerWaalsContact O-N 3.11Å; L280-C282 VanDerWaalsContact C-N 3.28Å; L280-C282 PolarHBondContact O-N 3.21Å; C282-T285 PolarHBondContact O-N 3Å; C282-I286 VanDerWaalsContact O-CG1 3.32Å; C282-I286 WeakPolarHBondContact O-CG1 3.32Å; C282-I286 PolarHBondContact O-N 3.33Å |
| 283 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -43.7 | -179.2 | -66.3 | 170.6 | 0 | 0 | 0 | 111.2 | L261 L279 L280 T285 I286 L287 A312 L315 I316 M319 L325 | L261-L283 HydrophobicContact CD2-CD2 4.09Å; L279-L283 HydrophobicContact CD1-CD1 4.17Å; L279-L283 HydrophobicContact CD1-CG 4.19Å; L279-L283 HydrophobicContact CG-CD1 4.12Å; L279-L283 WeakPolarHBondContact O-CG 3.4Å; L279-L283 PolarHBondContact O-N 3.39Å; L280-L283 PolarHBondContact O-N 3.15Å; L280-L283 VanDerWaalsContact O-N 3.09Å; L283-T285 VanDerWaalsContact C-N 3.32Å; L283-T285 PolarHBondContact O-N 2.84Å; L283-I286 PolarHBondContact O-N 3.46Å; L283-L287 WeakPolarHBondContact O-CG 3.41Å; L283-L287 PolarHBondContact O-N 3.19Å; L283-A312 HydrophobicContact CD2-CB 3.84Å; L283-L315 HydrophobicContact CD2-CD2 4.36Å; L283-I316 HydrophobicContact CB-CD1 4.38Å; L283-I316 HydrophobicContact CB-CG1 4.42Å; L283-I316 HydrophobicContact CD1-CG1 3.9Å; L283-I316 HydrophobicContact CD2-CG1 4.21Å; L283-I316 HydrophobicContact CG-CG1 4.41Å; L283-M319 HydrophobicContact CD1-CE 3.38Å; L283-L325 HydrophobicContact CB-CD1 4.37Å; L283-L325 HydrophobicContact CD1-CD1 4.36Å |
| 284 | E | 97.7 | Very high | 95.9 | Very high | 87 Ų | 87 | 54 Ų | 54 | 41% | 0.407 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 172.5 | -72.8 | -174.6 | 169.6 | 0 | 0 | 111.9 | L280 I286 L287 N288 L325 | L280-E284 WeakPolarHBondContact O-CG 3.41Å; L280-E284 PolarHBondContact O-N 3.46Å; E284-I286 VanDerWaalsContact C-N 3.33Å; E284-I286 PolarHBondContact O-N 3.02Å; E284-L287 PolarHBondContact O-N 3.33Å; E284-N288 WeakPolarHBondContact O-CB 3.37Å; E284-N288 PolarHBondContact O-N 3.41Å; E284-N288 PolarHBondContact O-ND2 3Å; E284-L325 HydrophobicContact CG-CD2 3.76Å |
| 285 | T | 97.7 | Very high | 95.7 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | V236 E281 C282 L283 N288 K289 | V236-T285 HydrophobicContact CB-CG2 4.22Å; V236-T285 HydrophobicContact CG2-CG2 4.35Å; E281-T285 VanDerWaalsContact O-CB 3.31Å; E281-T285 WeakPolarHBondContact O-CB 3.28Å; E281-T285 PolarHBondContact O-N 3.46Å; E281-T285 PolarHBondContact O-OG1 3.34Å; C282-T285 PolarHBondContact O-N 3Å; L283-T285 VanDerWaalsContact C-N 3.32Å; L283-T285 PolarHBondContact O-N 2.84Å; T285-N288 PolarHBondContact O-N 3.09Å; T285-K289 HydrophobicContact CG2-CD 4.38Å; T285-K289 WeakPolarHBondContact O-CB 3.19Å; T285-K289 WeakPolarHBondContact O-CG 3.46Å; T285-K289 PolarHBondContact O-N 3.44Å |
| 286 | I | 98.1 | Very high | 95.4 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 176.2 | -68.4 | 165.8 | 0 | 0 | 0 | 110.8 | V236 L261 C282 L283 E284 N288 K289 A290 V308 L309 A312 | V236-I286 HydrophobicContact CB-CG1 4.46Å; V236-I286 HydrophobicContact CG1-CD1 3.84Å; V236-I286 HydrophobicContact CG1-CG1 3.72Å; L261-I286 HydrophobicContact CD1-CD1 4.22Å; L261-I286 HydrophobicContact CD2-CD1 4.46Å; C282-I286 VanDerWaalsContact O-CG1 3.32Å; C282-I286 WeakPolarHBondContact O-CG1 3.32Å; C282-I286 PolarHBondContact O-N 3.33Å; L283-I286 PolarHBondContact O-N 3.46Å; E284-I286 VanDerWaalsContact C-N 3.33Å; E284-I286 PolarHBondContact O-N 3.02Å; I286-N288 PolarHBondContact O-N 3.21Å; I286-K289 PolarHBondContact O-N 3.12Å; I286-A290 PolarHBondContact O-N 3.43Å; I286-V308 HydrophobicContact CD1-CG1 4.08Å; I286-V308 HydrophobicContact CG1-CG1 4.29Å; I286-V308 HydrophobicContact CG2-CG1 4.18Å; I286-L309 HydrophobicContact CG2-CD1 4.33Å; I286-A312 HydrophobicContact CB-CB 4.39Å; I286-A312 HydrophobicContact CD1-CB 3.95Å; I286-A312 HydrophobicContact CG2-CB 3.83Å |
| 287 | L | 97.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.4 | -71.2 | 171.8 | 0 | 0 | 0 | 111.7 | L283 E284 A290 L309 I313 I316 L325 R328 | L283-L287 WeakPolarHBondContact O-CG 3.41Å; L283-L287 PolarHBondContact O-N 3.19Å; E284-L287 PolarHBondContact O-N 3.33Å; L287-A290 WeakPolarHBondContact O-CB 3.28Å; L287-A290 PolarHBondContact O-N 3.48Å; L287-L309 HydrophobicContact CD2-CD1 3.79Å; L287-I313 HydrophobicContact CD2-CG1 4.48Å; L287-I316 HydrophobicContact CD1-CD1 4.04Å; L287-L325 HydrophobicContact CD1-CD2 3.84Å; L287-R328 HydrophobicContact CD1-CB 4.17Å |
| 288 | N | 96.4 | Very high | 95 | Very high | 69 Ų | 69 | 65.9 Ų | 65.9 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 177.3 | -67.2 | -21.4 | 0 | 0 | 0 | 111.3 | E284 T285 I286 A290 Q291 E292 R328 | E284-N288 WeakPolarHBondContact O-CB 3.37Å; E284-N288 PolarHBondContact O-N 3.41Å; E284-N288 PolarHBondContact O-ND2 3Å; T285-N288 PolarHBondContact O-N 3.09Å; I286-N288 PolarHBondContact O-N 3.21Å; N288-A290 PolarHBondContact O-N 2.96Å; N288-Q291 PolarHBondContact O-N 2.8Å; N288-E292 PolarHBondContact O-N 2.85Å; N288-R328 PolarHBondContact OD1-NH1 3.42Å; N288-R328 PolarHBondContact OD1-NH2 3.08Å |
| 289 | K | 94.2 | Very high | 94.7 | Very high | 62 Ų | 62 | 65.6 Ų | 65.6 | 27% | 0.27 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -27.2 | 175.2 | -77 | -177.1 | 170.4 | -169.8 | 0 | 113.3 | V236 T285 I286 Q291 E292 | V236-K289 VanDerWaalsContact O-CE 3.27Å; V236-K289 WeakPolarHBondContact O-CE 3.45Å; V236-K289 PolarHBondContact O-NZ 3.04Å; T285-K289 HydrophobicContact CG2-CD 4.38Å; T285-K289 WeakPolarHBondContact O-CB 3.19Å; T285-K289 WeakPolarHBondContact O-CG 3.46Å; T285-K289 PolarHBondContact O-N 3.44Å; I286-K289 PolarHBondContact O-N 3.12Å; K289-Q291 VanDerWaalsContact C-N 3.28Å; K289-Q291 PolarHBondContact O-N 3.17Å; K289-E292 PolarHBondContact O-N 3.48Å |
| 290 | A | 91.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 69 Ų | 69 | 12% | 0.116 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I286 L287 N288 K305 L309 | I286-A290 PolarHBondContact O-N 3.43Å; L287-A290 WeakPolarHBondContact O-CB 3.28Å; L287-A290 PolarHBondContact O-N 3.48Å; N288-A290 PolarHBondContact O-N 2.96Å; A290-K305 PolarHBondContact O-NZ 2.8Å; A290-L309 HydrophobicContact CB-CD1 3.93Å; A290-L309 HydrophobicContact CB-CD2 3.62Å; A290-L309 HydrophobicContact CB-CG 4.32Å |
| 291 | Q | 91.6 | Very high | 94.5 | Very high | 109 Ų | 109 | 67.6 Ų | 67.6 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -81.3 | -17.1 | -178.7 | -60.8 | -177.1 | -24.3 | 0 | 0 | 113.4 | N288 K289 | N288-Q291 PolarHBondContact O-N 2.8Å; K289-Q291 VanDerWaalsContact C-N 3.28Å; K289-Q291 PolarHBondContact O-N 3.17Å |
| 292 | E | 92.4 | Very high | 94.3 | Very high | 81 Ų | 81 | 64 Ų | 64 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -61.2 | 144.2 | 174 | -70.1 | 177.7 | -160.4 | 0 | 0 | 112.1 | N288 K289 K305 | N288-E292 PolarHBondContact O-N 2.85Å; K289-E292 PolarHBondContact O-N 3.48Å; E292-K305 PolarHBondContact O-NZ 2.85Å |
| 293 | P | 91.6 | Very high | 94.2 | Very high | 108 Ų | 108 | 67.8 Ų | 67.8 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 142.2 | 175 | 24.8 | -33.5 | 0 | 0 | 0 | 110.8 | K295 | P293-K295 PolarHBondContact O-N 2.92Š|
| 294 | P | 89.9 | Confident | 94.1 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 59% | 0.591 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 125.4 | -176.2 | 25.8 | -33.7 | 0 | 0 | 0 | 110.9 | S296 | P294-S296 PolarHBondContact O-N 3.43Š|
| 295 | K | 91.3 | Very high | 94 | Very high | 111 Ų | 111 | 65.9 Ų | 65.9 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -70.9 | -14.5 | 177 | -65.2 | -177 | -178.7 | 175.7 | 0 | 112.7 | F250 P293 H301 | F250-K295 HydrophobicContact CB-CB 4.12Å; F250-K295 HydrophobicContact CB-CD 4.1Å; F250-K295 HydrophobicContact CD2-CB 4.03Å; F250-K295 HydrophobicContact CG-CB 4.03Å; P293-K295 PolarHBondContact O-N 2.92Å; K295-H301 PolarHBondContact N-NE2 2.83Å; K295-H301 VanDerWaalsContact N-NE2 3.19Å |
| 296 | S | 92.4 | Very high | 94 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | trans | -143.6 | 140.5 | 173.9 | -170.1 | 0 | 0 | 0 | 0 | 111 | P294 K298 | P294-S296 PolarHBondContact O-N 3.43Å; S296-K298 PolarHBondContact O-N 2.93Å; S296-K298 PolarHBondContact OG-N 2.78Å | ||
| 297 | K | 90.3 | Very high | 94 | Very high | 219 Ų | 219 | 66.6 Ų | 66.6 | 95% | 0.952 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -75.4 | -8 | 171.4 | -62.7 | -175.7 | -180 | -178.7 | 0 | 113.2 | ||
| 298 | K | 93.3 | Very high | 94 | Very high | 129 Ų | 129 | 67 Ų | 67 | 56% | 0.561 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -73.8 | 132.5 | -179.5 | -67.2 | -173.8 | 178.9 | 179.6 | 0 | 110.2 | Y249 S296 Q300 H301 | Y249-K298 HydrophobicContact CD1-CB 4.07Å; Y249-K298 HydrophobicContact CD1-CD 4.27Å; Y249-K298 HydrophobicContact CE1-CB 3.74Å; Y249-K298 HydrophobicContact CE1-CD 3.49Å; Y249-K298 VanDerWaalsContact CE1-CD 3.49Å; Y249-K298 HydrophobicContact CE1-CG 4.25Å; S296-K298 PolarHBondContact O-N 2.93Å; S296-K298 PolarHBondContact OG-N 2.78Å; K298-Q300 PolarHBondContact O-N 3.42Å; K298-Q300 VanDerWaalsContact O-N 3.08Å; K298-H301 WeakPolarHBondContact O-CB 3.46Å; K298-H301 PolarHBondContact O-N 2.66Å |
| 299 | L | 92.6 | Very high | 94.1 | Very high | 77 Ų | 77 | 63.8 Ų | 63.8 | 40% | 0.403 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -52.9 | -33.8 | -177.8 | -179.9 | 62.3 | 0 | 0 | 0 | 113.1 | H301 S302 N303 | L299-H301 VanDerWaalsContact C-N 3.28Å; L299-H301 PolarHBondContact O-N 3.18Å; L299-S302 PolarHBondContact O-N 2.79Å; L299-S302 VanDerWaalsContact O-N 3.14Å; L299-N303 PolarHBondContact O-N 2.76Å |
| 300 | Q | 94.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 61.7 Ų | 61.7 | 35% | 0.346 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -35.1 | 179 | -65 | 79.5 | 8.6 | 0 | 0 | 113.3 | Y248 Y249 K298 A304 | Y248-Q300 HydrophobicContact CE1-CB 3.93Å; Y248-Q300 WeakPolarHBondContact OH-CG 3.38Å; Y249-Q300 HydrophobicContact CD1-CB 3.82Å; Y249-Q300 HydrophobicContact CD2-CB 3.86Å; Y249-Q300 HydrophobicContact CE1-CB 3.59Å; Y249-Q300 HydrophobicContact CE1-CG 4.15Å; Y249-Q300 HydrophobicContact CE2-CB 3.7Å; Y249-Q300 HydrophobicContact CE2-CG 4.1Å; Y249-Q300 HydrophobicContact CG-CB 3.93Å; K298-Q300 PolarHBondContact O-N 3.42Å; K298-Q300 VanDerWaalsContact O-N 3.08Å; Q300-A304 WeakPolarHBondContact O-CB 3.31Å; Q300-A304 PolarHBondContact O-N 2.83Å |
| 301 | H | 95.5 | Very high | 94.6 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -50.2 | 174.1 | 174 | 64.2 | 0 | 0 | 0 | 110.8 | Y249 K295 K298 L299 N303 A304 K305 | Y249-H301 HydrophobicContact CD1-CB 4.43Å; Y249-H301 PolarHBondContact O-ND1 3.04Å; K295-H301 PolarHBondContact N-NE2 2.83Å; K295-H301 VanDerWaalsContact N-NE2 3.19Å; K298-H301 WeakPolarHBondContact O-CB 3.46Å; K298-H301 PolarHBondContact O-N 2.66Å; L299-H301 VanDerWaalsContact C-N 3.28Å; L299-H301 PolarHBondContact O-N 3.18Å; H301-N303 VanDerWaalsContact C-N 3.35Å; H301-N303 PolarHBondContact O-N 2.9Å; H301-A304 PolarHBondContact O-N 2.93Å; H301-K305 WeakPolarHBondContact O-CB 3.48Å; H301-K305 PolarHBondContact O-N 2.77Å |
| 302 | S | 94.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 22% | 0.217 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 178.8 | -166.5 | 0 | 0 | 0 | 0 | 111.3 | L299 K305 N306 | L299-S302 PolarHBondContact O-N 2.79Å; L299-S302 VanDerWaalsContact O-N 3.14Å; S302-K305 PolarHBondContact O-N 2.76Å; S302-N306 WeakPolarHBondContact O-CB 3.49Å; S302-N306 PolarHBondContact O-N 2.82Å; S302-N306 PolarHBondContact O-ND2 2.84Å; S302-N306 PolarHBondContact OG-ND2 2.97Å |
| 303 | N | 95.8 | Very high | 95.2 | Very high | 83 Ų | 83 | 52.7 Ų | 52.7 | 44% | 0.444 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | -179.7 | -72.1 | -0.8 | 0 | 0 | 0 | 111.8 | L299 H301 A307 | L299-N303 PolarHBondContact O-N 2.76Å; H301-N303 VanDerWaalsContact C-N 3.35Å; H301-N303 PolarHBondContact O-N 2.9Å; N303-A307 VanDerWaalsContact O-CB 3.26Å; N303-A307 WeakPolarHBondContact O-CB 3.24Å; N303-A307 PolarHBondContact O-N 2.92Å |
| 304 | A | 96.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y248 V251 P254 Q300 H301 V308 | Y248-A304 HydrophobicContact CD1-CB 3.81Å; Y248-A304 HydrophobicContact CE1-CB 4.25Å; V251-A304 HydrophobicContact CB-CB 4.34Å; V251-A304 HydrophobicContact CG2-CB 4.08Å; P254-A304 HydrophobicContact CB-CB 4.37Å; P254-A304 HydrophobicContact CG-CB 4.38Å; Q300-A304 WeakPolarHBondContact O-CB 3.31Å; Q300-A304 PolarHBondContact O-N 2.83Å; H301-A304 PolarHBondContact O-N 2.93Å; A304-V308 PolarHBondContact O-N 2.84Å |
| 305 | K | 96 | Very high | 95.9 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 176.1 | -172.4 | 176.9 | 79.9 | 156.7 | 0 | 111.1 | V251 A290 E292 H301 S302 A307 V308 L309 | V251-K305 HydrophobicContact CG2-CB 4.23Å; A290-K305 PolarHBondContact O-NZ 2.8Å; E292-K305 PolarHBondContact O-NZ 2.85Å; H301-K305 WeakPolarHBondContact O-CB 3.48Å; H301-K305 PolarHBondContact O-N 2.77Å; S302-K305 PolarHBondContact O-N 2.76Å; K305-A307 PolarHBondContact O-N 3.32Å; K305-V308 PolarHBondContact O-N 2.79Å; K305-L309 PolarHBondContact O-N 3.45Å; K305-L309 VanDerWaalsContact O-N 3.14Å |
| 306 | N | 96.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.2 | -32.4 | -177.4 | -66.2 | -11 | 0 | 0 | 0 | 111.9 | S302 V308 L309 F310 L344 | S302-N306 WeakPolarHBondContact O-CB 3.49Å; S302-N306 PolarHBondContact O-N 2.82Å; S302-N306 PolarHBondContact O-ND2 2.84Å; S302-N306 PolarHBondContact OG-ND2 2.97Å; N306-V308 VanDerWaalsContact C-N 3.34Å; N306-V308 PolarHBondContact O-N 2.92Å; N306-L309 WeakPolarHBondContact O-CB 3.31Å; N306-L309 PolarHBondContact O-N 3.32Å; N306-F310 HydrophobicContact CB-CD2 4.31Å; N306-F310 HydrophobicContact CB-CE2 4.41Å; N306-F310 VanDerWaalsContact O-CD2 3.26Å; N306-F310 WeakPolarHBondContact O-CD2 3.35Å; N306-F310 PolarHBondContact O-N 2.85Å; N306-L344 HydrophobicContact CB-CD2 4.04Å; N306-L344 WeakPolarHBondContact ND2-CD1 3.38Å; N306-L344 WeakPolarHBondContact ND2-CD2 3.1Å |
| 307 | A | 97.8 | Very high | 96.3 | Very high | 49 Ų | 49 | 39.5 Ų | 39.5 | 41% | 0.405 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V258 N303 K305 E311 | V258-A307 HydrophobicContact CG2-CB 4.39Å; N303-A307 VanDerWaalsContact O-CB 3.26Å; N303-A307 WeakPolarHBondContact O-CB 3.24Å; N303-A307 PolarHBondContact O-N 2.92Å; K305-A307 PolarHBondContact O-N 3.32Å; A307-E311 WeakPolarHBondContact O-CB 3.41Å; A307-E311 PolarHBondContact O-N 3.31Å |
| 308 | V | 98.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | P254 V258 L261 I286 A304 K305 N306 A312 | P254-V308 HydrophobicContact CB-CG2 3.97Å; V258-V308 HydrophobicContact CG2-CG2 4.11Å; L261-V308 HydrophobicContact CD1-CG1 4.18Å; I286-V308 HydrophobicContact CD1-CG1 4.08Å; I286-V308 HydrophobicContact CG1-CG1 4.29Å; I286-V308 HydrophobicContact CG2-CG1 4.18Å; A304-V308 PolarHBondContact O-N 2.84Å; K305-V308 PolarHBondContact O-N 2.79Å; N306-V308 VanDerWaalsContact C-N 3.34Å; N306-V308 PolarHBondContact O-N 2.92Å; V308-A312 WeakPolarHBondContact O-CB 3.11Å; V308-A312 PolarHBondContact O-N 3.38Å |
| 309 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -50.5 | 178.6 | 174 | 64.2 | 0 | 0 | 0 | 113 | I286 L287 A290 K305 N306 E311 A312 I313 Q332 F336 | I286-L309 HydrophobicContact CG2-CD1 4.33Å; L287-L309 HydrophobicContact CD2-CD1 3.79Å; A290-L309 HydrophobicContact CB-CD1 3.93Å; A290-L309 HydrophobicContact CB-CD2 3.62Å; A290-L309 HydrophobicContact CB-CG 4.32Å; K305-L309 PolarHBondContact O-N 3.45Å; K305-L309 VanDerWaalsContact O-N 3.14Å; N306-L309 WeakPolarHBondContact O-CB 3.31Å; N306-L309 PolarHBondContact O-N 3.32Å; L309-E311 VanDerWaalsContact C-N 3.28Å; L309-E311 PolarHBondContact O-N 3.23Å; L309-A312 WeakPolarHBondContact O-CB 3.46Å; L309-A312 PolarHBondContact O-N 3.46Å; L309-A312 VanDerWaalsContact O-N 3.14Å; L309-I313 HydrophobicContact CD1-CD1 3.92Å; L309-I313 HydrophobicContact CD1-CG1 4.22Å; L309-I313 HydrophobicContact CG-CD1 3.97Å; L309-I313 WeakPolarHBondContact O-CG1 3.41Å; L309-I313 PolarHBondContact O-N 3.19Å; L309-Q332 HydrophobicContact CD1-CG 4.4Å; L309-Q332 HydrophobicContact CD2-CG 4.01Å; L309-F336 HydrophobicContact CD2-CE2 3.57Å; L309-F336 HydrophobicContact CD2-CZ 3.75Å |
| 310 | F | 98.4 | Very high | 96.7 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 8% | 0.083 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.7 | -37.6 | -179.9 | -86.4 | -76 | 0 | 0 | 0 | 111.8 | N306 I313 S314 L333 F336 L344 L347 S351 | N306-F310 HydrophobicContact CB-CD2 4.31Å; N306-F310 HydrophobicContact CB-CE2 4.41Å; N306-F310 VanDerWaalsContact O-CD2 3.26Å; N306-F310 WeakPolarHBondContact O-CD2 3.35Å; N306-F310 PolarHBondContact O-N 2.85Å; F310-I313 PolarHBondContact O-N 3.04Å; F310-S314 WeakPolarHBondContact O-CB 3.26Å; F310-S314 PolarHBondContact O-N 3.36Å; F310-S314 PolarHBondContact O-OG 2.86Å; F310-L333 HydrophobicContact CD1-CD2 4.1Å; F310-L333 HydrophobicContact CE1-CD2 3.47Å; F310-L333 VanDerWaalsContact CE1-CD2 3.47Å; F310-L333 HydrophobicContact CZ-CD2 4.13Å; F310-F336 HydrophobicContact CE2-CD2 4.07Å; F310-F336 AromaticContact CE2-CE2 3.94Å; F310-F336 HydrophobicContact CE2-CE2 3.94Å; F310-F336 AromaticContact CZ-CD2 3.73Å; F310-F336 HydrophobicContact CZ-CD2 3.73Å; F310-F336 HydrophobicContact CZ-CE2 4.05Å; F310-L344 HydrophobicContact CE2-CD2 3.75Å; F310-L344 HydrophobicContact CZ-CD2 4.48Å; F310-L347 HydrophobicContact CD1-CB 4.2Å; F310-L347 HydrophobicContact CD2-CD1 4.42Å; F310-L347 HydrophobicContact CE1-CB 3.62Å; F310-L347 HydrophobicContact CE2-CB 4.16Å; F310-L347 HydrophobicContact CE2-CD1 4.31Å; F310-L347 HydrophobicContact CZ-CB 3.61Å; F310-S351 WeakPolarHBondContact CD1-OG 3.43Å |
| 311 | E | 98.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.2 | -35.8 | 175.1 | -165.9 | 68.2 | -137 | 0 | 0 | 112.1 | V258 L261 R262 Q265 A307 L309 S314 L315 | V258-E311 HydrophobicContact CB-CG 4.46Å; V258-E311 HydrophobicContact CG1-CB 4.35Å; V258-E311 HydrophobicContact CG1-CG 4Å; V258-E311 HydrophobicContact CG2-CB 4.39Å; L261-E311 HydrophobicContact CB-CB 4.3Å; L261-E311 HydrophobicContact CB-CG 3.5Å; L261-E311 VanDerWaalsContact CB-CG 3.5Å; L261-E311 HydrophobicContact CD1-CB 4.06Å; L261-E311 HydrophobicContact CD1-CG 4.15Å; L261-E311 HydrophobicContact CG-CG 4.48Å; R262-E311 WeakPolarHBondContact CA-OE1 3.4Å; R262-E311 IonicContact CZ-OE1 2.63Å; R262-E311 VanDerWaalsContact CZ-OE1 3.25Å; R262-E311 IonicContact CZ-OE2 2.55Å; R262-E311 IonicContact NE-OE1 2.82Å; R262-E311 PolarHBondContact NE-OE1 3.18Å; R262-E311 IonicContact NE-OE2 3.96Å; R262-E311 PolarHBondContact NE-OE2 3.33Å; R262-E311 IonicContact NH2-OE1 2.72Å; R262-E311 PolarHBondContact NH2-OE1 3.29Å; R262-E311 IonicContact NH2-OE2 3.91Å; R262-E311 PolarHBondContact NH2-OE2 2.81Å; Q265-E311 PolarHBondContact NE2-OE1 2.93Å; A307-E311 WeakPolarHBondContact O-CB 3.41Å; A307-E311 PolarHBondContact O-N 3.31Å; L309-E311 VanDerWaalsContact C-N 3.28Å; L309-E311 PolarHBondContact O-N 3.23Å; E311-S314 WeakPolarHBondContact O-CB 3.48Å; E311-S314 PolarHBondContact O-N 3.24Å; E311-L315 PolarHBondContact O-N 2.68Å; E311-L315 VanDerWaalsContact O-N 3.09Å |
| 312 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.7 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L261 L283 I286 V308 L309 S314 L315 I316 | L261-A312 HydrophobicContact CD1-CB 4.04Å; L261-A312 HydrophobicContact CD2-CB 4.29Å; L283-A312 HydrophobicContact CD2-CB 3.84Å; I286-A312 HydrophobicContact CB-CB 4.39Å; I286-A312 HydrophobicContact CD1-CB 3.95Å; I286-A312 HydrophobicContact CG2-CB 3.83Å; V308-A312 WeakPolarHBondContact O-CB 3.11Å; V308-A312 PolarHBondContact O-N 3.38Å; L309-A312 WeakPolarHBondContact O-CB 3.46Å; L309-A312 PolarHBondContact O-N 3.46Å; L309-A312 VanDerWaalsContact O-N 3.14Å; A312-S314 VanDerWaalsContact C-N 3.31Å; A312-S314 PolarHBondContact O-N 3.06Å; A312-L315 PolarHBondContact O-N 3Å; A312-I316 WeakPolarHBondContact O-CG1 3.14Å; A312-I316 PolarHBondContact O-N 3.03Å |
| 313 | I | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 173.5 | -70.7 | 172.1 | 0 | 0 | 0 | 110.6 | L287 L309 F310 L315 I316 I317 A329 L333 | L287-I313 HydrophobicContact CD2-CG1 4.48Å; L309-I313 HydrophobicContact CD1-CD1 3.92Å; L309-I313 HydrophobicContact CD1-CG1 4.22Å; L309-I313 HydrophobicContact CG-CD1 3.97Å; L309-I313 WeakPolarHBondContact O-CG1 3.41Å; L309-I313 PolarHBondContact O-N 3.19Å; F310-I313 PolarHBondContact O-N 3.04Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 2.99Å; I313-I316 WeakPolarHBondContact O-CB 3.44Å; I313-I316 PolarHBondContact O-N 3.26Å; I313-I316 VanDerWaalsContact O-N 3.13Å; I313-I317 HydrophobicContact CG2-CD1 3.74Å; I313-I317 HydrophobicContact CG2-CG1 4.35Å; I313-I317 VanDerWaalsContact O-CG1 3.25Å; I313-I317 WeakPolarHBondContact O-CG1 3.49Å; I313-I317 PolarHBondContact O-N 2.99Å; I313-A329 HydrophobicContact CG1-CB 4.03Å; I313-A329 HydrophobicContact CG2-CB 4.2Å; I313-L333 HydrophobicContact CD1-CD2 3.76Å; I313-L333 HydrophobicContact CD1-CG 4.01Å; I313-L333 HydrophobicContact CG2-CD1 4.09Å |
| 314 | S | 97.7 | Very high | 96.4 | Very high | 30 Ų | 30 | 28.9 Ų | 28.9 | 21% | 0.21 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.7 | -41.2 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | F310 E311 A312 I317 H318 | F310-S314 WeakPolarHBondContact O-CB 3.26Å; F310-S314 PolarHBondContact O-N 3.36Å; F310-S314 PolarHBondContact O-OG 2.86Å; E311-S314 WeakPolarHBondContact O-CB 3.48Å; E311-S314 PolarHBondContact O-N 3.24Å; A312-S314 VanDerWaalsContact C-N 3.31Å; A312-S314 PolarHBondContact O-N 3.06Å; S314-I317 PolarHBondContact O-N 2.95Å; S314-H318 WeakPolarHBondContact O-CB 3.05Å; S314-H318 PolarHBondContact O-N 3.47Å |
| 315 | L | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.7 | -38.4 | 174.4 | -179.3 | 60.2 | 0 | 0 | 0 | 112.9 | L261 L264 Q265 L279 L283 E311 A312 I313 I317 H318 M319 | L261-L315 HydrophobicContact CD2-CD2 3.78Å; L264-L315 HydrophobicContact CB-CD1 3.94Å; L264-L315 HydrophobicContact CB-CD2 3.81Å; L264-L315 HydrophobicContact CD1-CD2 3.83Å; L264-L315 HydrophobicContact CG-CD2 4.49Å; Q265-L315 HydrophobicContact CG-CB 4.19Å; Q265-L315 HydrophobicContact CG-CD1 3.78Å; L279-L315 HydrophobicContact CD1-CD2 4.06Å; L283-L315 HydrophobicContact CD2-CD2 4.36Å; E311-L315 PolarHBondContact O-N 2.68Å; E311-L315 VanDerWaalsContact O-N 3.09Å; A312-L315 PolarHBondContact O-N 3Å; I313-L315 VanDerWaalsContact C-N 3.28Å; I313-L315 PolarHBondContact O-N 2.99Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 3.35Å; L315-H318 PolarHBondContact O-N 3.41Å; L315-M319 HydrophobicContact CD1-CG 4.16Å; L315-M319 HydrophobicContact CG-CE 4.48Å; L315-M319 WeakPolarHBondContact O-CG 3.4Å; L315-M319 PolarHBondContact O-N 2.97Å |
| 316 | I | 97.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 174.6 | -69.7 | 164.7 | 0 | 0 | 0 | 110.2 | L283 L287 A312 I313 M319 D320 L325 L326 A329 | L283-I316 HydrophobicContact CB-CD1 4.38Å; L283-I316 HydrophobicContact CB-CG1 4.42Å; L283-I316 HydrophobicContact CD1-CG1 3.9Å; L283-I316 HydrophobicContact CD2-CG1 4.21Å; L283-I316 HydrophobicContact CG-CG1 4.41Å; L287-I316 HydrophobicContact CD1-CD1 4.04Å; A312-I316 WeakPolarHBondContact O-CG1 3.14Å; A312-I316 PolarHBondContact O-N 3.03Å; I313-I316 WeakPolarHBondContact O-CB 3.44Å; I313-I316 PolarHBondContact O-N 3.26Å; I313-I316 VanDerWaalsContact O-N 3.13Å; I316-M319 PolarHBondContact O-N 3.04Å; I316-D320 PolarHBondContact O-N 3.24Å; I316-L325 HydrophobicContact CD1-CB 4.47Å; I316-L325 HydrophobicContact CG2-CB 3.93Å; I316-L326 HydrophobicContact CG2-CD2 3.87Å; I316-L326 HydrophobicContact CG2-CG 4.13Å; I316-A329 HydrophobicContact CD1-CB 4.42Å; I316-A329 HydrophobicContact CG2-CB 4.44Å |
| 317 | I | 95.5 | Very high | 96.4 | Very high | 22 Ų | 22 | 28.9 Ų | 28.9 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -45 | 177.8 | -63.1 | 162.5 | 0 | 0 | 0 | 110.6 | I313 S314 L315 M319 D320 L354 L355 | I313-I317 HydrophobicContact CG2-CD1 3.74Å; I313-I317 HydrophobicContact CG2-CG1 4.35Å; I313-I317 VanDerWaalsContact O-CG1 3.25Å; I313-I317 WeakPolarHBondContact O-CG1 3.49Å; I313-I317 PolarHBondContact O-N 2.99Å; S314-I317 PolarHBondContact O-N 2.95Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 3.35Å; I317-M319 VanDerWaalsContact C-N 3.3Å; I317-M319 PolarHBondContact O-N 2.89Å; I317-D320 WeakPolarHBondContact O-CB 3.14Å; I317-D320 PolarHBondContact O-N 3.02Å; I317-L354 HydrophobicContact CD1-CB 4.18Å; I317-L354 HydrophobicContact CG2-CB 3.96Å; I317-L355 HydrophobicContact CD1-CD1 4.48Å; I317-L355 HydrophobicContact CD1-CD2 4.16Å; I317-L355 HydrophobicContact CD1-CG 3.76Å; I317-L355 HydrophobicContact CG1-CD2 3.57Å; I317-L355 HydrophobicContact CG1-CG 3.75Å |
| 318 | H | 95.5 | Very high | 96.3 | Very high | 87 Ų | 87 | 30.6 Ų | 30.6 | 40% | 0.403 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.4 | -36.6 | 178.3 | 174.7 | 80.4 | 0 | 0 | 0 | 113.5 | Q265 Y267 S314 L315 | Q265-H318 HydrophobicContact CG-CB 4.27Å; Q265-H318 PolarHBondContact O-CE1 2.92Å; Q265-H318 PolarHBondContact O-NE2 3.32Å; Y267-H318 PolarHBondContact O-NE2 3.24Å; S314-H318 WeakPolarHBondContact O-CB 3.05Å; S314-H318 PolarHBondContact O-N 3.47Å; L315-H318 PolarHBondContact O-N 3.41Å |
| 319 | M | 94.7 | Very high | 96.2 | Very high | 15 Ų | 15 | 30 Ų | 30 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -76.3 | -29 | 179.9 | -70.8 | -169.6 | -54.6 | 0 | 0 | 113.7 | P269 L279 L283 L315 I316 I317 N321 | P269-M319 HydrophobicContact CG-CB 3.96Å; P269-M319 HydrophobicContact CG-CG 4.06Å; L279-M319 HydrophobicContact CD2-CE 4.36Å; L279-M319 HydrophobicContact CD2-SD 3.62Å; L279-M319 HydrophobicContact CG-SD 4.49Å; L283-M319 HydrophobicContact CD1-CE 3.38Å; L315-M319 HydrophobicContact CD1-CG 4.16Å; L315-M319 HydrophobicContact CG-CE 4.48Å; L315-M319 WeakPolarHBondContact O-CG 3.4Å; L315-M319 PolarHBondContact O-N 2.97Å; I316-M319 PolarHBondContact O-N 3.04Å; I317-M319 VanDerWaalsContact C-N 3.3Å; I317-M319 PolarHBondContact O-N 2.89Å; M319-N321 WeakPolarHBondContact O-CB 3.42Å; M319-N321 PolarHBondContact O-N 3.32Å |
| 320 | D | 93.7 | Very high | 96.2 | Very high | 62 Ų | 62 | 30 Ų | 30 | 33% | 0.332 | 17% | 0.166 | S | C | . | . | trans | 37.6 | 40.8 | 176.8 | -158.4 | 29 | 0 | 0 | 0 | 116.2 | I316 I317 L326 S358 Y360 | I316-D320 PolarHBondContact O-N 3.24Å; I317-D320 WeakPolarHBondContact O-CB 3.14Å; I317-D320 PolarHBondContact O-N 3.02Å; D320-L326 VanDerWaalsContact OD1-CD1 3.26Å; D320-L326 WeakPolarHBondContact OD1-CD1 3.42Å; D320-S358 VanDerWaalsContact OD1-CB 3.24Å; D320-S358 WeakPolarHBondContact OD1-CB 3.43Å; D320-S358 PolarHBondContact OD1-OG 3.43Å; D320-Y360 WeakPolarHBondContact O-CE2 3.47Å | ||
| 321 | N | 90.1 | Very high | 96 | Very high | 68 Ų | 68 | 32.7 Ų | 32.7 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | trans | -132.2 | 0.7 | -173.2 | 67.6 | 1.4 | 0 | 0 | 0 | 114.8 | P269 M319 | P269-N321 VanDerWaalsContact CB-ND2 3.28Å; P269-N321 WeakPolarHBondContact CB-ND2 3.38Å; P269-N321 VanDerWaalsContact CG-ND2 3.32Å; P269-N321 WeakPolarHBondContact CG-ND2 3.35Å; M319-N321 WeakPolarHBondContact O-CB 3.42Å; M319-N321 PolarHBondContact O-N 3.32Å | ||
| 322 | D | 93.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | trans | -128 | 95.8 | 178 | -169 | -46.7 | 0 | 0 | 0 | 110 | L280 A324 L325 L326 | L280-D322 HydrophobicContact CD2-CB 4.48Å; D322-A324 PolarHBondContact O-N 3.43Å; D322-A324 WeakPolarHBondContact OD1-CB 3.29Å; D322-A324 PolarHBondContact OD1-N 2.85Å; D322-L325 HydrophobicContact CB-CB 4.12Å; D322-L325 HydrophobicContact CB-CD1 4.18Å; D322-L325 HydrophobicContact CB-CG 4.28Å; D322-L325 PolarHBondContact O-N 3.41Å; D322-L325 PolarHBondContact OD1-N 3.47Å; D322-L326 WeakPolarHBondContact O-CG 3.45Å; D322-L326 PolarHBondContact O-N 3.02Å | ||
| 323 | P | 95 | Very high | 95.9 | Very high | 60 Ų | 60 | 32.4 Ų | 32.4 | 39% | 0.39 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58 | -33.1 | -179.5 | -27.1 | 35.6 | 0 | 0 | 0 | 113.6 | L326 V327 Y360 | P323-L326 PolarHBondContact O-N 3.28Å; P323-V327 WeakPolarHBondContact O-CB 3.46Å; P323-V327 VanDerWaalsContact O-CG2 3.27Å; P323-V327 WeakPolarHBondContact O-CG2 3.39Å; P323-V327 PolarHBondContact O-N 3.05Å; P323-Y360 HydrophobicContact CB-CD1 4.45Å; P323-Y360 HydrophobicContact CB-CG 4.41Å; P323-Y360 HydrophobicContact CG-CD1 3.81Å; P323-Y360 HydrophobicContact CG-CE1 4.32Å; P323-Y360 HydrophobicContact CG-CG 3.96Å |
| 324 | A | 95.5 | Very high | 95.8 | Very high | 68 Ų | 68 | 32.7 Ų | 32.7 | 56% | 0.562 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -69.4 | -43.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D322 R328 | D322-A324 PolarHBondContact O-N 3.43Å; D322-A324 WeakPolarHBondContact OD1-CB 3.29Å; D322-A324 PolarHBondContact OD1-N 2.85Å; A324-R328 WeakPolarHBondContact O-CG 3.42Å; A324-R328 PolarHBondContact O-N 3.44Å |
| 325 | L | 96.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 174.5 | -74.7 | -177.2 | 0 | 0 | 0 | 112.4 | L280 L283 E284 L287 I316 D322 V327 R328 A329 | L280-L325 HydrophobicContact CD2-CD1 3.48Å; L280-L325 VanDerWaalsContact CD2-CD1 3.48Å; L283-L325 HydrophobicContact CB-CD1 4.37Å; L283-L325 HydrophobicContact CD1-CD1 4.36Å; E284-L325 HydrophobicContact CG-CD2 3.76Å; L287-L325 HydrophobicContact CD1-CD2 3.84Å; I316-L325 HydrophobicContact CD1-CB 4.47Å; I316-L325 HydrophobicContact CG2-CB 3.93Å; D322-L325 HydrophobicContact CB-CB 4.12Å; D322-L325 HydrophobicContact CB-CD1 4.18Å; D322-L325 HydrophobicContact CB-CG 4.28Å; D322-L325 PolarHBondContact O-N 3.41Å; D322-L325 PolarHBondContact OD1-N 3.47Å; L325-V327 PolarHBondContact O-N 3.39Å; L325-R328 PolarHBondContact O-N 3.49Å; L325-A329 WeakPolarHBondContact O-CB 3.27Å; L325-A329 PolarHBondContact O-N 3.37Å |
| 326 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 177 | -73.1 | 164.4 | 0 | 0 | 0 | 111.6 | I316 D320 D322 P323 A329 C330 L355 Y360 | I316-L326 HydrophobicContact CG2-CD2 3.87Å; I316-L326 HydrophobicContact CG2-CG 4.13Å; D320-L326 VanDerWaalsContact OD1-CD1 3.26Å; D320-L326 WeakPolarHBondContact OD1-CD1 3.42Å; D322-L326 WeakPolarHBondContact O-CG 3.45Å; D322-L326 PolarHBondContact O-N 3.02Å; P323-L326 PolarHBondContact O-N 3.28Å; L326-A329 PolarHBondContact O-N 3.31Å; L326-C330 WeakPolarHBondContact O-CB 3.44Å; L326-C330 PolarHBondContact O-N 2.85Å; L326-L355 HydrophobicContact CD2-CD2 3.65Å; L326-Y360 HydrophobicContact CD1-CD2 4.02Å; L326-Y360 HydrophobicContact CD1-CG 4.36Å |
| 327 | V | 96.1 | Very high | 95.6 | Very high | 51 Ų | 51 | 37.1 Ų | 37.1 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65 | -41.1 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | P323 L325 C330 N331 A364 | P323-V327 WeakPolarHBondContact O-CB 3.46Å; P323-V327 VanDerWaalsContact O-CG2 3.27Å; P323-V327 WeakPolarHBondContact O-CG2 3.39Å; P323-V327 PolarHBondContact O-N 3.05Å; L325-V327 PolarHBondContact O-N 3.39Å; V327-C330 PolarHBondContact O-N 3.23Å; V327-N331 VanDerWaalsContact O-CG 3.23Å; V327-N331 PolarHBondContact O-N 3.03Å; V327-N331 PolarHBondContact O-ND2 3.35Å; V327-A364 HydrophobicContact CG1-CB 4.48Å; V327-A364 HydrophobicContact CG2-CB 4.21Å |
| 328 | R | 95.6 | Very high | 95.6 | Very high | 86 Ų | 86 | 40.8 Ų | 40.8 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 175.3 | -73.6 | -167.1 | 83.6 | -166.5 | 1.1 | 112.1 | L287 N288 A324 L325 N331 Q332 | L287-R328 HydrophobicContact CD1-CB 4.17Å; N288-R328 PolarHBondContact OD1-NH1 3.42Å; N288-R328 PolarHBondContact OD1-NH2 3.08Å; A324-R328 WeakPolarHBondContact O-CG 3.42Å; A324-R328 PolarHBondContact O-N 3.44Å; L325-R328 PolarHBondContact O-N 3.49Å; R328-N331 PolarHBondContact O-N 3.34Å; R328-Q332 PolarHBondContact O-N 3.08Å |
| 329 | A | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -47 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | I313 I316 L325 L326 N331 Q332 L333 | I313-A329 HydrophobicContact CG1-CB 4.03Å; I313-A329 HydrophobicContact CG2-CB 4.2Å; I316-A329 HydrophobicContact CD1-CB 4.42Å; I316-A329 HydrophobicContact CG2-CB 4.44Å; L325-A329 WeakPolarHBondContact O-CB 3.27Å; L325-A329 PolarHBondContact O-N 3.37Å; L326-A329 PolarHBondContact O-N 3.31Å; A329-N331 PolarHBondContact O-N 3.24Å; A329-Q332 PolarHBondContact O-N 3.38Å; A329-L333 WeakPolarHBondContact O-CG 3.26Å; A329-L333 PolarHBondContact O-N 3.35Å |
| 330 | C | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.4 | -50.7 | 175 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | L326 V327 Q332 L333 G334 L355 A364 | L326-C330 WeakPolarHBondContact O-CB 3.44Å; L326-C330 PolarHBondContact O-N 2.85Å; V327-C330 PolarHBondContact O-N 3.23Å; C330-Q332 VanDerWaalsContact C-N 3.28Å; C330-Q332 PolarHBondContact O-N 3.39Å; C330-L333 PolarHBondContact O-N 3.47Å; C330-G334 PolarHBondContact O-N 3.38Å; C330-L355 HydrophobicContact CB-CD1 4.04Å; C330-A364 HydrophobicContact CB-CB 4.23Å; C330-A364 VanDerWaalsContact SG-C 3.58Å |
| 331 | N | 95.5 | Very high | 95.5 | Very high | 76 Ų | 76 | 46.7 Ų | 46.7 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.8 | -37.3 | 178.9 | -69.6 | -29.3 | 0 | 0 | 0 | 112.3 | V327 R328 A329 G334 Q335 | V327-N331 VanDerWaalsContact O-CG 3.23Å; V327-N331 PolarHBondContact O-N 3.03Å; V327-N331 PolarHBondContact O-ND2 3.35Å; R328-N331 PolarHBondContact O-N 3.34Å; A329-N331 PolarHBondContact O-N 3.24Å; N331-G334 PolarHBondContact O-N 3.11Å; N331-Q335 PolarHBondContact O-N 3.08Å |
| 332 | Q | 96.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.2 | -41.4 | 177.3 | -174.2 | 57 | 75.1 | 0 | 0 | 112.1 | L309 R328 A329 C330 G334 Q335 F336 | L309-Q332 HydrophobicContact CD1-CG 4.4Å; L309-Q332 HydrophobicContact CD2-CG 4.01Å; R328-Q332 PolarHBondContact O-N 3.08Å; A329-Q332 PolarHBondContact O-N 3.38Å; C330-Q332 VanDerWaalsContact C-N 3.28Å; C330-Q332 PolarHBondContact O-N 3.39Å; Q332-G334 VanDerWaalsContact C-N 3.3Å; Q332-Q335 PolarHBondContact O-N 3.23Å; Q332-F336 HydrophobicContact CG-CE2 4.49Å |
| 333 | L | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.8 | -35.4 | 173.4 | -64.3 | 173.5 | 0 | 0 | 0 | 111.3 | F310 I313 A329 C330 Q335 F336 L337 A348 M352 L355 | F310-L333 HydrophobicContact CD1-CD2 4.1Å; F310-L333 HydrophobicContact CE1-CD2 3.47Å; F310-L333 VanDerWaalsContact CE1-CD2 3.47Å; F310-L333 HydrophobicContact CZ-CD2 4.13Å; I313-L333 HydrophobicContact CD1-CD2 3.76Å; I313-L333 HydrophobicContact CD1-CG 4.01Å; I313-L333 HydrophobicContact CG2-CD1 4.09Å; A329-L333 WeakPolarHBondContact O-CG 3.26Å; A329-L333 PolarHBondContact O-N 3.35Å; C330-L333 PolarHBondContact O-N 3.47Å; L333-Q335 VanDerWaalsContact C-N 3.26Å; L333-Q335 PolarHBondContact O-N 3.33Å; L333-F336 HydrophobicContact CD2-CD2 4.45Å; L333-F336 WeakPolarHBondContact O-CA 3.16Å; L333-F336 WeakPolarHBondContact O-CB 3.41Å; L333-F336 PolarHBondContact O-N 2.83Å; L333-L337 PolarHBondContact O-N 3.06Å; L333-L337 VanDerWaalsContact O-N 3.16Å; L333-A348 HydrophobicContact CB-CB 4.48Å; L333-A348 HydrophobicContact CD2-CB 4.42Å; L333-M352 VanDerWaalsContact C-CE 3.44Å; L333-M352 HydrophobicContact CB-CE 3.63Å; L333-M352 HydrophobicContact CB-CG 3.95Å; L333-M352 HydrophobicContact CD1-CG 3.9Å; L333-L355 HydrophobicContact CD1-CD1 3.49Å; L333-L355 VanDerWaalsContact CD1-CD1 3.49Å |
| 334 | G | 96.6 | Very high | 96 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.1 | -37.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C330 N331 Q332 F336 L337 | C330-G334 PolarHBondContact O-N 3.38Å; N331-G334 PolarHBondContact O-N 3.11Å; Q332-G334 VanDerWaalsContact C-N 3.3Å; G334-F336 VanDerWaalsContact C-N 3.29Å; G334-F336 PolarHBondContact O-N 3.15Å; G334-L337 WeakPolarHBondContact O-CB 3.43Å; G334-L337 PolarHBondContact O-N 2.83Å |
| 335 | Q | 95.4 | Very high | 96.1 | Very high | 110 Ų | 110 | 45.4 Ų | 45.4 | 51% | 0.514 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.6 | -31.6 | 171.6 | -63.9 | 175.2 | 20.4 | 0 | 0 | 112.6 | N331 Q332 L333 L337 T338 | N331-Q335 PolarHBondContact O-N 3.08Å; Q332-Q335 PolarHBondContact O-N 3.23Å; L333-Q335 VanDerWaalsContact C-N 3.26Å; L333-Q335 PolarHBondContact O-N 3.33Å; Q335-L337 VanDerWaalsContact C-N 3.34Å; Q335-T338 PolarHBondContact O-OG1 2.73Å |
| 336 | F | 97.1 | Very high | 96.2 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75.2 | -21.2 | 178.2 | -72.9 | -36.7 | 0 | 0 | 0 | 113.8 | L309 F310 Q332 L333 G334 T338 H339 R345 A348 | L309-F336 HydrophobicContact CD2-CE2 3.57Å; L309-F336 HydrophobicContact CD2-CZ 3.75Å; F310-F336 HydrophobicContact CE2-CD2 4.07Å; F310-F336 AromaticContact CE2-CE2 3.94Å; F310-F336 HydrophobicContact CE2-CE2 3.94Å; F310-F336 AromaticContact CZ-CD2 3.73Å; F310-F336 HydrophobicContact CZ-CD2 3.73Å; F310-F336 HydrophobicContact CZ-CE2 4.05Å; Q332-F336 HydrophobicContact CG-CE2 4.49Å; L333-F336 HydrophobicContact CD2-CD2 4.45Å; L333-F336 WeakPolarHBondContact O-CA 3.16Å; L333-F336 WeakPolarHBondContact O-CB 3.41Å; L333-F336 PolarHBondContact O-N 2.83Å; G334-F336 VanDerWaalsContact C-N 3.29Å; G334-F336 PolarHBondContact O-N 3.15Å; F336-T338 PolarHBondContact O-N 3.02Å; F336-H339 HydrophobicContact CD1-CB 4.35Å; F336-H339 VanDerWaalsContact O-CB 3.23Å; F336-H339 WeakPolarHBondContact O-CB 3.48Å; F336-H339 PolarHBondContact O-N 3.19Å; F336-H339 VanDerWaalsContact O-N 3.09Å; F336-R345 WeakPolarHBondContact O-CG 3.41Å; F336-A348 HydrophobicContact CB-CB 3.61Å |
| 337 | L | 96.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -30.5 | 175.8 | -62.5 | -178.2 | 0 | 0 | 0 | 113 | L333 G334 Q335 R345 A348 L349 M352 H368 T371 I372 | L333-L337 PolarHBondContact O-N 3.06Å; L333-L337 VanDerWaalsContact O-N 3.16Å; G334-L337 WeakPolarHBondContact O-CB 3.43Å; G334-L337 PolarHBondContact O-N 2.83Å; Q335-L337 VanDerWaalsContact C-N 3.34Å; L337-R345 WeakPolarHBondContact O-CD 3.47Å; L337-R345 WeakPolarHBondContact O-CG 3.32Å; L337-A348 HydrophobicContact CD2-CB 3.89Å; L337-L349 HydrophobicContact CD2-CD2 3.55Å; L337-L349 HydrophobicContact CD2-CG 3.69Å; L337-M352 HydrophobicContact CD1-CE 3.77Å; L337-M352 HydrophobicContact CD1-SD 3.76Å; L337-M352 HydrophobicContact CD2-CE 4.5Å; L337-M352 HydrophobicContact CD2-SD 4.11Å; L337-M352 HydrophobicContact CG-CE 4.05Å; L337-M352 HydrophobicContact CG-SD 4.19Å; L337-H368 HydrophobicContact CD1-CB 4.12Å; L337-T371 HydrophobicContact CB-CG2 3.63Å; L337-T371 HydrophobicContact CD1-CG2 3.99Å; L337-I372 HydrophobicContact CD1-CG1 3.92Å |
| 338 | T | 95.6 | Very high | 96.3 | Very high | 100 Ų | 100 | 49 Ų | 49 | 61% | 0.613 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 10 | 177.4 | 58.4 | 0 | 0 | 0 | 0 | 113 | Q335 F336 T371 | Q335-T338 PolarHBondContact O-OG1 2.73Å; F336-T338 PolarHBondContact O-N 3.02Å; T338-T371 HydrophobicContact CG2-CG2 3.52Å |
| 339 | H | 95 | Very high | 96.4 | Very high | 51 Ų | 51 | 45 Ų | 45 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | trans | -69.9 | 146.1 | -177.5 | -168.8 | -91.3 | 0 | 0 | 0 | 111.5 | F336 E341 L344 R345 | F336-H339 HydrophobicContact CD1-CB 4.35Å; F336-H339 VanDerWaalsContact O-CB 3.23Å; F336-H339 WeakPolarHBondContact O-CB 3.48Å; F336-H339 PolarHBondContact O-N 3.19Å; F336-H339 VanDerWaalsContact O-N 3.09Å; H339-E341 VanDerWaalsContact C-N 3.27Å; H339-E341 WeakPolarHBondContact ND1-CB 3.48Å; H339-E341 PolarHBondContact ND1-N 3.24Å; H339-E341 VanDerWaalsContact ND1-N 3.15Å; H339-E341 PolarHBondContact O-N 2.98Å; H339-L344 HydrophobicContact CB-CB 4.5Å; H339-L344 VanDerWaalsContact CE1-CD1 3.4Å; H339-L344 WeakPolarHBondContact CE1-CD1 3.34Å; H339-L344 WeakPolarHBondContact ND1-CD1 3.2Å; H339-R345 VanDerWaalsContact O-CD 3.29Å; H339-R345 WeakPolarHBondContact O-CD 3.32Å; H339-R345 WeakPolarHBondContact O-CG 3.47Å; H339-R345 PolarHBondContact O-NH1 3.49Å | ||
| 340 | K | 92.8 | Very high | 96.3 | Very high | 171 Ų | 171 | 48 Ų | 48 | 74% | 0.743 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -59.2 | -32 | -178.2 | 66.4 | -176.8 | -177.6 | 177.5 | 0 | 114.6 | R345 | K340-R345 PolarHBondContact O-NH1 3.48Š|
| 341 | E | 93.8 | Very high | 96.3 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | trans | -83.8 | 120.6 | -178.4 | -61.2 | -67.9 | 154.6 | 0 | 0 | 111.2 | H339 N343 L344 R345 | H339-E341 VanDerWaalsContact C-N 3.27Å; H339-E341 WeakPolarHBondContact ND1-CB 3.48Å; H339-E341 PolarHBondContact ND1-N 3.24Å; H339-E341 VanDerWaalsContact ND1-N 3.15Å; H339-E341 PolarHBondContact O-N 2.98Å; E341-N343 VanDerWaalsContact C-N 3.32Å; E341-N343 PolarHBondContact O-N 3.4Å; E341-L344 HydrophobicContact CB-CB 4.36Å; E341-L344 HydrophobicContact CB-CD1 4.05Å; E341-L344 HydrophobicContact CB-CG 4.2Å; E341-L344 HydrophobicContact CG-CD1 4.32Å; E341-L344 PolarHBondContact O-N 3.46Å; E341-L344 VanDerWaalsContact O-N 3.12Å; E341-R345 PolarHBondContact O-N 3.19Å | ||
| 342 | T | 96.1 | Very high | 96.4 | Very high | 46 Ų | 46 | 44.8 Ų | 44.8 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.1 | -40.6 | -179.3 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | L344 R345 Y346 D381 V384 | T342-L344 PolarHBondContact O-N 3.12Å; T342-R345 PolarHBondContact O-N 2.93Å; T342-R345 VanDerWaalsContact O-N 3.16Å; T342-R345 PolarHBondContact OG1-NH2 3.32Å; T342-Y346 PolarHBondContact O-N 3.08Å; T342-D381 HydrophobicContact CG2-CB 4.04Å; T342-V384 HydrophobicContact CG2-CG2 3.73Å |
| 343 | N | 95.7 | Very high | 96.4 | Very high | 122 Ų | 122 | 45.1 Ų | 45.1 | 65% | 0.652 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.2 | -33.6 | 179.4 | -67 | -20.2 | 0 | 0 | 0 | 112.6 | E341 L347 | E341-N343 VanDerWaalsContact C-N 3.32Å; E341-N343 PolarHBondContact O-N 3.4Å; N343-L347 WeakPolarHBondContact O-CB 3.49Å; N343-L347 VanDerWaalsContact O-CG 3.25Å; N343-L347 WeakPolarHBondContact O-CG 3.49Å; N343-L347 PolarHBondContact O-N 3.5Å; N343-L347 VanDerWaalsContact O-N 3.08Å |
| 344 | L | 96.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.6 | -36.5 | 178.2 | -67.9 | 174.1 | 0 | 0 | 0 | 111.5 | N306 F310 H339 E341 T342 A348 | N306-L344 HydrophobicContact CB-CD2 4.04Å; N306-L344 WeakPolarHBondContact ND2-CD1 3.38Å; N306-L344 WeakPolarHBondContact ND2-CD2 3.1Å; F310-L344 HydrophobicContact CE2-CD2 3.75Å; F310-L344 HydrophobicContact CZ-CD2 4.48Å; H339-L344 HydrophobicContact CB-CB 4.5Å; H339-L344 VanDerWaalsContact CE1-CD1 3.4Å; H339-L344 WeakPolarHBondContact CE1-CD1 3.34Å; H339-L344 WeakPolarHBondContact ND1-CD1 3.2Å; E341-L344 HydrophobicContact CB-CB 4.36Å; E341-L344 HydrophobicContact CB-CD1 4.05Å; E341-L344 HydrophobicContact CB-CG 4.2Å; E341-L344 HydrophobicContact CG-CD1 4.32Å; E341-L344 PolarHBondContact O-N 3.46Å; E341-L344 VanDerWaalsContact O-N 3.12Å; T342-L344 PolarHBondContact O-N 3.12Å; L344-A348 WeakPolarHBondContact O-CB 3.19Å; L344-A348 PolarHBondContact O-N 2.91Å |
| 345 | R | 97.7 | Very high | 96 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 172.1 | -61.7 | -165.2 | -63.6 | -79.3 | 2.9 | 111.2 | F336 L337 H339 K340 E341 T342 A348 L349 E379 V384 | F336-R345 WeakPolarHBondContact O-CG 3.41Å; L337-R345 WeakPolarHBondContact O-CD 3.47Å; L337-R345 WeakPolarHBondContact O-CG 3.32Å; H339-R345 VanDerWaalsContact O-CD 3.29Å; H339-R345 WeakPolarHBondContact O-CD 3.32Å; H339-R345 WeakPolarHBondContact O-CG 3.47Å; H339-R345 PolarHBondContact O-NH1 3.49Å; K340-R345 PolarHBondContact O-NH1 3.48Å; E341-R345 PolarHBondContact O-N 3.19Å; T342-R345 PolarHBondContact O-N 2.93Å; T342-R345 VanDerWaalsContact O-N 3.16Å; T342-R345 PolarHBondContact OG1-NH2 3.32Å; R345-A348 PolarHBondContact O-N 3.44Å; R345-L349 WeakPolarHBondContact O-CG 3.23Å; R345-L349 PolarHBondContact O-N 2.97Å; R345-E379 IonicContact CZ-OE2 2.64Å; R345-E379 IonicContact NE-OE2 3.35Å; R345-E379 PolarHBondContact NE-OE2 3.31Å; R345-E379 VanDerWaalsContact NH2-CD 3.34Å; R345-E379 IonicContact NH2-OE1 3.3Å; R345-E379 PolarHBondContact NH2-OE1 2.9Å; R345-E379 IonicContact NH2-OE2 3.02Å; R345-E379 PolarHBondContact NH2-OE2 3.15Å; R345-V384 HydrophobicContact CB-CG1 4.5Å |
| 346 | Y | 98 | Very high | 95.9 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 26% | 0.255 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.7 | -54.8 | 176.1 | -179.7 | -86.9 | 0 | 0 | 0 | 111.9 | T342 A348 L349 E350 V384 R387 | T342-Y346 PolarHBondContact O-N 3.08Å; Y346-A348 VanDerWaalsContact C-N 3.26Å; Y346-A348 PolarHBondContact O-N 3.4Å; Y346-L349 PolarHBondContact O-N 3.35Å; Y346-E350 PolarHBondContact O-N 3.12Å; Y346-V384 HydrophobicContact CD2-CG2 4.26Å; Y346-R387 HydrophobicContact CD2-CG 3.91Å; Y346-R387 HydrophobicContact CE2-CG 3.48Å; Y346-R387 VanDerWaalsContact CE2-CG 3.48Å; Y346-R387 PolarHBondContact OH-NE 2.84Å; Y346-R387 VanDerWaalsContact OH-NE 3.15Å; Y346-R387 PolarHBondContact OH-NH2 3.38Å |
| 347 | L | 97.5 | Very high | 95.5 | Very high | 64 Ų | 64 | 47.5 Ų | 47.5 | 34% | 0.335 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -33.2 | -178.7 | -70.8 | 171.2 | 0 | 0 | 0 | 112.1 | F310 N343 S351 | F310-L347 HydrophobicContact CD1-CB 4.2Å; F310-L347 HydrophobicContact CD2-CD1 4.42Å; F310-L347 HydrophobicContact CE1-CB 3.62Å; F310-L347 HydrophobicContact CE2-CB 4.16Å; F310-L347 HydrophobicContact CE2-CD1 4.31Å; F310-L347 HydrophobicContact CZ-CB 3.61Å; N343-L347 WeakPolarHBondContact O-CB 3.49Å; N343-L347 VanDerWaalsContact O-CG 3.25Å; N343-L347 WeakPolarHBondContact O-CG 3.49Å; N343-L347 PolarHBondContact O-N 3.5Å; N343-L347 VanDerWaalsContact O-N 3.08Å; L347-S351 WeakPolarHBondContact O-CB 3.39Å; L347-S351 PolarHBondContact O-N 2.55Å; L347-S351 PolarHBondContact O-OG 3.48Å |
| 348 | A | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.5 | -47.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L333 F336 L337 L344 R345 Y346 E350 S351 M352 | L333-A348 HydrophobicContact CB-CB 4.48Å; L333-A348 HydrophobicContact CD2-CB 4.42Å; F336-A348 HydrophobicContact CB-CB 3.61Å; L337-A348 HydrophobicContact CD2-CB 3.89Å; L344-A348 WeakPolarHBondContact O-CB 3.19Å; L344-A348 PolarHBondContact O-N 2.91Å; R345-A348 PolarHBondContact O-N 3.44Å; Y346-A348 VanDerWaalsContact C-N 3.26Å; Y346-A348 PolarHBondContact O-N 3.4Å; A348-E350 VanDerWaalsContact C-N 3.35Å; A348-E350 PolarHBondContact O-N 2.73Å; A348-S351 PolarHBondContact O-N 2.63Å; A348-M352 WeakPolarHBondContact O-CB 3.41Å; A348-M352 VanDerWaalsContact O-CG 3.31Å; A348-M352 WeakPolarHBondContact O-CG 3.31Å; A348-M352 PolarHBondContact O-N 3.48Å |
| 349 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 175.3 | -70.2 | 166.1 | 0 | 0 | 0 | 111.6 | L337 R345 Y346 M352 C353 I372 V384 R387 A388 L391 | L337-L349 HydrophobicContact CD2-CD2 3.55Å; L337-L349 HydrophobicContact CD2-CG 3.69Å; R345-L349 WeakPolarHBondContact O-CG 3.23Å; R345-L349 PolarHBondContact O-N 2.97Å; Y346-L349 PolarHBondContact O-N 3.35Å; L349-M352 PolarHBondContact O-N 2.97Å; L349-C353 PolarHBondContact O-N 2.9Å; L349-C353 PolarHBondContact O-SG 3.05Å; L349-I372 HydrophobicContact CD2-CG1 4.45Å; L349-I372 HydrophobicContact CD2-CG2 4.34Å; L349-V384 HydrophobicContact CD1-CG1 3.56Å; L349-V384 WeakPolarHBondContact CD1-O 3.48Å; L349-R387 HydrophobicContact CB-CB 3.73Å; L349-R387 HydrophobicContact CD1-CB 4.08Å; L349-A388 HydrophobicContact CD1-CB 4.28Å; L349-A388 HydrophobicContact CD2-CB 4.42Å; L349-L391 HydrophobicContact CD2-CD2 3.71Å |
| 350 | E | 96.4 | Very high | 94.6 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 178.2 | -176.4 | 168.7 | -117.2 | 0 | 0 | 112 | Y346 A348 C353 R387 | Y346-E350 PolarHBondContact O-N 3.12Å; A348-E350 VanDerWaalsContact C-N 3.35Å; A348-E350 PolarHBondContact O-N 2.73Å; E350-C353 WeakPolarHBondContact O-CB 3.41Å; E350-C353 PolarHBondContact O-N 3.33Å; E350-R387 IonicContact OE1-CZ 3.3Å; E350-R387 IonicContact OE1-NE 2.79Å; E350-R387 IonicContact OE1-NH2 3.02Å; E350-R387 PolarHBondContact OE1-NH2 3.14Å |
| 351 | S | 96.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.6 | -34.8 | 177.6 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | F310 L347 A348 C353 L354 L355 | F310-S351 WeakPolarHBondContact CD1-OG 3.43Å; L347-S351 WeakPolarHBondContact O-CB 3.39Å; L347-S351 PolarHBondContact O-N 2.55Å; L347-S351 PolarHBondContact O-OG 3.48Å; A348-S351 PolarHBondContact O-N 2.63Å; S351-C353 VanDerWaalsContact C-N 3.32Å; S351-C353 PolarHBondContact O-N 2.92Å; S351-L354 PolarHBondContact O-N 3.1Å; S351-L355 PolarHBondContact O-N 2.98Å |
| 352 | M | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.2 | -30.9 | 174.8 | -80.8 | -167.4 | 174.4 | 0 | 0 | 113 | L333 L337 A348 L349 L354 L355 A356 L391 | L333-M352 VanDerWaalsContact C-CE 3.44Å; L333-M352 HydrophobicContact CB-CE 3.63Å; L333-M352 HydrophobicContact CB-CG 3.95Å; L333-M352 HydrophobicContact CD1-CG 3.9Å; L337-M352 HydrophobicContact CD1-CE 3.77Å; L337-M352 HydrophobicContact CD1-SD 3.76Å; L337-M352 HydrophobicContact CD2-CE 4.5Å; L337-M352 HydrophobicContact CD2-SD 4.11Å; L337-M352 HydrophobicContact CG-CE 4.05Å; L337-M352 HydrophobicContact CG-SD 4.19Å; A348-M352 WeakPolarHBondContact O-CB 3.41Å; A348-M352 VanDerWaalsContact O-CG 3.31Å; A348-M352 WeakPolarHBondContact O-CG 3.31Å; A348-M352 PolarHBondContact O-N 3.48Å; L349-M352 PolarHBondContact O-N 2.97Å; M352-L354 PolarHBondContact O-N 3.14Å; M352-L355 PolarHBondContact O-N 2.72Å; M352-A356 WeakPolarHBondContact O-CB 3.09Å; M352-A356 PolarHBondContact O-N 2.91Å; M352-L391 HydrophobicContact CB-CD1 3.84Å; M352-L391 HydrophobicContact CB-CD2 3.63Å; M352-L391 HydrophobicContact CB-CG 4.41Å; M352-L391 HydrophobicContact CG-CD2 4.43Å; M352-L391 HydrophobicContact SD-CD2 3.88Å |
| 353 | C | 95.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 11% | 0.108 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -40.8 | 174.2 | -68.4 | 0 | 0 | 0 | 0 | 110.7 | L349 E350 S351 A356 L391 | L349-C353 PolarHBondContact O-N 2.9Å; L349-C353 PolarHBondContact O-SG 3.05Å; E350-C353 WeakPolarHBondContact O-CB 3.41Å; E350-C353 PolarHBondContact O-N 3.33Å; S351-C353 VanDerWaalsContact C-N 3.32Å; S351-C353 PolarHBondContact O-N 2.92Å; C353-A356 PolarHBondContact O-N 3.09Å; C353-L391 VanDerWaalsContact SG-CA 3.59Å; C353-L391 PolarHBondContact SG-N 3.12Å |
| 354 | L | 92.1 | Very high | 94.4 | Very high | 64 Ų | 64 | 42.7 Ų | 42.7 | 34% | 0.335 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.3 | -43.3 | 176.3 | -58.4 | 174.3 | 0 | 0 | 0 | 111.3 | I317 S351 M352 A356 T357 F622 | I317-L354 HydrophobicContact CD1-CB 4.18Å; I317-L354 HydrophobicContact CG2-CB 3.96Å; S351-L354 PolarHBondContact O-N 3.1Å; M352-L354 PolarHBondContact O-N 3.14Å; L354-A356 VanDerWaalsContact C-N 3.26Å; L354-A356 PolarHBondContact O-N 3.07Å; L354-T357 PolarHBondContact O-N 2.82Å; L354-T357 VanDerWaalsContact O-N 3.13Å; L354-T357 PolarHBondContact O-OG1 2.73Å; L354-F622 HydrophobicContact CD2-CD1 4.16Å; L354-F622 HydrophobicContact CD2-CE1 3.89Å |
| 355 | L | 93.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -31.7 | 174.5 | -79.7 | 168.1 | 0 | 0 | 0 | 113.7 | I317 L326 C330 L333 S351 M352 T357 S358 S361 V365 | I317-L355 HydrophobicContact CD1-CD1 4.48Å; I317-L355 HydrophobicContact CD1-CD2 4.16Å; I317-L355 HydrophobicContact CD1-CG 3.76Å; I317-L355 HydrophobicContact CG1-CD2 3.57Å; I317-L355 HydrophobicContact CG1-CG 3.75Å; L326-L355 HydrophobicContact CD2-CD2 3.65Å; C330-L355 HydrophobicContact CB-CD1 4.04Å; L333-L355 HydrophobicContact CD1-CD1 3.49Å; L333-L355 VanDerWaalsContact CD1-CD1 3.49Å; S351-L355 PolarHBondContact O-N 2.98Å; M352-L355 PolarHBondContact O-N 2.72Å; L355-T357 PolarHBondContact O-N 3.4Å; L355-S358 PolarHBondContact O-N 3.47Å; L355-S361 WeakPolarHBondContact CD2-OG 3.31Å; L355-S361 PolarHBondContact O-OG 3.49Å; L355-V365 HydrophobicContact CB-CG2 3.96Å |
| 356 | A | 93.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M352 C353 L354 H362 V365 L391 A394 M395 | M352-A356 WeakPolarHBondContact O-CB 3.09Å; M352-A356 PolarHBondContact O-N 2.91Å; C353-A356 PolarHBondContact O-N 3.09Å; L354-A356 VanDerWaalsContact C-N 3.26Å; L354-A356 PolarHBondContact O-N 3.07Å; A356-H362 PolarHBondContact O-ND1 3.4Å; A356-V365 HydrophobicContact CB-CG1 4.29Å; A356-L391 HydrophobicContact CB-CD1 4.18Å; A356-A394 HydrophobicContact CB-CB 3.91Å; A356-M395 HydrophobicContact CB-CB 4.46Å |
| 357 | T | 88.8 | Confident | 94.2 | Very high | 115 Ų | 115 | 47.2 Ų | 47.2 | 71% | 0.706 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -19.2 | 177.1 | 69.5 | 0 | 0 | 0 | 0 | 113.8 | L354 L355 | L354-T357 PolarHBondContact O-N 2.82Å; L354-T357 VanDerWaalsContact O-N 3.13Å; L354-T357 PolarHBondContact O-OG1 2.73Å; L355-T357 PolarHBondContact O-N 3.4Å |
| 358 | S | 89.6 | Confident | 94.2 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -83 | 131.8 | 178.3 | 165 | 0 | 0 | 0 | 0 | 111.4 | D320 L355 Y360 S361 H362 | D320-S358 VanDerWaalsContact OD1-CB 3.24Å; D320-S358 WeakPolarHBondContact OD1-CB 3.43Å; D320-S358 PolarHBondContact OD1-OG 3.43Å; L355-S358 PolarHBondContact O-N 3.47Å; S358-Y360 PolarHBondContact O-N 3.41Å; S358-Y360 PolarHBondContact OG-N 3.36Å; S358-S361 WeakPolarHBondContact CB-OG 3.3Å; S358-S361 PolarHBondContact O-N 3.34Å; S358-H362 WeakPolarHBondContact O-CB 3.49Å; S358-H362 PolarHBondContact O-N 2.56Å |
| 359 | E | 88.8 | Confident | 94.2 | Very high | 174 Ų | 174 | 46.3 Ų | 46.3 | 81% | 0.813 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -31.6 | 176.6 | -63.7 | -173.8 | 170.6 | 0 | 0 | 112.2 | ||
| 360 | Y | 90.3 | Very high | 94.1 | Very high | 124 Ų | 124 | 52 Ų | 52 | 49% | 0.486 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -31.8 | -176 | -56.1 | -61.1 | 0 | 0 | 0 | 113.4 | D320 P323 L326 S358 | D320-Y360 WeakPolarHBondContact O-CE2 3.47Å; P323-Y360 HydrophobicContact CB-CD1 4.45Å; P323-Y360 HydrophobicContact CB-CG 4.41Å; P323-Y360 HydrophobicContact CG-CD1 3.81Å; P323-Y360 HydrophobicContact CG-CE1 4.32Å; P323-Y360 HydrophobicContact CG-CG 3.96Å; L326-Y360 HydrophobicContact CD1-CD2 4.02Å; L326-Y360 HydrophobicContact CD1-CG 4.36Å; S358-Y360 PolarHBondContact O-N 3.41Å; S358-Y360 PolarHBondContact OG-N 3.36Å |
| 361 | S | 92.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -10.5 | -179.5 | 44.4 | 0 | 0 | 0 | 0 | 115.1 | L355 S358 E363 A364 V365 | L355-S361 WeakPolarHBondContact CD2-OG 3.31Å; L355-S361 PolarHBondContact O-OG 3.49Å; S358-S361 WeakPolarHBondContact CB-OG 3.3Å; S358-S361 PolarHBondContact O-N 3.34Å; S361-E363 VanDerWaalsContact C-N 3.32Å; S361-E363 PolarHBondContact O-N 3.32Å; S361-A364 WeakPolarHBondContact O-CA 3.47Å; S361-A364 WeakPolarHBondContact O-CB 3.49Å; S361-A364 PolarHBondContact O-N 3.23Å; S361-V365 PolarHBondContact O-N 3.27Å |
| 362 | H | 92.7 | Very high | 94.2 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 15% | 0.153 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -51.4 | -47.7 | -175.5 | -165.3 | 81.8 | 0 | 0 | 0 | 113 | A356 S358 A364 V365 K366 D397 | A356-H362 PolarHBondContact O-ND1 3.4Å; S358-H362 WeakPolarHBondContact O-CB 3.49Å; S358-H362 PolarHBondContact O-N 2.56Å; H362-A364 VanDerWaalsContact C-N 3.33Å; H362-A364 PolarHBondContact O-N 2.78Å; H362-V365 PolarHBondContact O-N 3.12Å; H362-K366 PolarHBondContact O-N 2.72Å; H362-K366 VanDerWaalsContact O-N 3.16Å; H362-D397 IonicContact NE2-OD2 3.87Å |
| 363 | E | 94.4 | Very high | 94.2 | Very high | 114 Ų | 114 | 51.1 Ų | 51.1 | 53% | 0.533 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -32.6 | 177.2 | -67.3 | -55.7 | 137.8 | 0 | 0 | 113.6 | S361 K366 | S361-E363 VanDerWaalsContact C-N 3.32Å; S361-E363 PolarHBondContact O-N 3.32Å; E363-K366 VanDerWaalsContact CD-NZ 3.26Å; E363-K366 WeakPolarHBondContact OE1-CE 3.5Å; E363-K366 IonicContact OE1-NZ 3.24Å; E363-K366 PolarHBondContact OE1-NZ 3Å; E363-K366 WeakPolarHBondContact OE2-CE 3.32Å; E363-K366 IonicContact OE2-NZ 2.84Å; E363-K366 PolarHBondContact OE2-NZ 3.11Å; E363-K366 VanDerWaalsContact OE2-NZ 3.16Å |
| 364 | A | 95 | Very high | 94.3 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.4 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | V327 C330 S361 H362 K366 K367 | V327-A364 HydrophobicContact CG1-CB 4.48Å; V327-A364 HydrophobicContact CG2-CB 4.21Å; C330-A364 HydrophobicContact CB-CB 4.23Å; C330-A364 VanDerWaalsContact SG-C 3.58Å; S361-A364 WeakPolarHBondContact O-CA 3.47Å; S361-A364 WeakPolarHBondContact O-CB 3.49Å; S361-A364 PolarHBondContact O-N 3.23Å; H362-A364 VanDerWaalsContact C-N 3.33Å; H362-A364 PolarHBondContact O-N 2.78Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-K366 PolarHBondContact O-N 3.44Å; A364-K367 WeakPolarHBondContact O-CB 3.5Å; A364-K367 PolarHBondContact O-N 2.65Å |
| 365 | V | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | L355 A356 S361 H362 K367 H368 L391 M395 | L355-V365 HydrophobicContact CB-CG2 3.96Å; A356-V365 HydrophobicContact CB-CG1 4.29Å; S361-V365 PolarHBondContact O-N 3.27Å; H362-V365 PolarHBondContact O-N 3.12Å; V365-K367 PolarHBondContact O-N 2.87Å; V365-H368 PolarHBondContact O-N 3.13Å; V365-L391 HydrophobicContact CG1-CD1 3.96Å; V365-M395 HydrophobicContact CG1-CB 4.18Å; V365-M395 HydrophobicContact CG1-CE 4.4Å |
| 366 | K | 95.7 | Very high | 94.5 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.5 | -29.9 | 177.8 | -73.5 | -169.4 | -64.3 | -175.9 | 0 | 114.4 | H362 E363 A364 H368 L369 M395 D397 S399 N400 | H362-K366 PolarHBondContact O-N 2.72Å; H362-K366 VanDerWaalsContact O-N 3.16Å; E363-K366 VanDerWaalsContact CD-NZ 3.26Å; E363-K366 WeakPolarHBondContact OE1-CE 3.5Å; E363-K366 IonicContact OE1-NZ 3.24Å; E363-K366 PolarHBondContact OE1-NZ 3Å; E363-K366 WeakPolarHBondContact OE2-CE 3.32Å; E363-K366 IonicContact OE2-NZ 2.84Å; E363-K366 PolarHBondContact OE2-NZ 3.11Å; E363-K366 VanDerWaalsContact OE2-NZ 3.16Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-K366 PolarHBondContact O-N 3.44Å; K366-H368 PolarHBondContact O-N 3.02Å; K366-H368 VanDerWaalsContact O-N 3.1Å; K366-L369 VanDerWaalsContact O-CB 3.32Å; K366-L369 WeakPolarHBondContact O-CB 3.4Å; K366-L369 PolarHBondContact O-N 2.86Å; K366-L369 VanDerWaalsContact O-N 3.11Å; K366-M395 VanDerWaalsContact CA-CE 3.5Å; K366-M395 HydrophobicContact CB-CE 4.34Å; K366-M395 HydrophobicContact CG-CE 4.11Å; K366-D397 IonicContact NZ-OD2 2.93Å; K366-D397 PolarHBondContact NZ-OD2 2.96Å; K366-S399 PolarHBondContact NZ-OG 2.86Å; K366-N400 WeakPolarHBondContact CD-ND2 3.37Å |
| 367 | K | 96.2 | Very high | 94.6 | Very high | 171 Ų | 171 | 57 Ų | 57 | 74% | 0.743 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.3 | 175.8 | -63.8 | 178.1 | -177.4 | 177.6 | 0 | 113.7 | A364 V365 | A364-K367 WeakPolarHBondContact O-CB 3.5Å; A364-K367 PolarHBondContact O-N 2.65Å; V365-K367 PolarHBondContact O-N 2.87Å |
| 368 | H | 97 | Very high | 94.7 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 6.4 | 177.6 | -65.7 | -65.2 | 0 | 0 | 0 | 113.9 | L337 V365 K366 D370 T371 I372 | L337-H368 HydrophobicContact CD1-CB 4.12Å; V365-H368 PolarHBondContact O-N 3.13Å; K366-H368 PolarHBondContact O-N 3.02Å; K366-H368 VanDerWaalsContact O-N 3.1Å; H368-D370 PolarHBondContact O-N 3.37Å; H368-T371 WeakPolarHBondContact O-CB 3.26Å; H368-T371 PolarHBondContact O-N 2.94Å; H368-I372 HydrophobicContact CB-CD1 4.06Å; H368-I372 HydrophobicContact CB-CG1 4.43Å; H368-I372 WeakPolarHBondContact O-CG1 3.28Å; H368-I372 PolarHBondContact O-N 3.47Å |
| 369 | L | 97.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -48.7 | -51.3 | -175.3 | 179.5 | 57.9 | 0 | 0 | 0 | 113.2 | K366 T371 I372 I373 L392 M395 E403 V404 | K366-L369 VanDerWaalsContact O-CB 3.32Å; K366-L369 WeakPolarHBondContact O-CB 3.4Å; K366-L369 PolarHBondContact O-N 2.86Å; K366-L369 VanDerWaalsContact O-N 3.11Å; L369-T371 VanDerWaalsContact C-N 3.26Å; L369-T371 PolarHBondContact O-N 3.36Å; L369-I372 WeakPolarHBondContact O-CB 3.36Å; L369-I372 PolarHBondContact O-N 2.91Å; L369-I373 HydrophobicContact CD1-CD1 3.84Å; L369-I373 HydrophobicContact CD1-CG1 4.12Å; L369-I373 HydrophobicContact CG-CD1 3.78Å; L369-I373 HydrophobicContact CG-CG1 4.48Å; L369-I373 WeakPolarHBondContact O-CG1 3.31Å; L369-I373 PolarHBondContact O-N 3.5Å; L369-L392 HydrophobicContact CD1-CD2 3.49Å; L369-L392 VanDerWaalsContact CD1-CD2 3.49Å; L369-M395 HydrophobicContact CB-CE 3.95Å; L369-M395 HydrophobicContact CD1-CE 3.95Å; L369-M395 HydrophobicContact CD1-SD 4.11Å; L369-E403 HydrophobicContact CD2-CG 4.32Å; L369-E403 WeakPolarHBondContact CD2-OE2 3.33Å; L369-V404 HydrophobicContact CD1-CG2 4.04Å |
| 370 | D | 97.2 | Very high | 95 | Very high | 120 Ų | 120 | 57.4 Ų | 57.4 | 64% | 0.642 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57.5 | -39.1 | 179 | -67.5 | -35.6 | 0 | 0 | 0 | 113 | H368 H374 | H368-D370 PolarHBondContact O-N 3.37Å; D370-H374 WeakPolarHBondContact O-CB 3.3Å; D370-H374 PolarHBondContact O-N 3Å |
| 371 | T | 97 | Very high | 95.2 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 23% | 0.233 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.5 | -34.7 | 180 | -53 | 0 | 0 | 0 | 0 | 111.2 | L337 T338 H368 L369 H374 S375 | L337-T371 HydrophobicContact CB-CG2 3.63Å; L337-T371 HydrophobicContact CD1-CG2 3.99Å; T338-T371 HydrophobicContact CG2-CG2 3.52Å; H368-T371 WeakPolarHBondContact O-CB 3.26Å; H368-T371 PolarHBondContact O-N 2.94Å; L369-T371 VanDerWaalsContact C-N 3.26Å; L369-T371 PolarHBondContact O-N 3.36Å; T371-H374 PolarHBondContact O-N 2.99Å; T371-S375 PolarHBondContact O-N 2.82Å; T371-S375 PolarHBondContact O-OG 2.8Å |
| 372 | I | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.6 | -42.7 | 177.3 | -60.9 | 160.1 | 0 | 0 | 0 | 109.9 | L337 L349 H368 L369 H374 S375 L376 A388 L391 L392 M395 | L337-I372 HydrophobicContact CD1-CG1 3.92Å; L349-I372 HydrophobicContact CD2-CG1 4.45Å; L349-I372 HydrophobicContact CD2-CG2 4.34Å; H368-I372 HydrophobicContact CB-CD1 4.06Å; H368-I372 HydrophobicContact CB-CG1 4.43Å; H368-I372 WeakPolarHBondContact O-CG1 3.28Å; H368-I372 PolarHBondContact O-N 3.47Å; L369-I372 WeakPolarHBondContact O-CB 3.36Å; L369-I372 PolarHBondContact O-N 2.91Å; I372-H374 VanDerWaalsContact C-N 3.31Å; I372-H374 PolarHBondContact O-N 3.45Å; I372-S375 CarbonylContact O-C 3.6Å; I372-S375 WeakPolarHBondContact O-CA 3.01Å; I372-S375 VanDerWaalsContact O-CB 3.32Å; I372-S375 WeakPolarHBondContact O-CB 3.3Å; I372-S375 PolarHBondContact O-N 3.35Å; I372-L376 PolarHBondContact O-N 2.99Å; I372-A388 HydrophobicContact CG2-CB 4.28Å; I372-L391 HydrophobicContact CD1-CD2 3.41Å; I372-L391 VanDerWaalsContact CD1-CD2 3.41Å; I372-L391 HydrophobicContact CD1-CG 3.88Å; I372-L391 HydrophobicContact CG1-CD2 3.73Å; I372-L391 HydrophobicContact CG1-CG 4.5Å; I372-L391 HydrophobicContact CG2-CB 4.36Å; I372-L391 HydrophobicContact CG2-CD2 4.12Å; I372-L391 HydrophobicContact CG2-CG 4.31Å; I372-L392 HydrophobicContact CG2-CD2 3.91Å; I372-L392 HydrophobicContact CG2-CG 3.83Å; I372-M395 HydrophobicContact CD1-CE 3.98Å; I372-M395 HydrophobicContact CD1-SD 3.62Å |
| 373 | I | 97.3 | Very high | 95.2 | Very high | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 172 | -71.3 | 166.6 | 0 | 0 | 0 | 110.7 | L369 S375 L376 K377 L392 E407 | L369-I373 HydrophobicContact CD1-CD1 3.84Å; L369-I373 HydrophobicContact CD1-CG1 4.12Å; L369-I373 HydrophobicContact CG-CD1 3.78Å; L369-I373 HydrophobicContact CG-CG1 4.48Å; L369-I373 WeakPolarHBondContact O-CG1 3.31Å; L369-I373 PolarHBondContact O-N 3.5Å; I373-S375 VanDerWaalsContact C-N 3.26Å; I373-S375 PolarHBondContact O-N 3.39Å; I373-L376 WeakPolarHBondContact O-CB 3.4Å; I373-L376 PolarHBondContact O-N 3.17Å; I373-L376 VanDerWaalsContact O-N 3.13Å; I373-K377 HydrophobicContact CG2-CD 4.24Å; I373-K377 PolarHBondContact O-N 2.96Å; I373-L392 HydrophobicContact CG1-CD2 4.2Å; I373-E407 HydrophobicContact CD1-CB 4.37Å; I373-E407 HydrophobicContact CD1-CG 3.89Å; I373-E407 HydrophobicContact CG1-CB 4.42Å; I373-E407 HydrophobicContact CG1-CG 4.43Å; I373-E407 WeakPolarHBondContact CG2-OE2 3.18Å |
| 374 | H | 95.8 | Very high | 95.3 | Very high | 130 Ų | 130 | 52.6 Ų | 52.6 | 60% | 0.602 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.7 | -37.3 | 174.3 | -173.7 | 78.2 | 0 | 0 | 0 | 111.9 | D370 T371 I372 L376 K377 G378 | D370-H374 WeakPolarHBondContact O-CB 3.3Å; D370-H374 PolarHBondContact O-N 3Å; T371-H374 PolarHBondContact O-N 2.99Å; I372-H374 VanDerWaalsContact C-N 3.31Å; I372-H374 PolarHBondContact O-N 3.45Å; H374-L376 VanDerWaalsContact C-N 3.35Å; H374-K377 PolarHBondContact O-N 2.55Å; H374-G378 WeakPolarHBondContact O-CA 3.49Å; H374-G378 PolarHBondContact O-N 2.95Å |
| 375 | S | 95.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.9 | -33 | 175.2 | -56.2 | 0 | 0 | 0 | 0 | 112.5 | T371 I372 I373 E379 | T371-S375 PolarHBondContact O-N 2.82Å; T371-S375 PolarHBondContact O-OG 2.8Å; I372-S375 CarbonylContact O-C 3.6Å; I372-S375 WeakPolarHBondContact O-CA 3.01Å; I372-S375 VanDerWaalsContact O-CB 3.32Å; I372-S375 WeakPolarHBondContact O-CB 3.3Å; I372-S375 PolarHBondContact O-N 3.35Å; I373-S375 VanDerWaalsContact C-N 3.26Å; I373-S375 PolarHBondContact O-N 3.39Å; S375-E379 WeakPolarHBondContact O-CB 3.49Å |
| 376 | L | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.4 | -47.9 | 173.6 | 178.6 | 62.1 | 0 | 0 | 0 | 111.8 | I372 I373 H374 R385 A388 V389 L392 Y411 | I372-L376 PolarHBondContact O-N 2.99Å; I373-L376 WeakPolarHBondContact O-CB 3.4Å; I373-L376 PolarHBondContact O-N 3.17Å; I373-L376 VanDerWaalsContact O-N 3.13Å; H374-L376 VanDerWaalsContact C-N 3.35Å; L376-R385 HydrophobicContact CD1-CB 4.37Å; L376-R385 WeakPolarHBondContact O-CD 3.21Å; L376-R385 WeakPolarHBondContact O-CG 3.46Å; L376-A388 HydrophobicContact CB-CB 4.07Å; L376-V389 HydrophobicContact CD1-CG2 3.45Å; L376-V389 VanDerWaalsContact CD1-CG2 3.45Å; L376-L392 HydrophobicContact CD2-CD1 3.71Å; L376-Y411 HydrophobicContact CD1-CD1 3.5Å; L376-Y411 HydrophobicContact CD1-CE1 3.57Å; L376-Y411 HydrophobicContact CD1-CG 4.08Å; L376-Y411 HydrophobicContact CD2-CD1 3.99Å; L376-Y411 HydrophobicContact CD2-CG 4.02Å; L376-Y411 HydrophobicContact CG-CD1 3.73Å; L376-Y411 HydrophobicContact CG-CD2 4.23Å; L376-Y411 HydrophobicContact CG-CE1 4.19Å; L376-Y411 HydrophobicContact CG-CG 3.78Å; L376-Y411 WeakPolarHBondContact O-CE2 3.48Å |
| 377 | K | 94.3 | Very high | 95.3 | Very high | 70 Ų | 70 | 56.9 Ų | 56.9 | 30% | 0.304 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -87.9 | -37.6 | -170.6 | -64.5 | -175.7 | 178.8 | 179.8 | 0 | 114 | I373 H374 E407 Y411 | I373-K377 HydrophobicContact CG2-CD 4.24Å; I373-K377 PolarHBondContact O-N 2.96Å; H374-K377 PolarHBondContact O-N 2.55Å; K377-E407 WeakPolarHBondContact CE-OE2 3.44Å; K377-E407 IonicContact NZ-OE1 2.68Å; K377-E407 PolarHBondContact NZ-OE1 2.84Å; K377-E407 IonicContact NZ-OE2 3.38Å; K377-E407 PolarHBondContact NZ-OE2 2.77Å; K377-Y411 HydrophobicContact CG-CD2 4.35Å |
| 378 | G | 91.1 | Very high | 95.3 | Very high | 50 Ų | 50 | 48.8 Ų | 48.8 | 52% | 0.515 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -98.5 | -20.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H374 | H374-G378 WeakPolarHBondContact O-CA 3.49Å; H374-G378 PolarHBondContact O-N 2.95Å |
| 379 | E | 93.5 | Very high | 95.3 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | trans | -69.2 | 149.2 | -178.5 | -175.5 | 54.7 | -99.1 | 0 | 0 | 111.7 | R345 S375 D381 V384 R385 | R345-E379 IonicContact CZ-OE2 2.64Å; R345-E379 IonicContact NE-OE2 3.35Å; R345-E379 PolarHBondContact NE-OE2 3.31Å; R345-E379 VanDerWaalsContact NH2-CD 3.34Å; R345-E379 IonicContact NH2-OE1 3.3Å; R345-E379 PolarHBondContact NH2-OE1 2.9Å; R345-E379 IonicContact NH2-OE2 3.02Å; R345-E379 PolarHBondContact NH2-OE2 3.15Å; S375-E379 WeakPolarHBondContact O-CB 3.49Å; E379-D381 HydrophobicContact CG-CB 4.33Å; E379-V384 HydrophobicContact CB-CG1 4.45Å; E379-V384 HydrophobicContact CG-CB 3.64Å; E379-V384 HydrophobicContact CG-CG1 3.65Å; E379-V384 HydrophobicContact CG-CG2 4.33Å; E379-R385 HydrophobicContact CB-CG 4.14Å; E379-R385 PolarHBondContact O-NE 2.88Å; E379-R385 PolarHBondContact O-NH2 3.07Å | ||
| 380 | R | 92.4 | Very high | 95.2 | Very high | 229 Ų | 229 | 47.9 Ų | 47.9 | 86% | 0.864 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -90.8 | -30.5 | 177.3 | -64.7 | -177.1 | -176.6 | -178.2 | 0.5 | 112.9 | ||
| 381 | D | 93.7 | Very high | 95.3 | Very high | 63 Ų | 63 | 42.2 Ų | 42.2 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | trans | -80.8 | 117.9 | -177.7 | -166.6 | -47.2 | 0 | 0 | 0 | 111.5 | T342 E379 S383 V384 R385 | T342-D381 HydrophobicContact CG2-CB 4.04Å; E379-D381 HydrophobicContact CG-CB 4.33Å; D381-S383 PolarHBondContact O-N 3.42Å; D381-S383 WeakPolarHBondContact OD1-CA 3.26Å; D381-S383 WeakPolarHBondContact OD1-CB 3.22Å; D381-S383 PolarHBondContact OD1-N 3.16Å; D381-S383 PolarHBondContact OD1-OG 2.91Å; D381-V384 HydrophobicContact CB-CB 4.31Å; D381-V384 HydrophobicContact CB-CG2 3.93Å; D381-V384 PolarHBondContact O-N 3.21Å; D381-R385 PolarHBondContact O-N 3.09Å; D381-R385 VanDerWaalsContact O-N 3.14Å | ||
| 382 | V | 91.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 30% | 0.303 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.6 | -30.2 | 179.2 | 66.7 | 0 | 0 | 0 | 0 | 113 | R385 T386 | V382-R385 PolarHBondContact O-N 3.39Å; V382-T386 WeakPolarHBondContact O-CB 3.22Å; V382-T386 PolarHBondContact O-N 3.13Å; V382-T386 PolarHBondContact O-OG1 3.37Å |
| 383 | S | 93.3 | Very high | 95.2 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 39% | 0.392 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 179.1 | -33.5 | 0 | 0 | 0 | 0 | 110.7 | D381 T386 R387 | D381-S383 PolarHBondContact O-N 3.42Å; D381-S383 WeakPolarHBondContact OD1-CA 3.26Å; D381-S383 WeakPolarHBondContact OD1-CB 3.22Å; D381-S383 PolarHBondContact OD1-N 3.16Å; D381-S383 PolarHBondContact OD1-OG 2.91Å; S383-T386 PolarHBondContact O-N 3Å; S383-R387 PolarHBondContact O-N 3.35Å; S383-R387 VanDerWaalsContact O-N 3.09Å |
| 384 | V | 96.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.5 | -42.3 | 176 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | T342 R345 Y346 L349 E379 D381 T386 R387 A388 | T342-V384 HydrophobicContact CG2-CG2 3.73Å; R345-V384 HydrophobicContact CB-CG1 4.5Å; Y346-V384 HydrophobicContact CD2-CG2 4.26Å; L349-V384 HydrophobicContact CD1-CG1 3.56Å; L349-V384 WeakPolarHBondContact CD1-O 3.48Å; E379-V384 HydrophobicContact CB-CG1 4.45Å; E379-V384 HydrophobicContact CG-CB 3.64Å; E379-V384 HydrophobicContact CG-CG1 3.65Å; E379-V384 HydrophobicContact CG-CG2 4.33Å; D381-V384 HydrophobicContact CB-CB 4.31Å; D381-V384 HydrophobicContact CB-CG2 3.93Å; D381-V384 PolarHBondContact O-N 3.21Å; V384-T386 VanDerWaalsContact C-N 3.28Å; V384-T386 PolarHBondContact O-N 3.47Å; V384-R387 PolarHBondContact O-N 2.81Å; V384-A388 PolarHBondContact O-N 3.19Å |
| 385 | R | 95.8 | Very high | 95 | Very high | 44 Ų | 44 | 37 Ų | 37 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 173.5 | -61.8 | -174.2 | -165.1 | 153.4 | -6.3 | 112.1 | L376 E379 D381 V382 A388 V389 Y411 D416 I419 | L376-R385 HydrophobicContact CD1-CB 4.37Å; L376-R385 WeakPolarHBondContact O-CD 3.21Å; L376-R385 WeakPolarHBondContact O-CG 3.46Å; E379-R385 HydrophobicContact CB-CG 4.14Å; E379-R385 PolarHBondContact O-NE 2.88Å; E379-R385 PolarHBondContact O-NH2 3.07Å; D381-R385 PolarHBondContact O-N 3.09Å; D381-R385 VanDerWaalsContact O-N 3.14Å; V382-R385 PolarHBondContact O-N 3.39Å; R385-A388 WeakPolarHBondContact O-CB 3.24Å; R385-A388 PolarHBondContact O-N 3.27Å; R385-A388 VanDerWaalsContact O-N 3.16Å; R385-V389 PolarHBondContact O-N 2.83Å; R385-Y411 WeakPolarHBondContact CD-OH 3.44Å; R385-Y411 PolarHBondContact NH1-OH 3.31Å; R385-D416 IonicContact NH1-OD2 3.04Å; R385-D416 PolarHBondContact NH1-OD2 3.41Å; R385-I419 HydrophobicContact CB-CD1 4.18Å |
| 386 | T | 94.7 | Very high | 95.1 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 176 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | V382 S383 V384 A388 V389 D390 | V382-T386 WeakPolarHBondContact O-CB 3.22Å; V382-T386 PolarHBondContact O-N 3.13Å; V382-T386 PolarHBondContact O-OG1 3.37Å; S383-T386 PolarHBondContact O-N 3Å; V384-T386 VanDerWaalsContact C-N 3.28Å; V384-T386 PolarHBondContact O-N 3.47Å; T386-A388 VanDerWaalsContact C-N 3.32Å; T386-A388 PolarHBondContact O-N 2.79Å; T386-V389 WeakPolarHBondContact O-CB 3.27Å; T386-V389 PolarHBondContact O-N 2.72Å; T386-D390 PolarHBondContact O-N 2.69Å |
| 387 | R | 96.2 | Very high | 94.9 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -31.6 | 173.6 | -68.2 | -57.7 | -173 | -143.8 | 9 | 113.8 | Y346 L349 E350 S383 V384 D390 L391 | Y346-R387 HydrophobicContact CD2-CG 3.91Å; Y346-R387 HydrophobicContact CE2-CG 3.48Å; Y346-R387 VanDerWaalsContact CE2-CG 3.48Å; Y346-R387 PolarHBondContact OH-NE 2.84Å; Y346-R387 VanDerWaalsContact OH-NE 3.15Å; Y346-R387 PolarHBondContact OH-NH2 3.38Å; L349-R387 HydrophobicContact CB-CB 3.73Å; L349-R387 HydrophobicContact CD1-CB 4.08Å; E350-R387 IonicContact OE1-CZ 3.3Å; E350-R387 IonicContact OE1-NE 2.79Å; E350-R387 IonicContact OE1-NH2 3.02Å; E350-R387 PolarHBondContact OE1-NH2 3.14Å; S383-R387 PolarHBondContact O-N 3.35Å; S383-R387 VanDerWaalsContact O-N 3.09Å; V384-R387 PolarHBondContact O-N 2.81Å; R387-D390 WeakPolarHBondContact CD-OD2 3.41Å; R387-D390 IonicContact CZ-OD2 3.47Å; R387-D390 IonicContact NH1-OD2 3.25Å; R387-D390 PolarHBondContact NH1-OD2 2.89Å; R387-D390 WeakPolarHBondContact O-CB 3.5Å; R387-D390 PolarHBondContact O-N 2.69Å; R387-L391 WeakPolarHBondContact O-CB 3.13Å; R387-L391 PolarHBondContact O-N 3.24Å |
| 388 | A | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L349 I372 L376 V384 R385 T386 L391 L392 | L349-A388 HydrophobicContact CD1-CB 4.28Å; L349-A388 HydrophobicContact CD2-CB 4.42Å; I372-A388 HydrophobicContact CG2-CB 4.28Å; L376-A388 HydrophobicContact CB-CB 4.07Å; V384-A388 PolarHBondContact O-N 3.19Å; R385-A388 WeakPolarHBondContact O-CB 3.24Å; R385-A388 PolarHBondContact O-N 3.27Å; R385-A388 VanDerWaalsContact O-N 3.16Å; T386-A388 VanDerWaalsContact C-N 3.32Å; T386-A388 PolarHBondContact O-N 2.79Å; A388-L391 PolarHBondContact O-N 3.08Å; A388-L392 WeakPolarHBondContact O-CB 3.23Å; A388-L392 VanDerWaalsContact O-CG 3.28Å; A388-L392 WeakPolarHBondContact O-CG 3.25Å; A388-L392 PolarHBondContact O-N 2.92Å |
| 389 | V | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 172.1 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | L376 R385 T386 L391 L392 Y393 M408 I419 M423 K426 | L376-V389 HydrophobicContact CD1-CG2 3.45Å; L376-V389 VanDerWaalsContact CD1-CG2 3.45Å; R385-V389 PolarHBondContact O-N 2.83Å; T386-V389 WeakPolarHBondContact O-CB 3.27Å; T386-V389 PolarHBondContact O-N 2.72Å; V389-L391 VanDerWaalsContact C-N 3.31Å; V389-L391 PolarHBondContact O-N 3.48Å; V389-L392 PolarHBondContact O-N 3.03Å; V389-Y393 WeakPolarHBondContact O-CB 3.45Å; V389-Y393 PolarHBondContact O-N 2.93Å; V389-M408 HydrophobicContact CG1-CE 3.9Å; V389-I419 HydrophobicContact CG2-CD1 3.76Å; V389-I419 HydrophobicContact CG2-CG1 4.39Å; V389-M423 HydrophobicContact CG1-CB 4.48Å; V389-M423 HydrophobicContact CG1-CG 4.12Å; V389-M423 HydrophobicContact CG2-CG 4.3Å; V389-M423 HydrophobicContact CG2-SD 3.7Å; V389-K426 HydrophobicContact CG1-CD 3.6Å |
| 390 | D | 96.2 | Very high | 95.1 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 14% | 0.139 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.5 | -46.7 | 175.3 | -67.7 | -22.1 | 0 | 0 | 0 | 111.5 | T386 R387 Y393 A394 K426 | T386-D390 PolarHBondContact O-N 2.69Å; R387-D390 WeakPolarHBondContact CD-OD2 3.41Å; R387-D390 IonicContact CZ-OD2 3.47Å; R387-D390 IonicContact NH1-OD2 3.25Å; R387-D390 PolarHBondContact NH1-OD2 2.89Å; R387-D390 WeakPolarHBondContact O-CB 3.5Å; R387-D390 PolarHBondContact O-N 2.69Å; D390-Y393 WeakPolarHBondContact O-CB 3.25Å; D390-Y393 PolarHBondContact O-N 2.69Å; D390-A394 WeakPolarHBondContact O-CB 3.25Å; D390-A394 PolarHBondContact O-N 3.33Å; D390-K426 IonicContact OD1-NZ 3.33Å; D390-K426 PolarHBondContact OD1-NZ 3.46Å |
| 391 | L | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.9 | -44.1 | -178.3 | -177.3 | 53.5 | 0 | 0 | 0 | 112.2 | L349 M352 C353 A356 V365 I372 R387 A388 V389 Y393 A394 M395 | L349-L391 HydrophobicContact CD2-CD2 3.71Å; M352-L391 HydrophobicContact CB-CD1 3.84Å; M352-L391 HydrophobicContact CB-CD2 3.63Å; M352-L391 HydrophobicContact CB-CG 4.41Å; M352-L391 HydrophobicContact CG-CD2 4.43Å; M352-L391 HydrophobicContact SD-CD2 3.88Å; C353-L391 VanDerWaalsContact SG-CA 3.59Å; C353-L391 PolarHBondContact SG-N 3.12Å; A356-L391 HydrophobicContact CB-CD1 4.18Å; V365-L391 HydrophobicContact CG1-CD1 3.96Å; I372-L391 HydrophobicContact CD1-CD2 3.41Å; I372-L391 VanDerWaalsContact CD1-CD2 3.41Å; I372-L391 HydrophobicContact CD1-CG 3.88Å; I372-L391 HydrophobicContact CG1-CD2 3.73Å; I372-L391 HydrophobicContact CG1-CG 4.5Å; I372-L391 HydrophobicContact CG2-CB 4.36Å; I372-L391 HydrophobicContact CG2-CD2 4.12Å; I372-L391 HydrophobicContact CG2-CG 4.31Å; R387-L391 WeakPolarHBondContact O-CB 3.13Å; R387-L391 PolarHBondContact O-N 3.24Å; A388-L391 PolarHBondContact O-N 3.08Å; V389-L391 VanDerWaalsContact C-N 3.31Å; V389-L391 PolarHBondContact O-N 3.48Å; L391-Y393 PolarHBondContact O-N 3.08Å; L391-A394 PolarHBondContact O-N 3.46Å; L391-A394 VanDerWaalsContact O-N 3.13Å; L391-M395 HydrophobicContact CG-SD 4.29Å; L391-M395 WeakPolarHBondContact O-CB 3.44Å; L391-M395 WeakPolarHBondContact O-CG 3.42Å; L391-M395 PolarHBondContact O-N 2.88Å |
| 392 | L | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.1 | -41.5 | 174.5 | -75.1 | 173.5 | 0 | 0 | 0 | 111.2 | L369 I372 I373 L376 A388 V389 M395 C396 V404 M408 | L369-L392 HydrophobicContact CD1-CD2 3.49Å; L369-L392 VanDerWaalsContact CD1-CD2 3.49Å; I372-L392 HydrophobicContact CG2-CD2 3.91Å; I372-L392 HydrophobicContact CG2-CG 3.83Å; I373-L392 HydrophobicContact CG1-CD2 4.2Å; L376-L392 HydrophobicContact CD2-CD1 3.71Å; A388-L392 WeakPolarHBondContact O-CB 3.23Å; A388-L392 VanDerWaalsContact O-CG 3.28Å; A388-L392 WeakPolarHBondContact O-CG 3.25Å; A388-L392 PolarHBondContact O-N 2.92Å; V389-L392 PolarHBondContact O-N 3.03Å; L392-M395 HydrophobicContact CD2-SD 4.12Å; L392-C396 VanDerWaalsContact O-CB 3.24Å; L392-C396 WeakPolarHBondContact O-CB 3.47Å; L392-C396 PolarHBondContact O-N 3.42Å; L392-V404 HydrophobicContact CB-CG1 4.02Å; L392-V404 HydrophobicContact CD2-CG1 4.4Å; L392-M408 HydrophobicContact CB-SD 4.43Å; L392-M408 HydrophobicContact CD1-CG 4.22Å |
| 393 | Y | 96.2 | Very high | 95.6 | Very high | 43 Ų | 43 | 34.6 Ų | 34.6 | 17% | 0.169 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -46.5 | 174.3 | 175 | -94.3 | 0 | 0 | 0 | 112.3 | V389 D390 L391 C396 K426 V429 L430 L615 | V389-Y393 WeakPolarHBondContact O-CB 3.45Å; V389-Y393 PolarHBondContact O-N 2.93Å; D390-Y393 WeakPolarHBondContact O-CB 3.25Å; D390-Y393 PolarHBondContact O-N 2.69Å; L391-Y393 PolarHBondContact O-N 3.08Å; Y393-C396 PolarHBondContact O-N 2.95Å; Y393-K426 HydrophobicContact CD2-CB 3.77Å; Y393-K426 HydrophobicContact CD2-CD 4.28Å; Y393-K426 HydrophobicContact CD2-CG 3.7Å; Y393-K426 HydrophobicContact CE2-CB 4.44Å; Y393-K426 HydrophobicContact CE2-CG 4.28Å; Y393-K426 HydrophobicContact CG-CB 4.39Å; Y393-K426 HydrophobicContact CG-CD 4.08Å; Y393-K426 HydrophobicContact CG-CG 3.98Å; Y393-V429 HydrophobicContact CE2-CB 4.36Å; Y393-V429 HydrophobicContact CE2-CG1 4.02Å; Y393-L430 HydrophobicContact CD2-CD1 4.1Å; Y393-L430 HydrophobicContact CD2-CD2 3.64Å; Y393-L430 HydrophobicContact CD2-CG 3.75Å; Y393-L430 HydrophobicContact CE2-CD2 3.76Å; Y393-L430 HydrophobicContact CE2-CG 4.06Å; Y393-L615 HydrophobicContact CE1-CD2 4.3Å; Y393-L615 WeakPolarHBondContact OH-CD2 3.47Å |
| 394 | A | 94.9 | Very high | 95.7 | Very high | 32 Ų | 32 | 31.9 Ų | 31.9 | 26% | 0.264 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68.4 | -35.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A356 D390 L391 C396 | A356-A394 HydrophobicContact CB-CB 3.91Å; D390-A394 WeakPolarHBondContact O-CB 3.25Å; D390-A394 PolarHBondContact O-N 3.33Å; L391-A394 PolarHBondContact O-N 3.46Å; L391-A394 VanDerWaalsContact O-N 3.13Å; A394-C396 VanDerWaalsContact C-N 3.34Å |
| 395 | M | 94.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.1 | -179.8 | 75.7 | -170.6 | -69.4 | 0 | 0 | 113.9 | A356 V365 K366 L369 I372 L391 L392 N400 | A356-M395 HydrophobicContact CB-CB 4.46Å; V365-M395 HydrophobicContact CG1-CB 4.18Å; V365-M395 HydrophobicContact CG1-CE 4.4Å; K366-M395 VanDerWaalsContact CA-CE 3.5Å; K366-M395 HydrophobicContact CB-CE 4.34Å; K366-M395 HydrophobicContact CG-CE 4.11Å; L369-M395 HydrophobicContact CB-CE 3.95Å; L369-M395 HydrophobicContact CD1-CE 3.95Å; L369-M395 HydrophobicContact CD1-SD 4.11Å; I372-M395 HydrophobicContact CD1-CE 3.98Å; I372-M395 HydrophobicContact CD1-SD 3.62Å; L391-M395 HydrophobicContact CG-SD 4.29Å; L391-M395 WeakPolarHBondContact O-CB 3.44Å; L391-M395 WeakPolarHBondContact O-CG 3.42Å; L391-M395 PolarHBondContact O-N 2.88Å; L392-M395 HydrophobicContact CD2-SD 4.12Å; M395-N400 PolarHBondContact O-ND2 3.33Å |
| 396 | C | 96 | Very high | 95.8 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | trans | -78.5 | 130.5 | -176.4 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | L392 Y393 A394 N400 A401 V404 L430 Y434 | L392-C396 VanDerWaalsContact O-CB 3.24Å; L392-C396 WeakPolarHBondContact O-CB 3.47Å; L392-C396 PolarHBondContact O-N 3.42Å; Y393-C396 PolarHBondContact O-N 2.95Å; A394-C396 VanDerWaalsContact C-N 3.34Å; C396-N400 WeakPolarHBondContact CA-OD1 3.19Å; C396-A401 VanDerWaalsContact SG-CA 3.54Å; C396-V404 HydrophobicContact CB-CG1 4.26Å; C396-L430 HydrophobicContact CB-CD1 4.13Å; C396-L430 HydrophobicContact CB-CD2 3.72Å; C396-Y434 HydrophobicContact CB-CE2 4.2Å; C396-Y434 WeakPolarHBondContact O-CE2 3.46Å; C396-Y434 PolarHBondContact O-OH 2.73Å | ||
| 397 | D | 93.6 | Very high | 95.9 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 16% | 0.155 | 19% | 0.185 | C | C | . | . | trans | -140.8 | -174.4 | 176.5 | 70.7 | 16.2 | 0 | 0 | 0 | 111.3 | H362 K366 S399 N400 A401 | H362-D397 IonicContact NE2-OD2 3.87Å; K366-D397 IonicContact NZ-OD2 2.93Å; K366-D397 PolarHBondContact NZ-OD2 2.96Å; D397-S399 PolarHBondContact O-N 2.8Å; D397-S399 VanDerWaalsContact O-N 3.12Å; D397-S399 WeakPolarHBondContact OD1-CA 3.42Å; D397-S399 VanDerWaalsContact OD1-CB 3.28Å; D397-S399 WeakPolarHBondContact OD1-CB 3.04Å; D397-S399 PolarHBondContact OD1-N 3.34Å; D397-S399 PolarHBondContact OD1-OG 3.45Å; D397-S399 PolarHBondContact OD2-OG 3.06Å; D397-N400 PolarHBondContact N-OD1 3.3Å; D397-N400 PolarHBondContact O-N 3.28Å; D397-N400 PolarHBondContact O-OD1 3.09Å; D397-N400 PolarHBondContact OD1-N 3.45Å; D397-N400 PolarHBondContact OD1-OD1 2.86Å; D397-A401 VanDerWaalsContact O-CB 3.23Å; D397-A401 WeakPolarHBondContact O-CB 3.09Å; D397-A401 PolarHBondContact O-N 3.46Å | ||
| 398 | K | 92.6 | Very high | 95.9 | Very high | 149 Ų | 149 | 33.6 Ų | 33.6 | 65% | 0.648 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.1 | 180 | -64.8 | -177 | 179 | -178.5 | 0 | 114.4 | Y434 K436 | K398-Y434 HydrophobicContact CG-CD1 3.86Å; K398-Y434 HydrophobicContact CG-CE1 4.49Å; K398-K436 VanDerWaalsContact O-CE 3.22Å; K398-K436 WeakPolarHBondContact O-CE 3.41Å; K398-K436 PolarHBondContact O-NZ 3.33Å |
| 399 | S | 94.1 | Very high | 95.9 | Very high | 85 Ų | 85 | 33.9 Ų | 33.9 | 59% | 0.594 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -35.5 | -177.6 | 74.3 | 0 | 0 | 0 | 0 | 112.5 | K366 D397 | K366-S399 PolarHBondContact NZ-OG 2.86Å; D397-S399 PolarHBondContact O-N 2.8Å; D397-S399 VanDerWaalsContact O-N 3.12Å; D397-S399 WeakPolarHBondContact OD1-CA 3.42Å; D397-S399 VanDerWaalsContact OD1-CB 3.28Å; D397-S399 WeakPolarHBondContact OD1-CB 3.04Å; D397-S399 PolarHBondContact OD1-N 3.34Å; D397-S399 PolarHBondContact OD1-OG 3.45Å; D397-S399 PolarHBondContact OD2-OG 3.06Å |
| 400 | N | 95.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.064 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -2.2 | -174.8 | 66.6 | 8.5 | 0 | 0 | 0 | 114.8 | K366 M395 C396 D397 T402 E403 V404 | K366-N400 WeakPolarHBondContact CD-ND2 3.37Å; M395-N400 PolarHBondContact O-ND2 3.33Å; C396-N400 WeakPolarHBondContact CA-OD1 3.19Å; D397-N400 PolarHBondContact N-OD1 3.3Å; D397-N400 PolarHBondContact O-N 3.28Å; D397-N400 PolarHBondContact O-OD1 3.09Å; D397-N400 PolarHBondContact OD1-N 3.45Å; D397-N400 PolarHBondContact OD1-OD1 2.86Å; N400-T402 VanDerWaalsContact C-N 3.31Å; N400-T402 PolarHBondContact O-N 2.95Å; N400-E403 PolarHBondContact O-N 3.4Å; N400-E403 VanDerWaalsContact O-N 3.12Å; N400-V404 HydrophobicContact CB-CG2 4.33Å; N400-V404 WeakPolarHBondContact O-CG2 3.46Å; N400-V404 PolarHBondContact O-N 2.95Å |
| 401 | A | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.3 | -42.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C396 D397 E403 V404 V405 Y434 | C396-A401 VanDerWaalsContact SG-CA 3.54Å; D397-A401 VanDerWaalsContact O-CB 3.23Å; D397-A401 WeakPolarHBondContact O-CB 3.09Å; D397-A401 PolarHBondContact O-N 3.46Å; A401-E403 PolarHBondContact O-N 3.08Å; A401-V404 PolarHBondContact O-N 2.89Å; A401-V405 VanDerWaalsContact O-CB 3.25Å; A401-V405 WeakPolarHBondContact O-CB 3.07Å; A401-V405 VanDerWaalsContact O-CG2 3.27Å; A401-V405 WeakPolarHBondContact O-CG2 3.29Å; A401-V405 PolarHBondContact O-N 3.45Å; A401-Y434 HydrophobicContact CB-CD2 4.19Å; A401-Y434 HydrophobicContact CB-CG 4.16Å |
| 402 | T | 95.7 | Very high | 95.5 | Very high | 71 Ų | 71 | 34.1 Ų | 34.1 | 44% | 0.436 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.6 | -47.1 | 179.7 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | N400 Q406 | N400-T402 VanDerWaalsContact C-N 3.31Å; N400-T402 PolarHBondContact O-N 2.95Å; T402-Q406 WeakPolarHBondContact O-CB 3.28Å; T402-Q406 PolarHBondContact O-N 2.66Å; T402-Q406 VanDerWaalsContact O-N 3.08Å |
| 403 | E | 96.4 | Very high | 95.2 | Very high | 89 Ų | 89 | 39.6 Ų | 39.6 | 42% | 0.416 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.5 | -49.9 | 179.6 | -179 | 176.1 | -159.5 | 0 | 0 | 111.3 | L369 N400 A401 V405 Q406 E407 | L369-E403 HydrophobicContact CD2-CG 4.32Å; L369-E403 WeakPolarHBondContact CD2-OE2 3.33Å; N400-E403 PolarHBondContact O-N 3.4Å; N400-E403 VanDerWaalsContact O-N 3.12Å; A401-E403 PolarHBondContact O-N 3.08Å; E403-V405 PolarHBondContact O-N 3.27Å; E403-Q406 PolarHBondContact O-N 3.2Å; E403-E407 WeakPolarHBondContact O-CB 3.28Å; E403-E407 VanDerWaalsContact O-CG 3.25Å; E403-E407 WeakPolarHBondContact O-CG 3.36Å; E403-E407 PolarHBondContact O-N 3.23Å |
| 404 | V | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.2 | -49.5 | -179.1 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L369 L392 C396 N400 A401 Q406 E407 M408 L430 | L369-V404 HydrophobicContact CD1-CG2 4.04Å; L392-V404 HydrophobicContact CB-CG1 4.02Å; L392-V404 HydrophobicContact CD2-CG1 4.4Å; C396-V404 HydrophobicContact CB-CG1 4.26Å; N400-V404 HydrophobicContact CB-CG2 4.33Å; N400-V404 WeakPolarHBondContact O-CG2 3.46Å; N400-V404 PolarHBondContact O-N 2.95Å; A401-V404 PolarHBondContact O-N 2.89Å; V404-Q406 PolarHBondContact O-N 3.24Å; V404-E407 PolarHBondContact O-N 3.18Å; V404-M408 HydrophobicContact CG1-CG 4.45Å; V404-M408 HydrophobicContact CG1-SD 3.86Å; V404-M408 VanDerWaalsContact O-CG 3.25Å; V404-M408 WeakPolarHBondContact O-CG 3.45Å; V404-M408 PolarHBondContact O-N 3.39Å; V404-L430 HydrophobicContact CG1-CD1 4.24Å |
| 405 | V | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | -179.1 | 167.3 | 0 | 0 | 0 | 0 | 111.3 | A401 E403 E407 M408 L409 V427 L430 W440 I444 | A401-V405 VanDerWaalsContact O-CB 3.25Å; A401-V405 WeakPolarHBondContact O-CB 3.07Å; A401-V405 VanDerWaalsContact O-CG2 3.27Å; A401-V405 WeakPolarHBondContact O-CG2 3.29Å; A401-V405 PolarHBondContact O-N 3.45Å; E403-V405 PolarHBondContact O-N 3.27Å; V405-E407 PolarHBondContact O-N 3.06Å; V405-M408 PolarHBondContact O-N 3.16Å; V405-L409 HydrophobicContact CG1-CD1 4.13Å; V405-L409 HydrophobicContact CG1-CG 4.49Å; V405-L409 WeakPolarHBondContact O-CB 3.33Å; V405-L409 WeakPolarHBondContact O-CG 3.48Å; V405-L409 PolarHBondContact O-N 2.68Å; V405-V427 HydrophobicContact CG1-CG1 4.1Å; V405-L430 HydrophobicContact CG2-CB 3.86Å; V405-L430 HydrophobicContact CG2-CD1 4.31Å; V405-W440 HydrophobicContact CB-CH2 4.46Å; V405-W440 HydrophobicContact CB-CZ2 4.13Å; V405-W440 HydrophobicContact CG1-CZ2 4.17Å; V405-W440 HydrophobicContact CG2-CH2 4.18Å; V405-W440 HydrophobicContact CG2-CZ2 4.34Å; V405-I444 HydrophobicContact CG1-CD1 3.66Å; V405-I444 HydrophobicContact CG1-CG1 3.98Å; V405-I444 HydrophobicContact CG1-CG2 3.69Å |
| 406 | Q | 96.1 | Very high | 94.2 | Very high | 122 Ų | 122 | 45.9 Ų | 45.9 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.4 | -43.5 | 177.9 | -178.8 | 174.9 | -6 | 0 | 0 | 111.6 | T402 E403 V404 L409 A410 | T402-Q406 WeakPolarHBondContact O-CB 3.28Å; T402-Q406 PolarHBondContact O-N 2.66Å; T402-Q406 VanDerWaalsContact O-N 3.08Å; E403-Q406 PolarHBondContact O-N 3.2Å; V404-Q406 PolarHBondContact O-N 3.24Å; Q406-L409 PolarHBondContact O-N 3.16Å; Q406-A410 WeakPolarHBondContact O-CB 3.44Å; Q406-A410 PolarHBondContact O-N 3.1Å |
| 407 | E | 96.6 | Very high | 93.8 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 20% | 0.201 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 179.2 | -71.7 | -70.3 | 103.6 | 0 | 0 | 112.2 | I373 K377 E403 V404 V405 A410 Y411 | I373-E407 HydrophobicContact CD1-CB 4.37Å; I373-E407 HydrophobicContact CD1-CG 3.89Å; I373-E407 HydrophobicContact CG1-CB 4.42Å; I373-E407 HydrophobicContact CG1-CG 4.43Å; I373-E407 WeakPolarHBondContact CG2-OE2 3.18Å; K377-E407 WeakPolarHBondContact CE-OE2 3.44Å; K377-E407 IonicContact NZ-OE1 2.68Å; K377-E407 PolarHBondContact NZ-OE1 2.84Å; K377-E407 IonicContact NZ-OE2 3.38Å; K377-E407 PolarHBondContact NZ-OE2 2.77Å; E403-E407 WeakPolarHBondContact O-CB 3.28Å; E403-E407 VanDerWaalsContact O-CG 3.25Å; E403-E407 WeakPolarHBondContact O-CG 3.36Å; E403-E407 PolarHBondContact O-N 3.23Å; V404-E407 PolarHBondContact O-N 3.18Å; V405-E407 PolarHBondContact O-N 3.06Å; E407-A410 PolarHBondContact O-N 3.11Å; E407-Y411 PolarHBondContact O-N 3.13Å |
| 408 | M | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 173 | -69.7 | 176.9 | 76.7 | 0 | 0 | 111.7 | V389 L392 V404 V405 A410 Y411 L412 M423 K426 V427 L430 | V389-M408 HydrophobicContact CG1-CE 3.9Å; L392-M408 HydrophobicContact CB-SD 4.43Å; L392-M408 HydrophobicContact CD1-CG 4.22Å; V404-M408 HydrophobicContact CG1-CG 4.45Å; V404-M408 HydrophobicContact CG1-SD 3.86Å; V404-M408 VanDerWaalsContact O-CG 3.25Å; V404-M408 WeakPolarHBondContact O-CG 3.45Å; V404-M408 PolarHBondContact O-N 3.39Å; V405-M408 PolarHBondContact O-N 3.16Å; M408-A410 VanDerWaalsContact C-N 3.35Å; M408-A410 PolarHBondContact O-N 3.48Å; M408-Y411 PolarHBondContact O-N 3.29Å; M408-L412 WeakPolarHBondContact O-CB 3.38Å; M408-L412 PolarHBondContact O-N 3.39Å; M408-M423 HydrophobicContact CB-SD 4.35Å; M408-M423 HydrophobicContact CE-CG 3.54Å; M408-M423 HydrophobicContact CE-SD 4.28Å; M408-M423 WeakPolarHBondContact O-CE 3.49Å; M408-K426 HydrophobicContact CE-CB 4.1Å; M408-V427 HydrophobicContact CB-CG2 3.77Å; M408-V427 HydrophobicContact CE-CG2 3.85Å; M408-V427 HydrophobicContact SD-CG2 4.23Å; M408-L430 HydrophobicContact SD-CD1 3.99Å |
| 409 | L | 95.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 176.4 | -78.9 | 175.6 | 0 | 0 | 0 | 112.6 | V405 Q406 L412 V427 I444 L448 | V405-L409 HydrophobicContact CG1-CD1 4.13Å; V405-L409 HydrophobicContact CG1-CG 4.49Å; V405-L409 WeakPolarHBondContact O-CB 3.33Å; V405-L409 WeakPolarHBondContact O-CG 3.48Å; V405-L409 PolarHBondContact O-N 2.68Å; Q406-L409 PolarHBondContact O-N 3.16Å; L409-L412 HydrophobicContact CD2-CD2 4.24Å; L409-L412 WeakPolarHBondContact O-CB 3.47Å; L409-L412 PolarHBondContact O-N 3.41Å; L409-V427 HydrophobicContact CD2-CG1 4.08Å; L409-V427 HydrophobicContact CG-CG1 4.19Å; L409-I444 HydrophobicContact CD1-CD1 3.72Å; L409-I444 HydrophobicContact CD1-CG2 4.23Å; L409-L448 HydrophobicContact CD2-CB 4.25Å; L409-L448 HydrophobicContact CD2-CD1 3.72Å |
| 410 | A | 94.6 | Very high | 92.9 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q406 E407 M408 L412 Y414 | Q406-A410 WeakPolarHBondContact O-CB 3.44Å; Q406-A410 PolarHBondContact O-N 3.1Å; E407-A410 PolarHBondContact O-N 3.11Å; M408-A410 VanDerWaalsContact C-N 3.35Å; M408-A410 PolarHBondContact O-N 3.48Å; A410-L412 VanDerWaalsContact C-N 3.34Å; A410-L412 PolarHBondContact O-N 2.88Å; A410-Y414 WeakPolarHBondContact O-CE1 3.28Å |
| 411 | Y | 94.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | 176.5 | 177.1 | -110.1 | 0 | 0 | 0 | 112.9 | L376 K377 R385 E407 M408 Q413 Y414 A415 I419 M423 | L376-Y411 HydrophobicContact CD1-CD1 3.5Å; L376-Y411 HydrophobicContact CD1-CE1 3.57Å; L376-Y411 HydrophobicContact CD1-CG 4.08Å; L376-Y411 HydrophobicContact CD2-CD1 3.99Å; L376-Y411 HydrophobicContact CD2-CG 4.02Å; L376-Y411 HydrophobicContact CG-CD1 3.73Å; L376-Y411 HydrophobicContact CG-CD2 4.23Å; L376-Y411 HydrophobicContact CG-CE1 4.19Å; L376-Y411 HydrophobicContact CG-CG 3.78Å; L376-Y411 WeakPolarHBondContact O-CE2 3.48Å; K377-Y411 HydrophobicContact CG-CD2 4.35Å; R385-Y411 WeakPolarHBondContact CD-OH 3.44Å; R385-Y411 PolarHBondContact NH1-OH 3.31Å; E407-Y411 PolarHBondContact O-N 3.13Å; M408-Y411 PolarHBondContact O-N 3.29Å; Y411-Q413 PolarHBondContact O-N 3.38Å; Y411-Q413 VanDerWaalsContact O-N 3.08Å; Y411-Y414 HydrophobicContact CD2-CD2 4.05Å; Y411-Y414 AromaticContact CD2-CE2 3.37Å; Y411-Y414 HydrophobicContact CD2-CE2 3.37Å; Y411-Y414 AromaticContact CD2-CZ 3.86Å; Y411-Y414 HydrophobicContact CE2-CD2 4.15Å; Y411-Y414 AromaticContact CE2-CE2 3.78Å; Y411-Y414 HydrophobicContact CE2-CE2 3.78Å; Y411-Y414 HydrophobicContact CG-CE2 4.41Å; Y411-Y414 PolarHBondContact O-N 3.43Å; Y411-Y414 VanDerWaalsContact O-N 3.14Å; Y411-A415 HydrophobicContact CD1-CB 3.99Å; Y411-A415 HydrophobicContact CE1-CB 3.53Å; Y411-A415 PolarHBondContact O-N 3.11Å; Y411-I419 HydrophobicContact CE1-CD1 4.37Å; Y411-I419 HydrophobicContact CE1-CG2 4.38Å; Y411-M423 HydrophobicContact CD1-CE 3.73Å; Y411-M423 HydrophobicContact CD1-SD 3.78Å; Y411-M423 HydrophobicContact CE1-CE 4.47Å; Y411-M423 HydrophobicContact CE1-SD 4.35Å |
| 412 | L | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.3 | -32.8 | -175.3 | -167.6 | 57.1 | 0 | 0 | 0 | 113.4 | M408 L409 A410 Y414 A415 R420 M423 V424 L448 V451 A452 | M408-L412 WeakPolarHBondContact O-CB 3.38Å; M408-L412 PolarHBondContact O-N 3.39Å; L409-L412 HydrophobicContact CD2-CD2 4.24Å; L409-L412 WeakPolarHBondContact O-CB 3.47Å; L409-L412 PolarHBondContact O-N 3.41Å; A410-L412 VanDerWaalsContact C-N 3.34Å; A410-L412 PolarHBondContact O-N 2.88Å; L412-Y414 PolarHBondContact O-N 3.22Å; L412-A415 PolarHBondContact O-N 3.18Å; L412-R420 HydrophobicContact CD1-CB 4.15Å; L412-R420 HydrophobicContact CD1-CG 3.89Å; L412-M423 HydrophobicContact CB-CE 3.3Å; L412-M423 HydrophobicContact CD1-CB 4.36Å; L412-M423 HydrophobicContact CD1-CE 3.34Å; L412-M423 HydrophobicContact CD2-CE 4.45Å; L412-M423 HydrophobicContact CG-CE 3.81Å; L412-V424 HydrophobicContact CD1-CG2 4.23Å; L412-V424 HydrophobicContact CD2-CG2 4.07Å; L412-L448 HydrophobicContact CD2-CD1 3.59Å; L412-V451 HydrophobicContact CB-CG1 4.05Å; L412-V451 HydrophobicContact CD2-CG1 4.1Å; L412-V451 HydrophobicContact CG-CG1 3.9Å; L412-A452 HydrophobicContact CD2-CB 3.87Å; L412-A452 HydrophobicContact CG-CB 4.36Å |
| 413 | Q | 91.1 | Very high | 92.1 | Very high | 115 Ų | 115 | 51 Ų | 51 | 54% | 0.537 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.3 | -177.8 | -66.5 | 177.5 | 55.3 | 0 | 0 | 113.1 | Y411 R420 V451 | Y411-Q413 PolarHBondContact O-N 3.38Å; Y411-Q413 VanDerWaalsContact O-N 3.08Å; Q413-R420 PolarHBondContact O-NH2 3.25Å; Q413-V451 HydrophobicContact CB-CG1 4.36Å; Q413-V451 HydrophobicContact CG-CG1 3.68Å; Q413-V451 HydrophobicContact CG-CG2 4.05Å |
| 414 | Y | 88.8 | Confident | 92 | Very high | 131 Ų | 131 | 47 Ų | 47 | 51% | 0.514 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 11.1 | -178 | 53.2 | -92.1 | 0 | 0 | 0 | 112.8 | A410 Y411 L412 | A410-Y414 WeakPolarHBondContact O-CE1 3.28Å; Y411-Y414 HydrophobicContact CD2-CD2 4.05Å; Y411-Y414 AromaticContact CD2-CE2 3.37Å; Y411-Y414 HydrophobicContact CD2-CE2 3.37Å; Y411-Y414 AromaticContact CD2-CZ 3.86Å; Y411-Y414 HydrophobicContact CE2-CD2 4.15Å; Y411-Y414 AromaticContact CE2-CE2 3.78Å; Y411-Y414 HydrophobicContact CE2-CE2 3.78Å; Y411-Y414 HydrophobicContact CG-CE2 4.41Å; Y411-Y414 PolarHBondContact O-N 3.43Å; Y411-Y414 VanDerWaalsContact O-N 3.14Å; L412-Y414 PolarHBondContact O-N 3.22Å |
| 415 | A | 89.1 | Confident | 91.7 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | trans | -68.8 | 150 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y411 L412 I419 R420 | Y411-A415 HydrophobicContact CD1-CB 3.99Å; Y411-A415 HydrophobicContact CE1-CB 3.53Å; Y411-A415 PolarHBondContact O-N 3.11Å; L412-A415 PolarHBondContact O-N 3.18Å; A415-I419 HydrophobicContact CB-CG2 3.85Å; A415-R420 HydrophobicContact CB-CG 4.21Å; A415-R420 PolarHBondContact O-NE 3.26Å; A415-R420 PolarHBondContact O-NH2 3.39Å; A415-R420 VanDerWaalsContact O-NH2 3.08Å | ||
| 416 | D | 86.9 | Confident | 91.6 | Very high | 71 Ų | 71 | 48 Ų | 48 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | trans | -65.6 | 148 | 175.6 | -59 | -64.9 | 0 | 0 | 0 | 111.4 | R385 S418 I419 R420 | R385-D416 IonicContact NH1-OD2 3.04Å; R385-D416 PolarHBondContact NH1-OD2 3.41Å; D416-S418 PolarHBondContact O-N 3.3Å; D416-S418 VanDerWaalsContact O-N 3.08Å; D416-I419 HydrophobicContact CB-CG2 4.46Å; D416-I419 WeakPolarHBondContact O-CG2 3.02Å; D416-I419 PolarHBondContact O-N 3.5Å; D416-I419 VanDerWaalsContact O-N 3.11Å; D416-R420 WeakPolarHBondContact O-CG 3.07Å; D416-R420 PolarHBondContact O-N 3.01Å | ||
| 417 | Y | 86 | Confident | 91.6 | Very high | 160 Ų | 160 | 42.2 Ų | 42.2 | 63% | 0.627 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -55.6 | -32.5 | -178.3 | -66.7 | -65.1 | 0 | 0 | 0 | 113.8 | I419 F455 | Y417-I419 VanDerWaalsContact C-N 3.29Å; Y417-I419 PolarHBondContact O-N 3.3Å; Y417-F455 AromaticContact CD1-CE2 3.78Å; Y417-F455 HydrophobicContact CD1-CE2 3.78Å; Y417-F455 AromaticContact CD1-CZ 3.53Å; Y417-F455 HydrophobicContact CD1-CZ 3.53Å; Y417-F455 HydrophobicContact CE1-CE2 4.29Å; Y417-F455 HydrophobicContact CE1-CZ 4.33Å; Y417-F455 HydrophobicContact CG-CZ 4.37Å |
| 418 | S | 83.9 | Confident | 91.4 | Very high | 92 Ų | 92 | 40.2 Ų | 40.2 | 64% | 0.643 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -66.8 | -24.8 | -178.8 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | D416 | D416-S418 PolarHBondContact O-N 3.3Å; D416-S418 VanDerWaalsContact O-N 3.08Å |
| 419 | I | 87.6 | Confident | 91.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -100.4 | -21.1 | -178.5 | -167.7 | 169.1 | 0 | 0 | 0 | 112.5 | R385 V389 Y411 A415 D416 Y417 E421 E422 M423 | R385-I419 HydrophobicContact CB-CD1 4.18Å; V389-I419 HydrophobicContact CG2-CD1 3.76Å; V389-I419 HydrophobicContact CG2-CG1 4.39Å; Y411-I419 HydrophobicContact CE1-CD1 4.37Å; Y411-I419 HydrophobicContact CE1-CG2 4.38Å; A415-I419 HydrophobicContact CB-CG2 3.85Å; D416-I419 HydrophobicContact CB-CG2 4.46Å; D416-I419 WeakPolarHBondContact O-CG2 3.02Å; D416-I419 PolarHBondContact O-N 3.5Å; D416-I419 VanDerWaalsContact O-N 3.11Å; Y417-I419 VanDerWaalsContact C-N 3.29Å; Y417-I419 PolarHBondContact O-N 3.3Å; I419-E421 PolarHBondContact O-N 3.18Å; I419-E422 PolarHBondContact O-N 3.49Å; I419-M423 WeakPolarHBondContact O-CB 3.46Å; I419-M423 PolarHBondContact O-N 3.32Å |
| 420 | R | 90.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 40 Ų | 40 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.7 | -49.2 | -174.8 | -74.2 | -177.4 | -176.5 | -152.5 | -6.2 | 113.1 | L412 Q413 A415 D416 E422 M423 V424 F455 | L412-R420 HydrophobicContact CD1-CB 4.15Å; L412-R420 HydrophobicContact CD1-CG 3.89Å; Q413-R420 PolarHBondContact O-NH2 3.25Å; A415-R420 HydrophobicContact CB-CG 4.21Å; A415-R420 PolarHBondContact O-NE 3.26Å; A415-R420 PolarHBondContact O-NH2 3.39Å; A415-R420 VanDerWaalsContact O-NH2 3.08Å; D416-R420 WeakPolarHBondContact O-CG 3.07Å; D416-R420 PolarHBondContact O-N 3.01Å; R420-E422 VanDerWaalsContact C-N 3.32Å; R420-E422 PolarHBondContact O-N 3.04Å; R420-M423 PolarHBondContact O-N 2.86Å; R420-V424 WeakPolarHBondContact O-CB 3.42Å; R420-V424 WeakPolarHBondContact O-CG2 3.45Å; R420-V424 PolarHBondContact O-N 3.05Å; R420-F455 HydrophobicContact CB-CD1 4.1Å; R420-F455 HydrophobicContact CB-CD2 3.73Å; R420-F455 HydrophobicContact CB-CE1 4.32Å; R420-F455 HydrophobicContact CB-CE2 3.99Å; R420-F455 HydrophobicContact CB-CG 3.82Å; R420-F455 HydrophobicContact CB-CZ 4.31Å; R420-F455 VanDerWaalsContact CD-CE2 3.44Å; R420-F455 HydrophobicContact CG-CD2 4.36Å; R420-F455 HydrophobicContact CG-CE2 4.36Å |
| 421 | E | 88.3 | Confident | 91.2 | Very high | 99 Ų | 99 | 38.6 Ų | 38.6 | 46% | 0.463 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.6 | -44.3 | -175.5 | -165 | -170.1 | 158.1 | 0 | 0 | 112.4 | I419 L425 F455 K618 | I419-E421 PolarHBondContact O-N 3.18Å; E421-L425 PolarHBondContact O-N 3.44Å; E421-F455 HydrophobicContact CB-CD1 3.91Å; E421-F455 HydrophobicContact CG-CD1 4.48Å; E421-K618 VanDerWaalsContact CD-NZ 3.31Å; E421-K618 IonicContact OE1-NZ 3.77Å; E421-K618 PolarHBondContact OE1-NZ 3.43Å |
| 422 | E | 88.2 | Confident | 91 | Very high | 67 Ų | 67 | 40.5 Ų | 40.5 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -71.2 | -40.2 | 179.2 | -174.6 | 174 | -175.5 | 0 | 0 | 111.7 | I419 R420 L425 K426 | I419-E422 PolarHBondContact O-N 3.49Å; R420-E422 VanDerWaalsContact C-N 3.32Å; R420-E422 PolarHBondContact O-N 3.04Å; E422-L425 PolarHBondContact O-N 3.02Å; E422-K426 HydrophobicContact CG-CD 4.31Å; E422-K426 WeakPolarHBondContact O-CG 3.4Å; E422-K426 PolarHBondContact O-N 2.88Å; E422-K426 WeakPolarHBondContact OE1-CE 3.46Å; E422-K426 IonicContact OE1-NZ 3.26Å; E422-K426 PolarHBondContact OE1-NZ 2.94Å |
| 423 | M | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.2 | -38.3 | 178.9 | -159.4 | 165.5 | 79.1 | 0 | 0 | 111.9 | V389 M408 Y411 L412 I419 R420 L425 K426 V427 | V389-M423 HydrophobicContact CG1-CB 4.48Å; V389-M423 HydrophobicContact CG1-CG 4.12Å; V389-M423 HydrophobicContact CG2-CG 4.3Å; V389-M423 HydrophobicContact CG2-SD 3.7Å; M408-M423 HydrophobicContact CB-SD 4.35Å; M408-M423 HydrophobicContact CE-CG 3.54Å; M408-M423 HydrophobicContact CE-SD 4.28Å; M408-M423 WeakPolarHBondContact O-CE 3.49Å; Y411-M423 HydrophobicContact CD1-CE 3.73Å; Y411-M423 HydrophobicContact CD1-SD 3.78Å; Y411-M423 HydrophobicContact CE1-CE 4.47Å; Y411-M423 HydrophobicContact CE1-SD 4.35Å; L412-M423 HydrophobicContact CB-CE 3.3Å; L412-M423 HydrophobicContact CD1-CB 4.36Å; L412-M423 HydrophobicContact CD1-CE 3.34Å; L412-M423 HydrophobicContact CD2-CE 4.45Å; L412-M423 HydrophobicContact CG-CE 3.81Å; I419-M423 WeakPolarHBondContact O-CB 3.46Å; I419-M423 PolarHBondContact O-N 3.32Å; R420-M423 PolarHBondContact O-N 2.86Å; M423-L425 PolarHBondContact O-N 3.07Å; M423-K426 PolarHBondContact O-N 3Å; M423-V427 HydrophobicContact CG-CG2 4.42Å; M423-V427 WeakPolarHBondContact O-CB 3.47Å; M423-V427 VanDerWaalsContact O-CG2 3.31Å; M423-V427 WeakPolarHBondContact O-CG2 3.45Å; M423-V427 PolarHBondContact O-N 3.25Å |
| 424 | V | 94.3 | Very high | 91 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 174.4 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | L412 R420 K426 V427 A428 L448 A452 F455 V456 | L412-V424 HydrophobicContact CD1-CG2 4.23Å; L412-V424 HydrophobicContact CD2-CG2 4.07Å; R420-V424 WeakPolarHBondContact O-CB 3.42Å; R420-V424 WeakPolarHBondContact O-CG2 3.45Å; R420-V424 PolarHBondContact O-N 3.05Å; V424-K426 PolarHBondContact O-N 2.92Å; V424-V427 PolarHBondContact O-N 3.47Å; V424-A428 WeakPolarHBondContact O-CB 3.45Å; V424-A428 PolarHBondContact O-N 2.97Å; V424-L448 HydrophobicContact CB-CD1 4.42Å; V424-L448 HydrophobicContact CG1-CD1 4.36Å; V424-L448 HydrophobicContact CG1-CD2 4.11Å; V424-L448 HydrophobicContact CG1-CG 4.27Å; V424-L448 HydrophobicContact CG2-CD1 4.08Å; V424-A452 HydrophobicContact CG2-CB 3.36Å; V424-F455 HydrophobicContact CG2-CB 4.05Å; V424-V456 HydrophobicContact CG1-CB 4.43Å; V424-V456 HydrophobicContact CG1-CG2 3.88Å |
| 425 | L | 91.8 | Very high | 91 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 177.4 | 179.8 | 62.5 | 0 | 0 | 0 | 111.4 | E421 E422 M423 A428 V429 L611 K614 L615 K618 | E421-L425 PolarHBondContact O-N 3.44Å; E422-L425 PolarHBondContact O-N 3.02Å; M423-L425 PolarHBondContact O-N 3.07Å; L425-A428 PolarHBondContact O-N 2.94Å; L425-V429 HydrophobicContact CD1-CG2 4.35Å; L425-V429 VanDerWaalsContact O-CG2 3.3Å; L425-V429 WeakPolarHBondContact O-CG2 3.42Å; L425-V429 PolarHBondContact O-N 3.2Å; L425-L611 HydrophobicContact CD1-CD2 4.36Å; L425-K614 HydrophobicContact CD1-CB 4.37Å; L425-L615 HydrophobicContact CD2-CD1 4.23Å; L425-K618 HydrophobicContact CD2-CD 3.91Å |
| 426 | K | 94.4 | Very high | 91 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 179.2 | -75 | 172 | -178.7 | 157.4 | 0 | 112.1 | V389 D390 Y393 M408 E422 M423 V424 A428 V429 L430 | V389-K426 HydrophobicContact CG1-CD 3.6Å; D390-K426 IonicContact OD1-NZ 3.33Å; D390-K426 PolarHBondContact OD1-NZ 3.46Å; Y393-K426 HydrophobicContact CD2-CB 3.77Å; Y393-K426 HydrophobicContact CD2-CD 4.28Å; Y393-K426 HydrophobicContact CD2-CG 3.7Å; Y393-K426 HydrophobicContact CE2-CB 4.44Å; Y393-K426 HydrophobicContact CE2-CG 4.28Å; Y393-K426 HydrophobicContact CG-CB 4.39Å; Y393-K426 HydrophobicContact CG-CD 4.08Å; Y393-K426 HydrophobicContact CG-CG 3.98Å; M408-K426 HydrophobicContact CE-CB 4.1Å; E422-K426 HydrophobicContact CG-CD 4.31Å; E422-K426 WeakPolarHBondContact O-CG 3.4Å; E422-K426 PolarHBondContact O-N 2.88Å; E422-K426 WeakPolarHBondContact OE1-CE 3.46Å; E422-K426 IonicContact OE1-NZ 3.26Å; E422-K426 PolarHBondContact OE1-NZ 2.94Å; M423-K426 PolarHBondContact O-N 3Å; V424-K426 PolarHBondContact O-N 2.92Å; K426-A428 VanDerWaalsContact C-N 3.33Å; K426-A428 PolarHBondContact O-N 3.34Å; K426-V429 PolarHBondContact O-N 3.44Å; K426-L430 VanDerWaalsContact O-CG 3.28Å; K426-L430 WeakPolarHBondContact O-CG 3.39Å; K426-L430 PolarHBondContact O-N 2.8Å |
| 427 | V | 96.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 177 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | V405 M408 L409 M423 V424 V429 L430 A431 I444 L448 | V405-V427 HydrophobicContact CG1-CG1 4.1Å; M408-V427 HydrophobicContact CB-CG2 3.77Å; M408-V427 HydrophobicContact CE-CG2 3.85Å; M408-V427 HydrophobicContact SD-CG2 4.23Å; L409-V427 HydrophobicContact CD2-CG1 4.08Å; L409-V427 HydrophobicContact CG-CG1 4.19Å; M423-V427 HydrophobicContact CG-CG2 4.42Å; M423-V427 WeakPolarHBondContact O-CB 3.47Å; M423-V427 VanDerWaalsContact O-CG2 3.31Å; M423-V427 WeakPolarHBondContact O-CG2 3.45Å; M423-V427 PolarHBondContact O-N 3.25Å; V424-V427 PolarHBondContact O-N 3.47Å; V427-V429 VanDerWaalsContact C-N 3.34Å; V427-V429 PolarHBondContact O-N 3.34Å; V427-L430 PolarHBondContact O-N 2.94Å; V427-A431 WeakPolarHBondContact O-CB 3.16Å; V427-A431 PolarHBondContact O-N 2.91Å; V427-I444 HydrophobicContact CG1-CG2 4.01Å; V427-L448 HydrophobicContact CB-CD1 4.14Å; V427-L448 HydrophobicContact CB-CD2 4.46Å; V427-L448 HydrophobicContact CG1-CD1 3.96Å; V427-L448 HydrophobicContact CG1-CD2 4.2Å |
| 428 | A | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V424 L425 K426 E432 I445 L448 V460 L611 | V424-A428 WeakPolarHBondContact O-CB 3.45Å; V424-A428 PolarHBondContact O-N 2.97Å; L425-A428 PolarHBondContact O-N 2.94Å; K426-A428 VanDerWaalsContact C-N 3.33Å; K426-A428 PolarHBondContact O-N 3.34Å; A428-E432 WeakPolarHBondContact O-CB 3.15Å; A428-E432 PolarHBondContact O-N 2.89Å; A428-I445 HydrophobicContact CB-CD1 4.17Å; A428-L448 HydrophobicContact CB-CD2 3.98Å; A428-V460 HydrophobicContact CB-CG1 4.43Å; A428-V460 HydrophobicContact CB-CG2 4.25Å; A428-L611 HydrophobicContact CB-CD1 4.08Å |
| 429 | V | 92.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.4 | -42.2 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 112 | Y393 L425 K426 V427 E432 K433 L611 F612 L615 | Y393-V429 HydrophobicContact CE2-CB 4.36Å; Y393-V429 HydrophobicContact CE2-CG1 4.02Å; L425-V429 HydrophobicContact CD1-CG2 4.35Å; L425-V429 VanDerWaalsContact O-CG2 3.3Å; L425-V429 WeakPolarHBondContact O-CG2 3.42Å; L425-V429 PolarHBondContact O-N 3.2Å; K426-V429 PolarHBondContact O-N 3.44Å; V427-V429 VanDerWaalsContact C-N 3.34Å; V427-V429 PolarHBondContact O-N 3.34Å; V429-E432 PolarHBondContact O-N 3.03Å; V429-K433 VanDerWaalsContact O-CB 3.26Å; V429-K433 WeakPolarHBondContact O-CB 3.15Å; V429-K433 PolarHBondContact O-N 3.36Å; V429-L611 HydrophobicContact CG2-CB 3.93Å; V429-F612 HydrophobicContact CG1-CD1 4.22Å; V429-F612 HydrophobicContact CG1-CE1 3.78Å; V429-F612 HydrophobicContact CG1-CZ 4.48Å; V429-L615 HydrophobicContact CG1-CD2 4.46Å |
| 430 | L | 95 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 178.2 | -68.4 | 179.7 | 0 | 0 | 0 | 111.5 | Y393 C396 V404 V405 M408 K426 V427 K433 Y434 | Y393-L430 HydrophobicContact CD2-CD1 4.1Å; Y393-L430 HydrophobicContact CD2-CD2 3.64Å; Y393-L430 HydrophobicContact CD2-CG 3.75Å; Y393-L430 HydrophobicContact CE2-CD2 3.76Å; Y393-L430 HydrophobicContact CE2-CG 4.06Å; C396-L430 HydrophobicContact CB-CD1 4.13Å; C396-L430 HydrophobicContact CB-CD2 3.72Å; V404-L430 HydrophobicContact CG1-CD1 4.24Å; V405-L430 HydrophobicContact CG2-CB 3.86Å; V405-L430 HydrophobicContact CG2-CD1 4.31Å; M408-L430 HydrophobicContact SD-CD1 3.99Å; K426-L430 VanDerWaalsContact O-CG 3.28Å; K426-L430 WeakPolarHBondContact O-CG 3.39Å; K426-L430 PolarHBondContact O-N 2.8Å; V427-L430 PolarHBondContact O-N 2.94Å; L430-K433 PolarHBondContact O-N 3.17Å; L430-Y434 HydrophobicContact CD2-CD2 4.01Å; L430-Y434 HydrophobicContact CD2-CE2 3.72Å; L430-Y434 WeakPolarHBondContact O-CB 3.41Å; L430-Y434 PolarHBondContact O-N 3.4Å |
| 431 | A | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.9 | -49.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | V427 K433 A435 W440 Y441 I444 I445 | V427-A431 WeakPolarHBondContact O-CB 3.16Å; V427-A431 PolarHBondContact O-N 2.91Å; A431-K433 PolarHBondContact O-N 3.33Å; A431-A435 WeakPolarHBondContact O-CB 3.25Å; A431-A435 PolarHBondContact O-N 3.21Å; A431-W440 HydrophobicContact CB-CZ3 4.36Å; A431-Y441 HydrophobicContact CB-CD2 4.18Å; A431-I444 HydrophobicContact CB-CB 4.3Å; A431-I444 HydrophobicContact CB-CG2 3.65Å; A431-I445 HydrophobicContact CB-CD1 4.23Å |
| 432 | E | 90.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 34.3 Ų | 34.3 | 20% | 0.201 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 178.5 | -175.1 | 79.2 | -160.1 | 0 | 0 | 112.2 | A428 V429 Y441 R463 F612 | A428-E432 WeakPolarHBondContact O-CB 3.15Å; A428-E432 PolarHBondContact O-N 2.89Å; V429-E432 PolarHBondContact O-N 3.03Å; E432-Y441 HydrophobicContact CB-CE2 4.27Å; E432-Y441 VanDerWaalsContact OE2-CE2 3.29Å; E432-Y441 WeakPolarHBondContact OE2-CE2 3.43Å; E432-Y441 PolarHBondContact OE2-OH 2.75Å; E432-R463 IonicContact OE1-CZ 3.76Å; E432-R463 VanDerWaalsContact OE1-CZ 3.26Å; E432-R463 IonicContact OE1-NE 2.77Å; E432-R463 PolarHBondContact OE1-NE 3.1Å; E432-R463 IonicContact OE1-NH2 3.28Å; E432-R463 PolarHBondContact OE1-NH2 3.27Å; E432-R463 IonicContact OE2-NE 3.33Å; E432-R463 PolarHBondContact OE2-NE 3.22Å; E432-F612 HydrophobicContact CG-CE2 4.47Å |
| 433 | K | 91.4 | Very high | 92.8 | Very high | 108 Ų | 108 | 33.9 Ų | 33.9 | 47% | 0.47 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -75.6 | -33.5 | -173.2 | -170.4 | -178.9 | 178 | -162.9 | 0 | 113.3 | V429 L430 A431 | V429-K433 VanDerWaalsContact O-CB 3.26Å; V429-K433 WeakPolarHBondContact O-CB 3.15Å; V429-K433 PolarHBondContact O-N 3.36Å; L430-K433 PolarHBondContact O-N 3.17Å; A431-K433 PolarHBondContact O-N 3.33Å |
| 434 | Y | 93.7 | Very high | 92.9 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 13% | 0.129 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -119.8 | 3.9 | -168.6 | -58.4 | -52.8 | 0 | 0 | 0 | 114.9 | C396 K398 A401 L430 K436 | C396-Y434 HydrophobicContact CB-CE2 4.2Å; C396-Y434 WeakPolarHBondContact O-CE2 3.46Å; C396-Y434 PolarHBondContact O-OH 2.73Å; K398-Y434 HydrophobicContact CG-CD1 3.86Å; K398-Y434 HydrophobicContact CG-CE1 4.49Å; A401-Y434 HydrophobicContact CB-CD2 4.19Å; A401-Y434 HydrophobicContact CB-CG 4.16Å; L430-Y434 HydrophobicContact CD2-CD2 4.01Å; L430-Y434 HydrophobicContact CD2-CE2 3.72Å; L430-Y434 WeakPolarHBondContact O-CB 3.41Å; L430-Y434 PolarHBondContact O-N 3.4Å; Y434-K436 PolarHBondContact O-N 2.68Å |
| 435 | A | 89.4 | Confident | 92.9 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 28% | 0.281 | 17% | 0.166 | S | C | . | . | trans | -54.6 | 126.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A431 W440 | A431-A435 WeakPolarHBondContact O-CB 3.25Å; A431-A435 PolarHBondContact O-N 3.21Å; A435-W440 HydrophobicContact CB-CE3 3.7Å; A435-W440 HydrophobicContact CB-CZ3 3.84Å | ||
| 436 | K | 89 | Confident | 93 | Very high | 158 Ų | 158 | 34.1 Ų | 34.1 | 69% | 0.687 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -86 | -30.3 | 172.9 | -67.1 | 177.4 | -177.7 | 167.9 | 0 | 111.4 | K398 Y434 | K398-K436 VanDerWaalsContact O-CE 3.22Å; K398-K436 WeakPolarHBondContact O-CE 3.41Å; K398-K436 PolarHBondContact O-NZ 3.33Å; Y434-K436 PolarHBondContact O-N 2.68Å |
| 437 | D | 90.3 | Very high | 93 | Very high | 89 Ų | 89 | 35.8 Ų | 35.8 | 48% | 0.476 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -140.3 | 154.9 | 177.1 | 68.2 | 92.4 | 0 | 0 | 0 | 110 | G439 W440 Y441 | D437-G439 VanDerWaalsContact C-N 3.34Å; D437-G439 WeakPolarHBondContact OD1-CA 3.43Å; D437-G439 PolarHBondContact OD1-N 3.12Å; D437-G439 VanDerWaalsContact OD1-N 3.11Å; D437-W440 PolarHBondContact OD1-N 2.88Å; D437-Y441 PolarHBondContact O-N 3.1Å |
| 438 | Y | 90.5 | Very high | 93 | Very high | 99 Ų | 99 | 35.8 Ų | 35.8 | 39% | 0.388 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -76.5 | -21.2 | -177.2 | -68.5 | -75.7 | 0 | 0 | 0 | 113 | Y441 V442 V467 R471 | Y438-Y441 PolarHBondContact O-N 3.43Å; Y438-V442 VanDerWaalsContact O-CG2 3.31Å; Y438-V442 WeakPolarHBondContact O-CG2 3.35Å; Y438-V442 PolarHBondContact O-N 3.44Å; Y438-V467 HydrophobicContact CD1-CG1 3.57Å; Y438-V467 HydrophobicContact CE1-CG1 4.17Å; Y438-V467 HydrophobicContact CG-CG1 4.34Å; Y438-R471 HydrophobicContact CD2-CG 4.4Å; Y438-R471 PolarHBondContact OH-NH2 3.37Å |
| 439 | G | 91.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.5 | -49.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | D437 Y441 V442 D443 | D437-G439 VanDerWaalsContact C-N 3.34Å; D437-G439 WeakPolarHBondContact OD1-CA 3.43Å; D437-G439 PolarHBondContact OD1-N 3.12Å; D437-G439 VanDerWaalsContact OD1-N 3.11Å; G439-Y441 VanDerWaalsContact C-N 3.34Å; G439-Y441 PolarHBondContact O-N 2.86Å; G439-V442 PolarHBondContact O-N 3.17Å; G439-D443 PolarHBondContact O-N 2.99Å |
| 440 | W | 93.8 | Very high | 92.9 | Very high | 40 Ų | 40 | 42.7 Ų | 42.7 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.4 | -43.9 | 173.6 | -179.1 | 78.4 | 0 | 0 | 0 | 111.9 | V405 A431 A435 D437 V442 D443 I444 | V405-W440 HydrophobicContact CB-CH2 4.46Å; V405-W440 HydrophobicContact CB-CZ2 4.13Å; V405-W440 HydrophobicContact CG1-CZ2 4.17Å; V405-W440 HydrophobicContact CG2-CH2 4.18Å; V405-W440 HydrophobicContact CG2-CZ2 4.34Å; A431-W440 HydrophobicContact CB-CZ3 4.36Å; A435-W440 HydrophobicContact CB-CE3 3.7Å; A435-W440 HydrophobicContact CB-CZ3 3.84Å; D437-W440 PolarHBondContact OD1-N 2.88Å; W440-V442 PolarHBondContact O-N 3.31Å; W440-D443 PolarHBondContact O-N 3.24Å; W440-I444 HydrophobicContact CD2-CG1 3.98Å; W440-I444 HydrophobicContact CE3-CG1 4.46Å; W440-I444 HydrophobicContact CG-CG1 4.43Å; W440-I444 HydrophobicContact CH2-CG1 4.35Å; W440-I444 HydrophobicContact CZ2-CD1 4.28Å; W440-I444 HydrophobicContact CZ2-CG1 3.82Å; W440-I444 VanDerWaalsContact O-CG1 3.27Å; W440-I444 WeakPolarHBondContact O-CG1 3.15Å; W440-I444 PolarHBondContact O-N 3.24Å |
| 441 | Y | 94.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -48.5 | 175.8 | 171.4 | -93.2 | 0 | 0 | 0 | 112 | A431 E432 D437 Y438 G439 D443 I444 I445 R463 V464 V467 | A431-Y441 HydrophobicContact CB-CD2 4.18Å; E432-Y441 HydrophobicContact CB-CE2 4.27Å; E432-Y441 VanDerWaalsContact OE2-CE2 3.29Å; E432-Y441 WeakPolarHBondContact OE2-CE2 3.43Å; E432-Y441 PolarHBondContact OE2-OH 2.75Å; D437-Y441 PolarHBondContact O-N 3.1Å; Y438-Y441 PolarHBondContact O-N 3.43Å; G439-Y441 VanDerWaalsContact C-N 3.34Å; G439-Y441 PolarHBondContact O-N 2.86Å; Y441-D443 PolarHBondContact O-N 3.49Å; Y441-I444 PolarHBondContact O-N 3.2Å; Y441-I445 HydrophobicContact CD1-CG1 4.46Å; Y441-I445 HydrophobicContact CD2-CG1 4.12Å; Y441-I445 HydrophobicContact CE1-CG1 4.02Å; Y441-I445 HydrophobicContact CE2-CD1 4.12Å; Y441-I445 HydrophobicContact CE2-CG1 3.64Å; Y441-I445 WeakPolarHBondContact O-CG1 3.41Å; Y441-I445 PolarHBondContact O-N 3.44Å; Y441-R463 VanDerWaalsContact OH-CG 3.29Å; Y441-R463 WeakPolarHBondContact OH-CG 3.42Å; Y441-V464 HydrophobicContact CE1-CG2 4.39Å; Y441-V467 HydrophobicContact CD1-CB 4.4Å; Y441-V467 HydrophobicContact CD1-CG1 3.92Å; Y441-V467 HydrophobicContact CD1-CG2 4.38Å; Y441-V467 HydrophobicContact CE1-CB 3.98Å; Y441-V467 HydrophobicContact CE1-CG1 4.02Å; Y441-V467 HydrophobicContact CE1-CG2 3.76Å |
| 442 | V | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 178.9 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | Y438 G439 W440 I444 I445 L446 V468 A478 | Y438-V442 VanDerWaalsContact O-CG2 3.31Å; Y438-V442 WeakPolarHBondContact O-CG2 3.35Å; Y438-V442 PolarHBondContact O-N 3.44Å; G439-V442 PolarHBondContact O-N 3.17Å; W440-V442 PolarHBondContact O-N 3.31Å; V442-I444 PolarHBondContact O-N 3.49Å; V442-I445 PolarHBondContact O-N 3.14Å; V442-L446 HydrophobicContact CG1-CD1 3.62Å; V442-L446 HydrophobicContact CG1-CG 4.08Å; V442-L446 WeakPolarHBondContact O-CB 3.4Å; V442-L446 VanDerWaalsContact O-CG 3.27Å; V442-L446 WeakPolarHBondContact O-CG 3.27Å; V442-L446 PolarHBondContact O-N 3.38Å; V442-V468 HydrophobicContact CG2-CG2 3.95Å; V442-A478 HydrophobicContact CG1-CB 4.07Å |
| 443 | D | 94.1 | Very high | 92.1 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 31% | 0.31 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 178.2 | -75.9 | -20.8 | 0 | 0 | 0 | 112.6 | G439 W440 Y441 N447 Y477 | G439-D443 PolarHBondContact O-N 2.99Å; W440-D443 PolarHBondContact O-N 3.24Å; Y441-D443 PolarHBondContact O-N 3.49Å; D443-N447 WeakPolarHBondContact O-CB 3.4Å; D443-N447 PolarHBondContact O-N 3.49Å; D443-Y477 VanDerWaalsContact OD1-CE1 3.25Å; D443-Y477 WeakPolarHBondContact OD1-CE1 3.46Å; D443-Y477 PolarHBondContact OD1-OH 3.37Å; D443-Y477 PolarHBondContact OD2-OH 2.81Å |
| 444 | I | 95.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -47.6 | 179.5 | -67.7 | -51.3 | 0 | 0 | 0 | 110.8 | V405 L409 V427 A431 W440 Y441 V442 N447 L448 | V405-I444 HydrophobicContact CG1-CD1 3.66Å; V405-I444 HydrophobicContact CG1-CG1 3.98Å; V405-I444 HydrophobicContact CG1-CG2 3.69Å; L409-I444 HydrophobicContact CD1-CD1 3.72Å; L409-I444 HydrophobicContact CD1-CG2 4.23Å; V427-I444 HydrophobicContact CG1-CG2 4.01Å; A431-I444 HydrophobicContact CB-CB 4.3Å; A431-I444 HydrophobicContact CB-CG2 3.65Å; W440-I444 HydrophobicContact CD2-CG1 3.98Å; W440-I444 HydrophobicContact CE3-CG1 4.46Å; W440-I444 HydrophobicContact CG-CG1 4.43Å; W440-I444 HydrophobicContact CH2-CG1 4.35Å; W440-I444 HydrophobicContact CZ2-CD1 4.28Å; W440-I444 HydrophobicContact CZ2-CG1 3.82Å; W440-I444 VanDerWaalsContact O-CG1 3.27Å; W440-I444 WeakPolarHBondContact O-CG1 3.15Å; W440-I444 PolarHBondContact O-N 3.24Å; Y441-I444 PolarHBondContact O-N 3.2Å; V442-I444 PolarHBondContact O-N 3.49Å; I444-N447 PolarHBondContact O-N 3.29Å; I444-L448 VanDerWaalsContact O-CB 3.26Å; I444-L448 WeakPolarHBondContact O-CB 3.38Å; I444-L448 PolarHBondContact O-N 2.92Å |
| 445 | I | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.8 | -40.3 | -176.4 | -61.8 | -59.3 | 0 | 0 | 0 | 112 | A428 A431 Y441 V442 N447 L448 I449 V460 V464 | A428-I445 HydrophobicContact CB-CD1 4.17Å; A431-I445 HydrophobicContact CB-CD1 4.23Å; Y441-I445 HydrophobicContact CD1-CG1 4.46Å; Y441-I445 HydrophobicContact CD2-CG1 4.12Å; Y441-I445 HydrophobicContact CE1-CG1 4.02Å; Y441-I445 HydrophobicContact CE2-CD1 4.12Å; Y441-I445 HydrophobicContact CE2-CG1 3.64Å; Y441-I445 WeakPolarHBondContact O-CG1 3.41Å; Y441-I445 PolarHBondContact O-N 3.44Å; V442-I445 PolarHBondContact O-N 3.14Å; I445-N447 VanDerWaalsContact C-N 3.34Å; I445-L448 HydrophobicContact CD1-CD2 4.28Å; I445-L448 WeakPolarHBondContact O-CB 3.47Å; I445-L448 PolarHBondContact O-N 3.24Å; I445-I449 HydrophobicContact CG2-CD1 4.11Å; I445-I449 WeakPolarHBondContact O-CG1 3.46Å; I445-I449 PolarHBondContact O-N 2.89Å; I445-V460 HydrophobicContact CD1-CG1 4.37Å; I445-V460 HydrophobicContact CG2-CG1 3.87Å; I445-V464 HydrophobicContact CB-CG2 4.41Å; I445-V464 HydrophobicContact CG2-CB 3.88Å; I445-V464 HydrophobicContact CG2-CG1 4.32Å; I445-V464 HydrophobicContact CG2-CG2 4.17Å |
| 446 | L | 93.9 | Very high | 91.4 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.6 | -67.3 | -176.6 | 0 | 0 | 0 | 111.1 | V442 L448 I449 R450 T481 V482 M495 V498 | V442-L446 HydrophobicContact CG1-CD1 3.62Å; V442-L446 HydrophobicContact CG1-CG 4.08Å; V442-L446 WeakPolarHBondContact O-CB 3.4Å; V442-L446 VanDerWaalsContact O-CG 3.27Å; V442-L446 WeakPolarHBondContact O-CG 3.27Å; V442-L446 PolarHBondContact O-N 3.38Å; L446-L448 VanDerWaalsContact C-N 3.32Å; L446-L448 PolarHBondContact O-N 3.29Å; L446-I449 PolarHBondContact O-N 2.97Å; L446-R450 WeakPolarHBondContact O-CB 3.06Å; L446-R450 PolarHBondContact O-N 3.17Å; L446-T481 HydrophobicContact CD1-CG2 3.62Å; L446-V482 HydrophobicContact CD1-CG1 3.75Å; L446-V482 HydrophobicContact CD2-CG1 3.78Å; L446-V482 HydrophobicContact CG-CG1 4.44Å; L446-M495 HydrophobicContact CB-CE 4.44Å; L446-M495 HydrophobicContact CD2-CE 4.47Å; L446-M495 HydrophobicContact CD2-SD 4.43Å; L446-M495 WeakPolarHBondContact O-CE 3.37Å; L446-V498 HydrophobicContact CD2-CG1 3.89Å |
| 447 | N | 93.9 | Very high | 91.2 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 24% | 0.241 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.3 | -36.4 | 173.8 | -167 | 32.1 | 0 | 0 | 0 | 111.9 | D443 I444 I445 R450 V451 | D443-N447 WeakPolarHBondContact O-CB 3.4Å; D443-N447 PolarHBondContact O-N 3.49Å; I444-N447 PolarHBondContact O-N 3.29Å; I445-N447 VanDerWaalsContact C-N 3.34Å; N447-R450 PolarHBondContact O-N 3.13Å; N447-R450 PolarHBondContact OD1-NE 3.47Å; N447-R450 PolarHBondContact OD1-NH2 2.99Å; N447-V451 WeakPolarHBondContact O-CB 3.47Å; N447-V451 VanDerWaalsContact O-CG2 3.32Å; N447-V451 WeakPolarHBondContact O-CG2 3.47Å; N447-V451 PolarHBondContact O-N 2.87Å |
| 448 | L | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.1 | -172.8 | 66.7 | 0 | 0 | 0 | 111.8 | L409 L412 V424 V427 A428 I444 I445 L446 R450 V451 A452 | L409-L448 HydrophobicContact CD2-CB 4.25Å; L409-L448 HydrophobicContact CD2-CD1 3.72Å; L412-L448 HydrophobicContact CD2-CD1 3.59Å; V424-L448 HydrophobicContact CB-CD1 4.42Å; V424-L448 HydrophobicContact CG1-CD1 4.36Å; V424-L448 HydrophobicContact CG1-CD2 4.11Å; V424-L448 HydrophobicContact CG1-CG 4.27Å; V424-L448 HydrophobicContact CG2-CD1 4.08Å; V427-L448 HydrophobicContact CB-CD1 4.14Å; V427-L448 HydrophobicContact CB-CD2 4.46Å; V427-L448 HydrophobicContact CG1-CD1 3.96Å; V427-L448 HydrophobicContact CG1-CD2 4.2Å; A428-L448 HydrophobicContact CB-CD2 3.98Å; I444-L448 VanDerWaalsContact O-CB 3.26Å; I444-L448 WeakPolarHBondContact O-CB 3.38Å; I444-L448 PolarHBondContact O-N 2.92Å; I445-L448 HydrophobicContact CD1-CD2 4.28Å; I445-L448 WeakPolarHBondContact O-CB 3.47Å; I445-L448 PolarHBondContact O-N 3.24Å; L446-L448 VanDerWaalsContact C-N 3.32Å; L446-L448 PolarHBondContact O-N 3.29Å; L448-R450 VanDerWaalsContact C-N 3.34Å; L448-V451 PolarHBondContact O-N 3.5Å; L448-A452 WeakPolarHBondContact O-CB 3.44Å; L448-A452 PolarHBondContact O-N 3.22Å |
| 449 | I | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 175 | -65 | 166.4 | 0 | 0 | 0 | 110.7 | I445 L446 V451 G453 V456 W461 V464 N494 M495 V498 | I445-I449 HydrophobicContact CG2-CD1 4.11Å; I445-I449 WeakPolarHBondContact O-CG1 3.46Å; I445-I449 PolarHBondContact O-N 2.89Å; L446-I449 PolarHBondContact O-N 2.97Å; I449-V451 PolarHBondContact O-N 3.42Å; I449-G453 WeakPolarHBondContact O-CA 3.32Å; I449-G453 PolarHBondContact O-N 2.94Å; I449-V456 HydrophobicContact CG1-CG1 4.1Å; I449-W461 HydrophobicContact CD1-CB 4.23Å; I449-V464 HydrophobicContact CD1-CG1 4.49Å; I449-N494 HydrophobicContact CG2-CB 3.92Å; I449-M495 HydrophobicContact CB-CE 3.96Å; I449-M495 HydrophobicContact CG2-CB 3.93Å; I449-M495 HydrophobicContact CG2-CE 3.91Å; I449-V498 HydrophobicContact CD1-CG2 3.95Å |
| 450 | R | 91.8 | Very high | 90.7 | Very high | 145 Ų | 145 | 33.4 Ų | 33.4 | 55% | 0.547 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 178.9 | -171.8 | -177.4 | 69.5 | 102.5 | 1.2 | 112.5 | L446 N447 L448 M495 | L446-R450 WeakPolarHBondContact O-CB 3.06Å; L446-R450 PolarHBondContact O-N 3.17Å; N447-R450 PolarHBondContact O-N 3.13Å; N447-R450 PolarHBondContact OD1-NE 3.47Å; N447-R450 PolarHBondContact OD1-NH2 2.99Å; L448-R450 VanDerWaalsContact C-N 3.34Å; R450-M495 HydrophobicContact CB-CE 4.1Å |
| 451 | V | 90.1 | Very high | 90.5 | Very high | 29 Ų | 29 | 32 Ų | 32 | 18% | 0.176 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -82.4 | -37.9 | -175.4 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | L412 Q413 N447 L448 I449 | L412-V451 HydrophobicContact CB-CG1 4.05Å; L412-V451 HydrophobicContact CD2-CG1 4.1Å; L412-V451 HydrophobicContact CG-CG1 3.9Å; Q413-V451 HydrophobicContact CB-CG1 4.36Å; Q413-V451 HydrophobicContact CG-CG1 3.68Å; Q413-V451 HydrophobicContact CG-CG2 4.05Å; N447-V451 WeakPolarHBondContact O-CB 3.47Å; N447-V451 VanDerWaalsContact O-CG2 3.32Å; N447-V451 WeakPolarHBondContact O-CG2 3.47Å; N447-V451 PolarHBondContact O-N 2.87Å; L448-V451 PolarHBondContact O-N 3.5Å; I449-V451 PolarHBondContact O-N 3.42Å |
| 452 | A | 88.8 | Confident | 90.3 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -115.6 | -5.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L412 V424 L448 E454 F455 V456 | L412-A452 HydrophobicContact CD2-CB 3.87Å; L412-A452 HydrophobicContact CG-CB 4.36Å; V424-A452 HydrophobicContact CG2-CB 3.36Å; L448-A452 WeakPolarHBondContact O-CB 3.44Å; L448-A452 PolarHBondContact O-N 3.22Å; A452-E454 PolarHBondContact O-N 3.12Å; A452-F455 HydrophobicContact CB-CB 4.4Å; A452-F455 WeakPolarHBondContact O-CB 3.47Å; A452-F455 WeakPolarHBondContact O-CD2 3.15Å; A452-F455 PolarHBondContact O-N 3.27Å; A452-V456 HydrophobicContact CB-CG2 4.13Å |
| 453 | G | 84.9 | Confident | 90.2 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | 31.7 | -91 | 167 | 0 | 0 | 0 | 0 | 0 | 116.2 | I449 F455 V456 H492 N494 | I449-G453 WeakPolarHBondContact O-CA 3.32Å; I449-G453 PolarHBondContact O-N 2.94Å; G453-F455 VanDerWaalsContact C-N 3.28Å; G453-F455 PolarHBondContact O-N 3.28Å; G453-V456 WeakPolarHBondContact O-CB 3.34Å; G453-V456 PolarHBondContact O-N 3.42Å; G453-V456 VanDerWaalsContact O-N 3.14Å; G453-H492 WeakPolarHBondContact CA-ND1 3.31Å; G453-H492 PolarHBondContact O-CE1 3.39Å; G453-N494 PolarHBondContact O-ND2 3.1Å |
| 454 | E | 84.4 | Confident | 90.2 | Very high | 125 Ų | 125 | 35.4 Ų | 35.4 | 58% | 0.584 | 16% | 0.164 | S | C | * | . | G | 310 helix | trans | -61.4 | -27.4 | -176.8 | 67.3 | -176 | 159.7 | 0 | 0 | 114.7 | A452 V456 H492 | A452-E454 PolarHBondContact O-N 3.12Å; E454-V456 VanDerWaalsContact C-N 3.35Å; E454-H492 PolarHBondContact N-CE1 2.94Å; E454-H492 PolarHBondContact N-NE2 3.38Å |
| 455 | F | 87.7 | Confident | 90.1 | Very high | 43 Ų | 43 | 35 Ų | 35 | 19% | 0.189 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -85 | -10.7 | 178.6 | -64 | -72.4 | 0 | 0 | 0 | 113 | Y417 R420 E421 V424 A452 G453 S457 | Y417-F455 AromaticContact CD1-CE2 3.78Å; Y417-F455 HydrophobicContact CD1-CE2 3.78Å; Y417-F455 AromaticContact CD1-CZ 3.53Å; Y417-F455 HydrophobicContact CD1-CZ 3.53Å; Y417-F455 HydrophobicContact CE1-CE2 4.29Å; Y417-F455 HydrophobicContact CE1-CZ 4.33Å; Y417-F455 HydrophobicContact CG-CZ 4.37Å; R420-F455 HydrophobicContact CB-CD1 4.1Å; R420-F455 HydrophobicContact CB-CD2 3.73Å; R420-F455 HydrophobicContact CB-CE1 4.32Å; R420-F455 HydrophobicContact CB-CE2 3.99Å; R420-F455 HydrophobicContact CB-CG 3.82Å; R420-F455 HydrophobicContact CB-CZ 4.31Å; R420-F455 VanDerWaalsContact CD-CE2 3.44Å; R420-F455 HydrophobicContact CG-CD2 4.36Å; R420-F455 HydrophobicContact CG-CE2 4.36Å; E421-F455 HydrophobicContact CB-CD1 3.91Å; E421-F455 HydrophobicContact CG-CD1 4.48Å; V424-F455 HydrophobicContact CG2-CB 4.05Å; A452-F455 HydrophobicContact CB-CB 4.4Å; A452-F455 WeakPolarHBondContact O-CB 3.47Å; A452-F455 WeakPolarHBondContact O-CD2 3.15Å; A452-F455 PolarHBondContact O-N 3.27Å; G453-F455 VanDerWaalsContact C-N 3.28Å; G453-F455 PolarHBondContact O-N 3.28Å; F455-S457 PolarHBondContact O-N 3.03Å |
| 456 | V | 87.3 | Confident | 90 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -82.6 | 115.1 | 179.8 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | V424 I449 A452 G453 E454 V460 N494 | V424-V456 HydrophobicContact CG1-CB 4.43Å; V424-V456 HydrophobicContact CG1-CG2 3.88Å; I449-V456 HydrophobicContact CG1-CG1 4.1Å; A452-V456 HydrophobicContact CB-CG2 4.13Å; G453-V456 WeakPolarHBondContact O-CB 3.34Å; G453-V456 PolarHBondContact O-N 3.42Å; G453-V456 VanDerWaalsContact O-N 3.14Å; E454-V456 VanDerWaalsContact C-N 3.35Å; V456-V460 HydrophobicContact CG1-CB 3.58Å; V456-V460 HydrophobicContact CG1-CG1 3.73Å; V456-V460 HydrophobicContact CG1-CG2 4.06Å; V456-N494 PolarHBondContact O-ND2 2.91Å |
| 457 | S | 85.8 | Confident | 89.9 | Confident | 37 Ų | 37 | 37.6 Ų | 37.6 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | trans | -70.3 | 155.4 | 178.4 | 81.6 | 0 | 0 | 0 | 0 | 112.3 | F455 E459 V460 K614 | F455-S457 PolarHBondContact O-N 3.03Å; S457-E459 PolarHBondContact O-N 2.87Å; S457-E459 VanDerWaalsContact O-N 3.15Å; S457-V460 WeakPolarHBondContact O-CB 3.44Å; S457-V460 PolarHBondContact O-N 3.45Å; S457-K614 PolarHBondContact OG-NZ 3.34Å | ||
| 458 | E | 86.6 | Confident | 89.9 | Confident | 80 Ų | 80 | 35.5 Ų | 35.5 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.6 | -35.4 | -174.6 | -61.7 | -159.7 | 142.2 | 0 | 0 | 114.2 | V460 W461 Y462 K497 | E458-V460 PolarHBondContact O-N 3.34Å; E458-W461 VanDerWaalsContact CA-CD1 3.42Å; E458-W461 PolarHBondContact O-N 3Å; E458-W461 VanDerWaalsContact O-N 3.15Å; E458-W461 PolarHBondContact O-NE1 3.48Å; E458-Y462 HydrophobicContact CB-CD2 4.14Å; E458-Y462 HydrophobicContact CB-CE2 3.45Å; E458-Y462 VanDerWaalsContact CB-CE2 3.45Å; E458-Y462 WeakPolarHBondContact O-CD2 3.5Å; E458-Y462 PolarHBondContact O-N 3.16Å; E458-Y462 PolarHBondContact OE2-OH 2.77Å; E458-K497 IonicContact OE1-NZ 3.16Å |
| 459 | E | 85.7 | Confident | 89.9 | Confident | 55 Ų | 55 | 36 Ų | 36 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.3 | -31.9 | 177.8 | -70.9 | 168 | -149.7 | 0 | 0 | 114 | S457 R463 S610 L611 K614 | S457-E459 PolarHBondContact O-N 2.87Å; S457-E459 VanDerWaalsContact O-N 3.15Å; E459-R463 VanDerWaalsContact O-CB 3.28Å; E459-R463 WeakPolarHBondContact O-CB 3.43Å; E459-R463 PolarHBondContact O-N 3.18Å; E459-S610 WeakPolarHBondContact CB-OG 3.47Å; E459-S610 VanDerWaalsContact CG-OG 3.28Å; E459-S610 WeakPolarHBondContact CG-OG 3.39Å; E459-S610 WeakPolarHBondContact OE2-CB 3.33Å; E459-S610 PolarHBondContact OE2-OG 3.26Å; E459-L611 HydrophobicContact CB-CD2 4.34Å; E459-K614 VanDerWaalsContact CD-CE 3.45Å; E459-K614 WeakPolarHBondContact OE1-CE 3.4Å; E459-K614 IonicContact OE1-NZ 3.21Å; E459-K614 PolarHBondContact OE1-NZ 3.26Å; E459-K614 VanDerWaalsContact OE2-CD 3.3Å; E459-K614 WeakPolarHBondContact OE2-CD 3.32Å; E459-K614 WeakPolarHBondContact OE2-CE 3.32Å; E459-K614 IonicContact OE2-NZ 2.73Å; E459-K614 PolarHBondContact OE2-NZ 2.86Å |
| 460 | V | 89.4 | Confident | 89.9 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.8 | -43.1 | -179.9 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | A428 I445 V456 S457 E458 R463 V464 L611 | A428-V460 HydrophobicContact CB-CG1 4.43Å; A428-V460 HydrophobicContact CB-CG2 4.25Å; I445-V460 HydrophobicContact CD1-CG1 4.37Å; I445-V460 HydrophobicContact CG2-CG1 3.87Å; V456-V460 HydrophobicContact CG1-CB 3.58Å; V456-V460 HydrophobicContact CG1-CG1 3.73Å; V456-V460 HydrophobicContact CG1-CG2 4.06Å; S457-V460 WeakPolarHBondContact O-CB 3.44Å; S457-V460 PolarHBondContact O-N 3.45Å; E458-V460 PolarHBondContact O-N 3.34Å; V460-R463 PolarHBondContact O-N 3.07Å; V460-V464 PolarHBondContact O-N 2.94Å; V460-L611 HydrophobicContact CG2-CD2 3.72Å |
| 461 | W | 88.3 | Confident | 89.9 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 5% | 0.045 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -78.3 | -32.8 | -178.9 | 81.5 | -107.5 | 0 | 0 | 0 | 111.9 | I449 E458 R463 V464 I465 K497 V498 I539 | I449-W461 HydrophobicContact CD1-CB 4.23Å; E458-W461 VanDerWaalsContact CA-CD1 3.42Å; E458-W461 PolarHBondContact O-N 3Å; E458-W461 VanDerWaalsContact O-N 3.15Å; E458-W461 PolarHBondContact O-NE1 3.48Å; W461-R463 VanDerWaalsContact C-N 3.25Å; W461-R463 PolarHBondContact O-N 3.26Å; W461-V464 VanDerWaalsContact O-CG1 3.29Å; W461-V464 WeakPolarHBondContact O-CG1 3.4Å; W461-V464 PolarHBondContact O-N 3.4Å; W461-I465 HydrophobicContact CE3-CG1 4.21Å; W461-I465 HydrophobicContact CZ3-CG1 4.42Å; W461-I465 WeakPolarHBondContact O-CG1 3.44Å; W461-I465 PolarHBondContact O-N 2.96Å; W461-K497 HydrophobicContact CE3-CB 4.45Å; W461-K497 HydrophobicContact CH2-CB 4.3Å; W461-K497 HydrophobicContact CH2-CD 4.23Å; W461-K497 HydrophobicContact CZ2-CB 4.4Å; W461-K497 HydrophobicContact CZ2-CD 3.64Å; W461-K497 HydrophobicContact CZ3-CB 4.35Å; W461-V498 HydrophobicContact CB-CG2 3.59Å; W461-V498 HydrophobicContact CE3-CG2 4.19Å; W461-V498 HydrophobicContact CG-CG2 4.34Å; W461-I539 HydrophobicContact CH2-CD1 4.06Å |
| 462 | Y | 91.8 | Very high | 90 | Very high | 87 Ų | 87 | 40.7 Ų | 40.7 | 34% | 0.341 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.6 | -41.2 | 168.2 | -62.9 | -41.5 | 0 | 0 | 0 | 111.3 | E458 I465 Q466 | E458-Y462 HydrophobicContact CB-CD2 4.14Å; E458-Y462 HydrophobicContact CB-CE2 3.45Å; E458-Y462 VanDerWaalsContact CB-CE2 3.45Å; E458-Y462 WeakPolarHBondContact O-CD2 3.5Å; E458-Y462 PolarHBondContact O-N 3.16Å; E458-Y462 PolarHBondContact OE2-OH 2.77Å; Y462-I465 PolarHBondContact O-N 3.12Å; Y462-Q466 WeakPolarHBondContact O-CG 3.03Å; Y462-Q466 PolarHBondContact O-N 3.1Å; Y462-Q466 VanDerWaalsContact O-N 3.15Å |
| 463 | R | 90.5 | Very high | 90.3 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 18% | 0.177 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | -178.7 | -176.8 | 60.4 | 178 | 167.4 | 0.1 | 112.8 | E432 Y441 E459 V460 W461 I465 Q466 V467 | E432-R463 IonicContact OE1-CZ 3.76Å; E432-R463 VanDerWaalsContact OE1-CZ 3.26Å; E432-R463 IonicContact OE1-NE 2.77Å; E432-R463 PolarHBondContact OE1-NE 3.1Å; E432-R463 IonicContact OE1-NH2 3.28Å; E432-R463 PolarHBondContact OE1-NH2 3.27Å; E432-R463 IonicContact OE2-NE 3.33Å; E432-R463 PolarHBondContact OE2-NE 3.22Å; Y441-R463 VanDerWaalsContact OH-CG 3.29Å; Y441-R463 WeakPolarHBondContact OH-CG 3.42Å; E459-R463 VanDerWaalsContact O-CB 3.28Å; E459-R463 WeakPolarHBondContact O-CB 3.43Å; E459-R463 PolarHBondContact O-N 3.18Å; V460-R463 PolarHBondContact O-N 3.07Å; W461-R463 VanDerWaalsContact C-N 3.25Å; W461-R463 PolarHBondContact O-N 3.26Å; R463-I465 VanDerWaalsContact C-N 3.27Å; R463-I465 PolarHBondContact O-N 2.58Å; R463-Q466 PolarHBondContact O-N 3.27Å; R463-V467 WeakPolarHBondContact O-CG2 3.47Å; R463-V467 PolarHBondContact O-N 3.23Å |
| 464 | V | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -36.5 | 178.4 | 71.7 | 0 | 0 | 0 | 0 | 111.7 | Y441 I445 I449 V460 W461 V467 V468 V498 | Y441-V464 HydrophobicContact CE1-CG2 4.39Å; I445-V464 HydrophobicContact CB-CG2 4.41Å; I445-V464 HydrophobicContact CG2-CB 3.88Å; I445-V464 HydrophobicContact CG2-CG1 4.32Å; I445-V464 HydrophobicContact CG2-CG2 4.17Å; I449-V464 HydrophobicContact CD1-CG1 4.49Å; V460-V464 PolarHBondContact O-N 2.94Å; W461-V464 VanDerWaalsContact O-CG1 3.29Å; W461-V464 WeakPolarHBondContact O-CG1 3.4Å; W461-V464 PolarHBondContact O-N 3.4Å; V464-V467 PolarHBondContact O-N 3.46Å; V464-V468 HydrophobicContact CG2-CG2 4.36Å; V464-V468 VanDerWaalsContact O-CG2 3.3Å; V464-V468 WeakPolarHBondContact O-CG2 3.47Å; V464-V468 PolarHBondContact O-N 3.08Å; V464-V498 HydrophobicContact CG1-CG1 3.96Å; V464-V498 HydrophobicContact CG1-CG2 4.02Å |
| 465 | I | 94.3 | Very high | 91.3 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 173.8 | -64.6 | -55.8 | 0 | 0 | 0 | 111.4 | W461 Y462 R463 V467 V468 V469 V498 Y501 I502 F604 | W461-I465 HydrophobicContact CE3-CG1 4.21Å; W461-I465 HydrophobicContact CZ3-CG1 4.42Å; W461-I465 WeakPolarHBondContact O-CG1 3.44Å; W461-I465 PolarHBondContact O-N 2.96Å; Y462-I465 PolarHBondContact O-N 3.12Å; R463-I465 VanDerWaalsContact C-N 3.27Å; R463-I465 PolarHBondContact O-N 2.58Å; I465-V467 VanDerWaalsContact C-N 3.31Å; I465-V467 PolarHBondContact O-N 3.3Å; I465-V468 PolarHBondContact O-N 3.09Å; I465-V469 HydrophobicContact CG2-CG2 4.15Å; I465-V469 WeakPolarHBondContact O-CB 3.34Å; I465-V469 WeakPolarHBondContact O-CG2 3.48Å; I465-V469 PolarHBondContact O-N 3.22Å; I465-V498 HydrophobicContact CD1-CB 4.49Å; I465-V498 HydrophobicContact CD1-CG1 3.98Å; I465-Y501 HydrophobicContact CD1-CD1 4.07Å; I465-Y501 HydrophobicContact CD1-CG 4.04Å; I465-Y501 HydrophobicContact CG1-CD1 4.45Å; I465-Y501 HydrophobicContact CG1-CG 4.31Å; I465-Y501 HydrophobicContact CG2-CD1 3.51Å; I465-Y501 HydrophobicContact CG2-CD2 4.4Å; I465-Y501 HydrophobicContact CG2-CE1 3.42Å; I465-Y501 VanDerWaalsContact CG2-CE1 3.42Å; I465-Y501 HydrophobicContact CG2-CE2 4.33Å; I465-Y501 HydrophobicContact CG2-CG 4.02Å; I465-I502 HydrophobicContact CD1-CD1 4.01Å; I465-I502 HydrophobicContact CD1-CG1 3.49Å; I465-I502 VanDerWaalsContact CD1-CG1 3.49Å; I465-F604 HydrophobicContact CG2-CE2 4.31Å; I465-F604 HydrophobicContact CG2-CZ 4.49Å |
| 466 | Q | 92.5 | Very high | 91.7 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 177.8 | -68.3 | 173.4 | -9.6 | 0 | 0 | 112.4 | Y462 R463 N470 F604 | Y462-Q466 WeakPolarHBondContact O-CG 3.03Å; Y462-Q466 PolarHBondContact O-N 3.1Å; Y462-Q466 VanDerWaalsContact O-N 3.15Å; R463-Q466 PolarHBondContact O-N 3.27Å; Q466-N470 VanDerWaalsContact O-CB 3.28Å; Q466-N470 WeakPolarHBondContact O-CB 3.33Å; Q466-N470 VanDerWaalsContact O-CG 3.23Å; Q466-N470 PolarHBondContact O-N 2.9Å; Q466-N470 VanDerWaalsContact O-N 3.1Å; Q466-N470 PolarHBondContact O-OD1 3.1Å; Q466-F604 HydrophobicContact CB-CB 4.4Å; Q466-F604 HydrophobicContact CB-CD2 4.07Å; Q466-F604 HydrophobicContact CB-CG 4.29Å; Q466-F604 HydrophobicContact CG-CB 4.11Å; Q466-F604 HydrophobicContact CG-CD1 4.12Å; Q466-F604 HydrophobicContact CG-CD2 3.85Å; Q466-F604 HydrophobicContact CG-CE2 4.26Å; Q466-F604 HydrophobicContact CG-CG 3.76Å |
| 467 | V | 91.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -46.3 | 179.5 | 172 | 0 | 0 | 0 | 0 | 110.9 | Y438 Y441 R463 V464 I465 R471 | Y438-V467 HydrophobicContact CD1-CG1 3.57Å; Y438-V467 HydrophobicContact CE1-CG1 4.17Å; Y438-V467 HydrophobicContact CG-CG1 4.34Å; Y441-V467 HydrophobicContact CD1-CB 4.4Å; Y441-V467 HydrophobicContact CD1-CG1 3.92Å; Y441-V467 HydrophobicContact CD1-CG2 4.38Å; Y441-V467 HydrophobicContact CE1-CB 3.98Å; Y441-V467 HydrophobicContact CE1-CG1 4.02Å; Y441-V467 HydrophobicContact CE1-CG2 3.76Å; R463-V467 WeakPolarHBondContact O-CG2 3.47Å; R463-V467 PolarHBondContact O-N 3.23Å; V464-V467 PolarHBondContact O-N 3.46Å; I465-V467 VanDerWaalsContact C-N 3.31Å; I465-V467 PolarHBondContact O-N 3.3Å; V467-R471 WeakPolarHBondContact O-CB 3.4Å; V467-R471 WeakPolarHBondContact O-CG 3.5Å; V467-R471 PolarHBondContact O-N 3.23Å |
| 468 | V | 95.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.4 | -45.2 | -179.5 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | V442 V464 I465 N470 R471 Q475 A478 I502 F506 | V442-V468 HydrophobicContact CG2-CG2 3.95Å; V464-V468 HydrophobicContact CG2-CG2 4.36Å; V464-V468 VanDerWaalsContact O-CG2 3.3Å; V464-V468 WeakPolarHBondContact O-CG2 3.47Å; V464-V468 PolarHBondContact O-N 3.08Å; I465-V468 PolarHBondContact O-N 3.09Å; V468-N470 VanDerWaalsContact C-N 3.33Å; V468-N470 PolarHBondContact O-N 3.18Å; V468-R471 PolarHBondContact O-N 3.3Å; V468-Q475 HydrophobicContact CG1-CG 4.22Å; V468-Q475 WeakPolarHBondContact O-CG 3.44Å; V468-A478 HydrophobicContact CG1-CB 3.82Å; V468-A478 HydrophobicContact CG2-CB 3.78Å; V468-I502 HydrophobicContact CB-CD1 4.44Å; V468-I502 HydrophobicContact CG1-CD1 4.27Å; V468-I502 HydrophobicContact CG1-CG1 4.39Å; V468-I502 HydrophobicContact CG2-CD1 4.13Å; V468-F506 HydrophobicContact CG1-CD2 4.07Å; V468-F506 HydrophobicContact CG1-CE2 3.95Å |
| 469 | V | 94.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 179.9 | 170 | 0 | 0 | 0 | 0 | 111.4 | I465 R471 Q475 Y501 F506 F604 | I465-V469 HydrophobicContact CG2-CG2 4.15Å; I465-V469 WeakPolarHBondContact O-CB 3.34Å; I465-V469 WeakPolarHBondContact O-CG2 3.48Å; I465-V469 PolarHBondContact O-N 3.22Å; V469-R471 VanDerWaalsContact C-N 3.26Å; V469-R471 PolarHBondContact O-N 3Å; V469-Q475 PolarHBondContact O-NE2 3.33Å; V469-Y501 HydrophobicContact CG2-CE1 4.3Å; V469-F506 HydrophobicContact CB-CZ 4.43Å; V469-F506 HydrophobicContact CG2-CE2 3.88Å; V469-F506 HydrophobicContact CG2-CZ 4.06Å; V469-F604 HydrophobicContact CB-CD2 4.06Å; V469-F604 HydrophobicContact CB-CE2 3.84Å; V469-F604 HydrophobicContact CG1-CD2 4.01Å; V469-F604 HydrophobicContact CG1-CE2 3.88Å; V469-F604 HydrophobicContact CG2-CE2 4Å |
| 470 | N | 93.1 | Very high | 93.6 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -0.6 | -176.8 | -72.7 | 22.3 | 0 | 0 | 0 | 115 | Q466 V468 P603 F604 | Q466-N470 VanDerWaalsContact O-CB 3.28Å; Q466-N470 WeakPolarHBondContact O-CB 3.33Å; Q466-N470 VanDerWaalsContact O-CG 3.23Å; Q466-N470 PolarHBondContact O-N 2.9Å; Q466-N470 VanDerWaalsContact O-N 3.1Å; Q466-N470 PolarHBondContact O-OD1 3.1Å; V468-N470 VanDerWaalsContact C-N 3.33Å; V468-N470 PolarHBondContact O-N 3.18Å; N470-P603 WeakPolarHBondContact OD1-CA 3.37Å; N470-F604 PolarHBondContact ND2-O 3.23Å; N470-F604 PolarHBondContact OD1-N 3.46Å |
| 471 | R | 91.8 | Very high | 93.9 | Very high | 70 Ų | 70 | 43.8 Ų | 43.8 | 26% | 0.264 | 21% | 0.207 | S | C | . | . | trans | -140.1 | 97.4 | -169.7 | -64.4 | -66.1 | -178 | -98.8 | -1.1 | 111.5 | Y438 V467 V468 V469 D473 V474 Q475 E606 | Y438-R471 HydrophobicContact CD2-CG 4.4Å; Y438-R471 PolarHBondContact OH-NH2 3.37Å; V467-R471 WeakPolarHBondContact O-CB 3.4Å; V467-R471 WeakPolarHBondContact O-CG 3.5Å; V467-R471 PolarHBondContact O-N 3.23Å; V468-R471 PolarHBondContact O-N 3.3Å; V469-R471 VanDerWaalsContact C-N 3.26Å; V469-R471 PolarHBondContact O-N 3Å; R471-D473 PolarHBondContact O-N 3Å; R471-V474 HydrophobicContact CB-CG2 3.7Å; R471-V474 VanDerWaalsContact O-CG2 3.27Å; R471-V474 WeakPolarHBondContact O-CG2 3.48Å; R471-V474 PolarHBondContact O-N 3.37Å; R471-Q475 WeakPolarHBondContact O-CG 3.44Å; R471-E606 IonicContact NH2-OE1 2.68Å; R471-E606 PolarHBondContact NH2-OE1 3.01Å | ||
| 472 | E | 93.2 | Very high | 94.3 | Very high | 166 Ų | 166 | 43.2 Ų | 43.2 | 78% | 0.776 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -57.5 | -34 | -177.6 | -66.2 | 179.5 | -175.5 | 0 | 0 | 113.8 | V474 Q475 | E472-V474 VanDerWaalsContact C-N 3.25Å; E472-V474 PolarHBondContact O-N 3.33Å; E472-Q475 PolarHBondContact O-N 2.96Å |
| 473 | D | 94.1 | Very high | 94.5 | Very high | 125 Ų | 125 | 39.6 Ų | 39.6 | 67% | 0.668 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -66.8 | -22 | -177 | 61.8 | -48.9 | 0 | 0 | 0 | 114 | R471 | R471-D473 PolarHBondContact O-N 3Å |
| 474 | V | 95.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -105.8 | -11.4 | 179.3 | -60.8 | 0 | 0 | 0 | 0 | 114.2 | R471 E472 Y477 A478 | R471-V474 HydrophobicContact CB-CG2 3.7Å; R471-V474 VanDerWaalsContact O-CG2 3.27Å; R471-V474 WeakPolarHBondContact O-CG2 3.48Å; R471-V474 PolarHBondContact O-N 3.37Å; E472-V474 VanDerWaalsContact C-N 3.25Å; E472-V474 PolarHBondContact O-N 3.33Å; V474-Y477 PolarHBondContact O-N 2.93Å; V474-A478 VanDerWaalsContact O-CB 3.3Å; V474-A478 WeakPolarHBondContact O-CB 3.2Å; V474-A478 PolarHBondContact O-N 3.3Å |
| 475 | Q | 96.5 | Very high | 94.7 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.6 | -53.8 | -174.2 | -74.7 | 167.6 | -3 | 0 | 0 | 113 | V468 V469 R471 E472 Y477 A478 A479 F506 L509 | V468-Q475 HydrophobicContact CG1-CG 4.22Å; V468-Q475 WeakPolarHBondContact O-CG 3.44Å; V469-Q475 PolarHBondContact O-NE2 3.33Å; R471-Q475 WeakPolarHBondContact O-CG 3.44Å; E472-Q475 PolarHBondContact O-N 2.96Å; Q475-Y477 VanDerWaalsContact C-N 3.29Å; Q475-Y477 PolarHBondContact O-N 3.18Å; Q475-A478 PolarHBondContact O-N 3.03Å; Q475-A479 WeakPolarHBondContact O-CB 3.49Å; Q475-A479 PolarHBondContact O-N 2.88Å; Q475-F506 HydrophobicContact CB-CB 4.41Å; Q475-F506 HydrophobicContact CB-CD1 3.98Å; Q475-F506 HydrophobicContact CB-CD2 4.17Å; Q475-F506 HydrophobicContact CB-CE1 4.34Å; Q475-F506 HydrophobicContact CB-CG 3.91Å; Q475-F506 VanDerWaalsContact CD-CZ 3.48Å; Q475-F506 HydrophobicContact CG-CD1 3.88Å; Q475-F506 HydrophobicContact CG-CD2 3.98Å; Q475-F506 HydrophobicContact CG-CE1 3.72Å; Q475-F506 HydrophobicContact CG-CE2 3.81Å; Q475-F506 HydrophobicContact CG-CG 4.03Å; Q475-F506 HydrophobicContact CG-CZ 3.69Å; Q475-F506 VanDerWaalsContact NE2-CE1 3.32Å; Q475-L509 HydrophobicContact CB-CD1 3.89Å |
| 476 | G | 95.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.5 | -36.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K480 | G476-K480 PolarHBondContact O-N 2.85Å |
| 477 | Y | 95.6 | Very high | 94.8 | Very high | 104 Ų | 104 | 46 Ų | 46 | 41% | 0.408 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.6 | -49.5 | 175 | -180 | -105.8 | 0 | 0 | 0 | 111.6 | D443 V474 Q475 A479 K480 T481 | D443-Y477 VanDerWaalsContact OD1-CE1 3.25Å; D443-Y477 WeakPolarHBondContact OD1-CE1 3.46Å; D443-Y477 PolarHBondContact OD1-OH 3.37Å; D443-Y477 PolarHBondContact OD2-OH 2.81Å; V474-Y477 PolarHBondContact O-N 2.93Å; Q475-Y477 VanDerWaalsContact C-N 3.29Å; Q475-Y477 PolarHBondContact O-N 3.18Å; Y477-A479 VanDerWaalsContact C-N 3.31Å; Y477-A479 PolarHBondContact O-N 2.77Å; Y477-K480 WeakPolarHBondContact O-CB 3.45Å; Y477-K480 PolarHBondContact O-N 3.45Å; Y477-K480 VanDerWaalsContact O-N 3.16Å; Y477-T481 PolarHBondContact O-N 2.77Å; Y477-T481 PolarHBondContact O-OG1 3.35Å; Y477-T481 VanDerWaalsContact O-OG1 3.09Å |
| 478 | A | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V442 V468 V474 Q475 K480 T481 V482 I502 | V442-A478 HydrophobicContact CG1-CB 4.07Å; V468-A478 HydrophobicContact CG1-CB 3.82Å; V468-A478 HydrophobicContact CG2-CB 3.78Å; V474-A478 VanDerWaalsContact O-CB 3.3Å; V474-A478 WeakPolarHBondContact O-CB 3.2Å; V474-A478 PolarHBondContact O-N 3.3Å; Q475-A478 PolarHBondContact O-N 3.03Å; A478-K480 PolarHBondContact O-N 2.81Å; A478-T481 PolarHBondContact O-N 3.09Å; A478-V482 WeakPolarHBondContact O-CG2 3.1Å; A478-V482 PolarHBondContact O-N 2.86Å; A478-I502 HydrophobicContact CB-CD1 4.32Å; A478-I502 HydrophobicContact CB-CG2 4.45Å |
| 479 | A | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q475 Y477 V482 F483 I502 L503 F506 I510 | Q475-A479 WeakPolarHBondContact O-CB 3.49Å; Q475-A479 PolarHBondContact O-N 2.88Å; Y477-A479 VanDerWaalsContact C-N 3.31Å; Y477-A479 PolarHBondContact O-N 2.77Å; A479-V482 WeakPolarHBondContact O-CG2 3.08Å; A479-F483 VanDerWaalsContact O-CB 3.28Å; A479-F483 WeakPolarHBondContact O-CB 3.43Å; A479-F483 PolarHBondContact O-N 3.01Å; A479-I502 HydrophobicContact CB-CG2 4.09Å; A479-L503 HydrophobicContact CB-CD2 4.33Å; A479-F506 HydrophobicContact CB-CB 4.34Å; A479-I510 HydrophobicContact CB-CD1 4.34Å; A479-I510 HydrophobicContact CB-CG2 4.15Å |
| 480 | K | 96.2 | Very high | 93.2 | Very high | 113 Ų | 113 | 59.2 Ų | 59.2 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 175 | -175.4 | 179.3 | 174.3 | -178 | 0 | 111.8 | G476 Y477 A478 F483 E484 I510 | G476-K480 PolarHBondContact O-N 2.85Å; Y477-K480 WeakPolarHBondContact O-CB 3.45Å; Y477-K480 PolarHBondContact O-N 3.45Å; Y477-K480 VanDerWaalsContact O-N 3.16Å; A478-K480 PolarHBondContact O-N 2.81Å; K480-F483 WeakPolarHBondContact O-CB 3.43Å; K480-F483 PolarHBondContact O-N 3.42Å; K480-E484 WeakPolarHBondContact CE-OE1 3.48Å; K480-E484 WeakPolarHBondContact O-CG 3.35Å; K480-E484 PolarHBondContact O-N 3.22Å; K480-I510 HydrophobicContact CB-CG2 4.17Å |
| 481 | T | 94.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 59.2 Ų | 59.2 | 17% | 0.172 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -41.8 | -177 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | L446 Y477 A478 E484 A485 | L446-T481 HydrophobicContact CD1-CG2 3.62Å; Y477-T481 PolarHBondContact O-N 2.77Å; Y477-T481 PolarHBondContact O-OG1 3.35Å; Y477-T481 VanDerWaalsContact O-OG1 3.09Å; A478-T481 PolarHBondContact O-N 3.09Å; T481-E484 PolarHBondContact O-N 3.24Å; T481-A485 WeakPolarHBondContact O-CB 3.48Å; T481-A485 PolarHBondContact O-N 2.98Å |
| 482 | V | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.8 | -36.1 | 175.2 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | L446 A478 A479 E484 A485 L486 V498 I502 L503 | L446-V482 HydrophobicContact CD1-CG1 3.75Å; L446-V482 HydrophobicContact CD2-CG1 3.78Å; L446-V482 HydrophobicContact CG-CG1 4.44Å; A478-V482 WeakPolarHBondContact O-CG2 3.1Å; A478-V482 PolarHBondContact O-N 2.86Å; A479-V482 WeakPolarHBondContact O-CG2 3.08Å; V482-E484 PolarHBondContact O-N 3.23Å; V482-A485 PolarHBondContact O-N 2.93Å; V482-L486 WeakPolarHBondContact O-CB 3.47Å; V482-L486 WeakPolarHBondContact O-CG 3.36Å; V482-L486 PolarHBondContact O-N 2.8Å; V482-V498 HydrophobicContact CG1-CG1 4.16Å; V482-I502 HydrophobicContact CG1-CD1 3.98Å; V482-I502 HydrophobicContact CG2-CB 4.14Å; V482-I502 HydrophobicContact CG2-CG2 3.94Å; V482-L503 HydrophobicContact CG2-CD2 4.2Å; V482-L503 HydrophobicContact CG2-CG 4.14Å |
| 483 | F | 96.7 | Very high | 92.8 | Very high | 10 Ų | 10 | 54 Ų | 54 | 4% | 0.044 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 175.1 | 178.1 | -103.1 | 0 | 0 | 0 | 111.1 | A479 K480 L486 Q487 L503 I510 R515 V520 Q521 L524 | A479-F483 VanDerWaalsContact O-CB 3.28Å; A479-F483 WeakPolarHBondContact O-CB 3.43Å; A479-F483 PolarHBondContact O-N 3.01Å; K480-F483 WeakPolarHBondContact O-CB 3.43Å; K480-F483 PolarHBondContact O-N 3.42Å; F483-L486 PolarHBondContact O-N 2.74Å; F483-Q487 WeakPolarHBondContact O-CG 3.42Å; F483-Q487 PolarHBondContact O-N 3.13Å; F483-L503 HydrophobicContact CB-CD2 4.32Å; F483-L503 HydrophobicContact CD2-CD1 4.41Å; F483-I510 HydrophobicContact CB-CD1 3.89Å; F483-I510 HydrophobicContact CG-CD1 4.14Å; F483-R515 VanDerWaalsContact CZ-O 3.28Å; F483-R515 WeakPolarHBondContact CZ-O 3.45Å; F483-V520 HydrophobicContact CE2-CG1 4.33Å; F483-V520 HydrophobicContact CZ-CG1 3.94Å; F483-Q521 HydrophobicContact CD2-CG 4.12Å; F483-Q521 HydrophobicContact CE2-CG 3.98Å; F483-L524 HydrophobicContact CD2-CD2 3.62Å; F483-L524 HydrophobicContact CE2-CD2 3.52Å; F483-L524 HydrophobicContact CG-CD2 4.43Å; F483-L524 HydrophobicContact CZ-CD2 4.28Å |
| 484 | E | 94.4 | Very high | 92.7 | Very high | 104 Ų | 104 | 48.8 Ų | 48.8 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 174.5 | -69.9 | 175.3 | -174.8 | 0 | 0 | 111.8 | K480 T481 V482 L486 Q487 | K480-E484 WeakPolarHBondContact CE-OE1 3.48Å; K480-E484 WeakPolarHBondContact O-CG 3.35Å; K480-E484 PolarHBondContact O-N 3.22Å; T481-E484 PolarHBondContact O-N 3.24Å; V482-E484 PolarHBondContact O-N 3.23Å; E484-L486 VanDerWaalsContact C-N 3.34Å; E484-L486 PolarHBondContact O-N 3.27Å; E484-Q487 WeakPolarHBondContact O-CB 3.27Å; E484-Q487 PolarHBondContact O-N 3.03Å |
| 485 | A | 92.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.5 | -34.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T481 V482 Q487 A488 M495 | T481-A485 WeakPolarHBondContact O-CB 3.48Å; T481-A485 PolarHBondContact O-N 2.98Å; V482-A485 PolarHBondContact O-N 2.93Å; A485-Q487 VanDerWaalsContact C-N 3.26Å; A485-Q487 PolarHBondContact O-N 3.38Å; A485-A488 WeakPolarHBondContact O-CB 3.39Å; A485-A488 PolarHBondContact O-N 2.68Å; A485-M495 HydrophobicContact CB-CE 4.08Å; A485-M495 HydrophobicContact CB-CG 4.26Å; A485-M495 HydrophobicContact CB-SD 3.96Å |
| 486 | L | 94.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.1 | -22 | 176.8 | -74.4 | 169 | 0 | 0 | 0 | 113 | V482 F483 E484 A488 M495 V496 L503 L524 L525 | V482-L486 WeakPolarHBondContact O-CB 3.47Å; V482-L486 WeakPolarHBondContact O-CG 3.36Å; V482-L486 PolarHBondContact O-N 2.8Å; F483-L486 PolarHBondContact O-N 2.74Å; E484-L486 VanDerWaalsContact C-N 3.34Å; E484-L486 PolarHBondContact O-N 3.27Å; L486-A488 PolarHBondContact O-N 2.83Å; L486-M495 HydrophobicContact CD2-CG 4.44Å; L486-V496 HydrophobicContact CD2-CG2 4.2Å; L486-L503 HydrophobicContact CD1-CD1 3.83Å; L486-L524 HydrophobicContact CB-CD1 4.46Å; L486-L524 HydrophobicContact CB-CD2 3.7Å; L486-L524 HydrophobicContact CB-CG 4.04Å; L486-L525 HydrophobicContact CD1-CD2 3.7Å |
| 487 | Q | 93.7 | Very high | 92.7 | Very high | 113 Ų | 113 | 47 Ų | 47 | 53% | 0.528 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.4 | 176.6 | -66 | 177.1 | 0.9 | 0 | 0 | 113.3 | F483 E484 A485 L524 | F483-Q487 WeakPolarHBondContact O-CG 3.42Å; F483-Q487 PolarHBondContact O-N 3.13Å; E484-Q487 WeakPolarHBondContact O-CB 3.27Å; E484-Q487 PolarHBondContact O-N 3.03Å; A485-Q487 VanDerWaalsContact C-N 3.26Å; A485-Q487 PolarHBondContact O-N 3.38Å; Q487-L524 HydrophobicContact CG-CD1 4.24Å; Q487-L524 HydrophobicContact CG-CD2 3.89Å |
| 488 | A | 88.4 | Confident | 92.7 | Very high | 46 Ų | 46 | 42 Ų | 42 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -63.6 | 137 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A485 L486 C490 | A485-A488 WeakPolarHBondContact O-CB 3.39Å; A485-A488 PolarHBondContact O-N 2.68Å; L486-A488 PolarHBondContact O-N 2.83Å; A488-C490 PolarHBondContact O-N 2.89Å; A488-C490 VanDerWaalsContact O-N 3.14Å |
| 489 | S | 80.1 | Confident | 92.7 | Very high | 135 Ų | 135 | 42 Ų | 42 | 94% | 0.944 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -60.7 | -25.4 | -178.8 | 55 | 0 | 0 | 0 | 0 | 114.1 | ||
| 490 | C | 79.1 | Confident | 92.7 | Very high | 119 Ų | 119 | 42 Ų | 42 | 80% | 0.804 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -122.3 | 83.3 | 176.1 | -170.3 | 0 | 0 | 0 | 0 | 109.1 | A488 | A488-C490 PolarHBondContact O-N 2.89Å; A488-C490 VanDerWaalsContact O-N 3.14Å |
| 491 | C | 86.5 | Confident | 92.7 | Very high | 35 Ų | 35 | 39 Ų | 39 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | trans | -98.1 | 120 | 177.9 | -163.4 | 0 | 0 | 0 | 0 | 109.9 | M495 | C491-M495 VanDerWaalsContact SG-CB 3.58Å; C491-M495 VanDerWaalsContact SG-CG 3.5Å | ||
| 492 | H | 90.7 | Very high | 92.9 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | trans | -69.7 | 147.3 | 177.9 | -174 | -93.3 | 0 | 0 | 0 | 111.1 | G453 E454 N494 M495 V496 | G453-H492 WeakPolarHBondContact CA-ND1 3.31Å; G453-H492 PolarHBondContact O-CE1 3.39Å; E454-H492 PolarHBondContact N-CE1 2.94Å; E454-H492 PolarHBondContact N-NE2 3.38Å; H492-N494 WeakPolarHBondContact ND1-CB 3.26Å; H492-N494 PolarHBondContact ND1-N 2.97Å; H492-N494 VanDerWaalsContact ND1-N 3.12Å; H492-N494 PolarHBondContact O-N 3.04Å; H492-N494 VanDerWaalsContact O-N 3.14Å; H492-M495 WeakPolarHBondContact O-CA 3.24Å; H492-M495 WeakPolarHBondContact O-CB 3.5Å; H492-M495 PolarHBondContact O-N 2.94Å; H492-V496 PolarHBondContact O-N 3.38Å | ||
| 493 | E | 92.5 | Very high | 92.9 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55 | -36.7 | -177 | -172.6 | 172.8 | -171.5 | 0 | 0 | 113.3 | M495 V496 K497 S533 T536 | E493-M495 VanDerWaalsContact C-N 3.28Å; E493-M495 PolarHBondContact O-N 3.48Å; E493-V496 CarbonylContact O-C 3.59Å; E493-V496 WeakPolarHBondContact O-CA 3.32Å; E493-V496 WeakPolarHBondContact O-CB 3.37Å; E493-V496 PolarHBondContact O-N 3.29Å; E493-K497 WeakPolarHBondContact O-CG 3.42Å; E493-K497 PolarHBondContact O-N 3.35Å; E493-S533 WeakPolarHBondContact OE1-CB 3.45Å; E493-S533 PolarHBondContact OE1-N 3.29Å; E493-S533 PolarHBondContact OE1-OG 3.02Å; E493-T536 VanDerWaalsContact CD-OG1 3.3Å; E493-T536 HydrophobicContact CG-CG2 4.02Å; E493-T536 WeakPolarHBondContact CG-OG1 3.48Å; E493-T536 WeakPolarHBondContact OE1-CB 3.5Å; E493-T536 PolarHBondContact OE1-OG1 3.46Å |
| 494 | N | 92.7 | Very high | 92.9 | Very high | 17 Ų | 17 | 37.4 Ų | 37.4 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -35.6 | 173.9 | -72.6 | -17.3 | 0 | 0 | 0 | 113.2 | I449 G453 V456 H492 V496 K497 V498 | I449-N494 HydrophobicContact CG2-CB 3.92Å; G453-N494 PolarHBondContact O-ND2 3.1Å; V456-N494 PolarHBondContact O-ND2 2.91Å; H492-N494 WeakPolarHBondContact ND1-CB 3.26Å; H492-N494 PolarHBondContact ND1-N 2.97Å; H492-N494 VanDerWaalsContact ND1-N 3.12Å; H492-N494 PolarHBondContact O-N 3.04Å; H492-N494 VanDerWaalsContact O-N 3.14Å; N494-V496 VanDerWaalsContact C-N 3.35Å; N494-K497 PolarHBondContact O-N 2.94Å; N494-V498 WeakPolarHBondContact O-CG2 3.15Å; N494-V498 PolarHBondContact O-N 3.33Å; N494-V498 VanDerWaalsContact O-N 3.09Å |
| 495 | M | 95.1 | Very high | 93 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.5 | -35.2 | 173.8 | -176 | 60.1 | 74.1 | 0 | 0 | 110.8 | L446 I449 R450 A485 L486 C491 H492 E493 V498 G499 | L446-M495 HydrophobicContact CB-CE 4.44Å; L446-M495 HydrophobicContact CD2-CE 4.47Å; L446-M495 HydrophobicContact CD2-SD 4.43Å; L446-M495 WeakPolarHBondContact O-CE 3.37Å; I449-M495 HydrophobicContact CB-CE 3.96Å; I449-M495 HydrophobicContact CG2-CB 3.93Å; I449-M495 HydrophobicContact CG2-CE 3.91Å; R450-M495 HydrophobicContact CB-CE 4.1Å; A485-M495 HydrophobicContact CB-CE 4.08Å; A485-M495 HydrophobicContact CB-CG 4.26Å; A485-M495 HydrophobicContact CB-SD 3.96Å; L486-M495 HydrophobicContact CD2-CG 4.44Å; C491-M495 VanDerWaalsContact SG-CB 3.58Å; C491-M495 VanDerWaalsContact SG-CG 3.5Å; H492-M495 WeakPolarHBondContact O-CA 3.24Å; H492-M495 WeakPolarHBondContact O-CB 3.5Å; H492-M495 PolarHBondContact O-N 2.94Å; E493-M495 VanDerWaalsContact C-N 3.28Å; E493-M495 PolarHBondContact O-N 3.48Å; M495-V498 PolarHBondContact O-N 3.08Å; M495-G499 PolarHBondContact O-N 3.16Å |
| 496 | V | 95.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 171.8 | -177 | 0 | 0 | 0 | 0 | 111 | L486 H492 E493 N494 A500 T528 T536 L540 | L486-V496 HydrophobicContact CD2-CG2 4.2Å; H492-V496 PolarHBondContact O-N 3.38Å; E493-V496 CarbonylContact O-C 3.59Å; E493-V496 WeakPolarHBondContact O-CA 3.32Å; E493-V496 WeakPolarHBondContact O-CB 3.37Å; E493-V496 PolarHBondContact O-N 3.29Å; N494-V496 VanDerWaalsContact C-N 3.35Å; V496-A500 WeakPolarHBondContact O-CB 3.42Å; V496-A500 PolarHBondContact O-N 3.31Å; V496-T528 WeakPolarHBondContact CG1-OG1 3.37Å; V496-T528 HydrophobicContact CG2-CG2 4.28Å; V496-T536 HydrophobicContact CB-CG2 4.46Å; V496-T536 HydrophobicContact CG1-CG2 4.05Å; V496-L540 HydrophobicContact CG1-CD1 4.17Å; V496-L540 HydrophobicContact CG1-CD2 4.14Å; V496-L540 HydrophobicContact CG1-CG 4.46Å |
| 497 | K | 95.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.7 | -50 | 175.9 | -62.5 | -172.8 | -171.3 | -174 | 0 | 111.6 | E458 W461 E493 N494 Y501 T536 I539 | E458-K497 IonicContact OE1-NZ 3.16Å; W461-K497 HydrophobicContact CE3-CB 4.45Å; W461-K497 HydrophobicContact CH2-CB 4.3Å; W461-K497 HydrophobicContact CH2-CD 4.23Å; W461-K497 HydrophobicContact CZ2-CB 4.4Å; W461-K497 HydrophobicContact CZ2-CD 3.64Å; W461-K497 HydrophobicContact CZ3-CB 4.35Å; E493-K497 WeakPolarHBondContact O-CG 3.42Å; E493-K497 PolarHBondContact O-N 3.35Å; N494-K497 PolarHBondContact O-N 2.94Å; K497-Y501 PolarHBondContact O-N 3.08Å; K497-Y501 VanDerWaalsContact O-N 3.11Å; K497-T536 WeakPolarHBondContact CE-OG1 3.47Å; K497-T536 HydrophobicContact CG-CG2 4.01Å; K497-I539 HydrophobicContact CB-CD1 4.16Å; K497-I539 HydrophobicContact CD-CD1 4.07Å; K497-I539 HydrophobicContact CG-CD1 3.94Å |
| 498 | V | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.3 | -49.1 | 180 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | L446 I449 W461 V464 I465 V482 N494 M495 A500 Y501 I502 | L446-V498 HydrophobicContact CD2-CG1 3.89Å; I449-V498 HydrophobicContact CD1-CG2 3.95Å; W461-V498 HydrophobicContact CB-CG2 3.59Å; W461-V498 HydrophobicContact CE3-CG2 4.19Å; W461-V498 HydrophobicContact CG-CG2 4.34Å; V464-V498 HydrophobicContact CG1-CG1 3.96Å; V464-V498 HydrophobicContact CG1-CG2 4.02Å; I465-V498 HydrophobicContact CD1-CB 4.49Å; I465-V498 HydrophobicContact CD1-CG1 3.98Å; V482-V498 HydrophobicContact CG1-CG1 4.16Å; N494-V498 WeakPolarHBondContact O-CG2 3.15Å; N494-V498 PolarHBondContact O-N 3.33Å; N494-V498 VanDerWaalsContact O-N 3.09Å; M495-V498 PolarHBondContact O-N 3.08Å; V498-A500 PolarHBondContact O-N 2.92Å; V498-Y501 PolarHBondContact O-N 3.07Å; V498-I502 HydrophobicContact CG1-CD1 3.65Å; V498-I502 HydrophobicContact CG1-CG1 4.26Å; V498-I502 WeakPolarHBondContact O-CB 3.47Å; V498-I502 WeakPolarHBondContact O-CG1 3.34Å; V498-I502 PolarHBondContact O-N 3.08Å |
| 499 | G | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M495 L503 | M495-G499 PolarHBondContact O-N 3.16Å; G499-L503 VanDerWaalsContact O-CB 3.23Å; G499-L503 WeakPolarHBondContact O-CB 3.42Å; G499-L503 WeakPolarHBondContact O-CG 3.49Å; G499-L503 PolarHBondContact O-N 2.98Å |
| 500 | A | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V496 V498 G504 L525 I539 L540 T543 | V496-A500 WeakPolarHBondContact O-CB 3.42Å; V496-A500 PolarHBondContact O-N 3.31Å; V498-A500 PolarHBondContact O-N 2.92Å; A500-G504 PolarHBondContact O-N 3.26Å; A500-L525 HydrophobicContact CB-CD2 4.12Å; A500-I539 HydrophobicContact CB-CG2 4.05Å; A500-L540 HydrophobicContact CB-CD2 3.66Å; A500-L540 HydrophobicContact CB-CG 4.38Å; A500-T543 VanDerWaalsContact C-OG1 3.23Å; A500-T543 WeakPolarHBondContact O-CG2 3.32Å; A500-T543 PolarHBondContact O-OG1 3.24Å |
| 501 | Y | 96.8 | Very high | 95.3 | Very high | 51 Ų | 51 | 21.5 Ų | 21.5 | 20% | 0.2 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.9 | -53.1 | 178.5 | -159.1 | -66.3 | 0 | 0 | 0 | 110.9 | I465 V469 K497 V498 L503 G504 E505 | I465-Y501 HydrophobicContact CD1-CD1 4.07Å; I465-Y501 HydrophobicContact CD1-CG 4.04Å; I465-Y501 HydrophobicContact CG1-CD1 4.45Å; I465-Y501 HydrophobicContact CG1-CG 4.31Å; I465-Y501 HydrophobicContact CG2-CD1 3.51Å; I465-Y501 HydrophobicContact CG2-CD2 4.4Å; I465-Y501 HydrophobicContact CG2-CE1 3.42Å; I465-Y501 VanDerWaalsContact CG2-CE1 3.42Å; I465-Y501 HydrophobicContact CG2-CE2 4.33Å; I465-Y501 HydrophobicContact CG2-CG 4.02Å; V469-Y501 HydrophobicContact CG2-CE1 4.3Å; K497-Y501 PolarHBondContact O-N 3.08Å; K497-Y501 VanDerWaalsContact O-N 3.11Å; V498-Y501 PolarHBondContact O-N 3.07Å; Y501-L503 PolarHBondContact O-N 2.96Å; Y501-G504 PolarHBondContact O-N 3.12Å; Y501-G504 VanDerWaalsContact O-N 3.14Å; Y501-E505 HydrophobicContact CD1-CG 3.93Å; Y501-E505 HydrophobicContact CE1-CG 3.81Å; Y501-E505 PolarHBondContact O-N 3.33Å; Y501-E505 VanDerWaalsContact O-N 3.09Å |
| 502 | I | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | -177.8 | -68 | -178.9 | 0 | 0 | 0 | 111.4 | I465 V468 A478 A479 V482 V498 G504 E505 F506 | I465-I502 HydrophobicContact CD1-CD1 4.01Å; I465-I502 HydrophobicContact CD1-CG1 3.49Å; I465-I502 VanDerWaalsContact CD1-CG1 3.49Å; V468-I502 HydrophobicContact CB-CD1 4.44Å; V468-I502 HydrophobicContact CG1-CD1 4.27Å; V468-I502 HydrophobicContact CG1-CG1 4.39Å; V468-I502 HydrophobicContact CG2-CD1 4.13Å; A478-I502 HydrophobicContact CB-CD1 4.32Å; A478-I502 HydrophobicContact CB-CG2 4.45Å; A479-I502 HydrophobicContact CB-CG2 4.09Å; V482-I502 HydrophobicContact CG1-CD1 3.98Å; V482-I502 HydrophobicContact CG2-CB 4.14Å; V482-I502 HydrophobicContact CG2-CG2 3.94Å; V498-I502 HydrophobicContact CG1-CD1 3.65Å; V498-I502 HydrophobicContact CG1-CG1 4.26Å; V498-I502 WeakPolarHBondContact O-CB 3.47Å; V498-I502 WeakPolarHBondContact O-CG1 3.34Å; V498-I502 PolarHBondContact O-N 3.08Å; I502-G504 VanDerWaalsContact C-N 3.32Å; I502-E505 PolarHBondContact O-N 3.04Å; I502-F506 HydrophobicContact CG2-CD2 4.35Å; I502-F506 WeakPolarHBondContact O-CA 3.47Å; I502-F506 WeakPolarHBondContact O-CB 3.36Å; I502-F506 PolarHBondContact O-N 2.71Å |
| 503 | L | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.2 | -34.4 | 177.2 | -65.3 | 177.9 | 0 | 0 | 0 | 111.5 | A479 V482 F483 L486 G499 Y501 E505 G507 I510 L525 F547 | A479-L503 HydrophobicContact CB-CD2 4.33Å; V482-L503 HydrophobicContact CG2-CD2 4.2Å; V482-L503 HydrophobicContact CG2-CG 4.14Å; F483-L503 HydrophobicContact CB-CD2 4.32Å; F483-L503 HydrophobicContact CD2-CD1 4.41Å; L486-L503 HydrophobicContact CD1-CD1 3.83Å; G499-L503 VanDerWaalsContact O-CB 3.23Å; G499-L503 WeakPolarHBondContact O-CB 3.42Å; G499-L503 WeakPolarHBondContact O-CG 3.49Å; G499-L503 PolarHBondContact O-N 2.98Å; Y501-L503 PolarHBondContact O-N 2.96Å; L503-E505 VanDerWaalsContact C-N 3.31Å; L503-E505 PolarHBondContact O-N 2.95Å; L503-G507 WeakPolarHBondContact O-CA 3.34Å; L503-G507 PolarHBondContact O-N 3.01Å; L503-I510 HydrophobicContact CD2-CD1 3.81Å; L503-L525 HydrophobicContact CB-CD1 4.47Å; L503-L525 HydrophobicContact CD1-CD1 4.23Å; L503-L525 HydrophobicContact CD1-CD2 4.39Å; L503-L525 HydrophobicContact CD1-CG 4.33Å; L503-F547 HydrophobicContact CB-CZ 4.18Å; L503-F547 VanDerWaalsContact O-CE1 3.29Å; L503-F547 WeakPolarHBondContact O-CE1 3.27Å |
| 504 | G | 96.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -34.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | A500 Y501 I502 K546 | A500-G504 PolarHBondContact O-N 3.26Å; Y501-G504 PolarHBondContact O-N 3.12Å; Y501-G504 VanDerWaalsContact O-N 3.14Å; I502-G504 VanDerWaalsContact C-N 3.32Å; G504-K546 WeakPolarHBondContact O-CB 3.44Å; G504-K546 WeakPolarHBondContact O-CD 3.46Å |
| 505 | E | 95.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -86.4 | -46.4 | 175.1 | -55.9 | -57.4 | 148.2 | 0 | 0 | 112.3 | Y501 I502 L503 K546 E600 M601 | Y501-E505 HydrophobicContact CD1-CG 3.93Å; Y501-E505 HydrophobicContact CE1-CG 3.81Å; Y501-E505 PolarHBondContact O-N 3.33Å; Y501-E505 VanDerWaalsContact O-N 3.09Å; I502-E505 PolarHBondContact O-N 3.04Å; L503-E505 VanDerWaalsContact C-N 3.31Å; L503-E505 PolarHBondContact O-N 2.95Å; E505-K546 WeakPolarHBondContact OE1-CE 3.31Å; E505-K546 IonicContact OE1-NZ 2.65Å; E505-K546 PolarHBondContact OE1-NZ 3.5Å; E505-K546 IonicContact OE2-NZ 2.77Å; E505-K546 PolarHBondContact OE2-NZ 2.9Å; E505-E600 WeakPolarHBondContact OE2-CA 3.39Å; E505-M601 WeakPolarHBondContact OE1-CG 3.38Å; E505-M601 PolarHBondContact OE2-N 3.27Å; E505-M601 VanDerWaalsContact OE2-N 3.1Å |
| 506 | F | 96.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -122.2 | 9.7 | -163.2 | -52.4 | -58.9 | 0 | 0 | 0 | 114.4 | V468 V469 Q475 A479 I502 N508 L509 | V468-F506 HydrophobicContact CG1-CD2 4.07Å; V468-F506 HydrophobicContact CG1-CE2 3.95Å; V469-F506 HydrophobicContact CB-CZ 4.43Å; V469-F506 HydrophobicContact CG2-CE2 3.88Å; V469-F506 HydrophobicContact CG2-CZ 4.06Å; Q475-F506 HydrophobicContact CB-CB 4.41Å; Q475-F506 HydrophobicContact CB-CD1 3.98Å; Q475-F506 HydrophobicContact CB-CD2 4.17Å; Q475-F506 HydrophobicContact CB-CE1 4.34Å; Q475-F506 HydrophobicContact CB-CG 3.91Å; Q475-F506 VanDerWaalsContact CD-CZ 3.48Å; Q475-F506 HydrophobicContact CG-CD1 3.88Å; Q475-F506 HydrophobicContact CG-CD2 3.98Å; Q475-F506 HydrophobicContact CG-CE1 3.72Å; Q475-F506 HydrophobicContact CG-CE2 3.81Å; Q475-F506 HydrophobicContact CG-CG 4.03Å; Q475-F506 HydrophobicContact CG-CZ 3.69Å; Q475-F506 VanDerWaalsContact NE2-CE1 3.32Å; A479-F506 HydrophobicContact CB-CB 4.34Å; I502-F506 HydrophobicContact CG2-CD2 4.35Å; I502-F506 WeakPolarHBondContact O-CA 3.47Å; I502-F506 WeakPolarHBondContact O-CB 3.36Å; I502-F506 PolarHBondContact O-N 2.71Å; F506-N508 WeakPolarHBondContact CA-OD1 3.38Å; F506-N508 PolarHBondContact O-N 3.48Å; F506-N508 PolarHBondContact O-OD1 3.49Å; F506-L509 HydrophobicContact CB-CD1 4.1Å; F506-L509 HydrophobicContact CB-CG 4.48Å; F506-L509 HydrophobicContact CD1-CD1 4.49Å; F506-L509 WeakPolarHBondContact O-CB 3.25Å; F506-L509 PolarHBondContact O-N 2.96Å; F506-L509 VanDerWaalsContact O-N 3.07Å |
| 507 | G | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -63.5 | -22.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L503 L509 I510 A511 Q521 | L503-G507 WeakPolarHBondContact O-CA 3.34Å; L503-G507 PolarHBondContact O-N 3.01Å; G507-L509 VanDerWaalsContact C-N 3.25Å; G507-L509 PolarHBondContact O-N 3.01Å; G507-I510 WeakPolarHBondContact O-CG1 3.43Å; G507-I510 PolarHBondContact O-N 3.34Å; G507-A511 PolarHBondContact O-N 3.38Å; G507-A511 VanDerWaalsContact O-N 3.16Å; G507-Q521 PolarHBondContact O-NE2 3.35Å |
| 508 | N | 96.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 36.9 Ų | 36.9 | 31% | 0.31 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -59.2 | -33.8 | 171.4 | 60.7 | -34.7 | 0 | 0 | 0 | 112.3 | F506 I510 A511 F551 | F506-N508 WeakPolarHBondContact CA-OD1 3.38Å; F506-N508 PolarHBondContact O-N 3.48Å; F506-N508 PolarHBondContact O-OD1 3.49Å; N508-I510 PolarHBondContact O-N 3.47Å; N508-A511 PolarHBondContact O-N 3Å; N508-F551 HydrophobicContact CB-CE1 4.29Å; N508-F551 HydrophobicContact CB-CZ 4.21Å |
| 509 | L | 96.8 | Very high | 96.3 | Very high | 93 Ų | 93 | 39 Ų | 39 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -67.2 | -22.3 | -178.9 | -57.6 | -177.4 | 0 | 0 | 0 | 113.3 | Q475 F506 G507 | Q475-L509 HydrophobicContact CB-CD1 3.89Å; F506-L509 HydrophobicContact CB-CD1 4.1Å; F506-L509 HydrophobicContact CB-CG 4.48Å; F506-L509 HydrophobicContact CD1-CD1 4.49Å; F506-L509 WeakPolarHBondContact O-CB 3.25Å; F506-L509 PolarHBondContact O-N 2.96Å; F506-L509 VanDerWaalsContact O-N 3.07Å; G507-L509 VanDerWaalsContact C-N 3.25Å; G507-L509 PolarHBondContact O-N 3.01Å |
| 510 | I | 96.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 11% | 0.108 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -112.8 | -0.3 | 178.3 | 66 | 169.4 | 0 | 0 | 0 | 113.1 | A479 K480 F483 L503 G507 N508 G512 D513 S516 | A479-I510 HydrophobicContact CB-CD1 4.34Å; A479-I510 HydrophobicContact CB-CG2 4.15Å; K480-I510 HydrophobicContact CB-CG2 4.17Å; F483-I510 HydrophobicContact CB-CD1 3.89Å; F483-I510 HydrophobicContact CG-CD1 4.14Å; L503-I510 HydrophobicContact CD2-CD1 3.81Å; G507-I510 WeakPolarHBondContact O-CG1 3.43Å; G507-I510 PolarHBondContact O-N 3.34Å; N508-I510 PolarHBondContact O-N 3.47Å; I510-G512 PolarHBondContact O-N 3.47Å; I510-D513 PolarHBondContact O-N 3.32Å; I510-S516 PolarHBondContact O-OG 3.2Å |
| 511 | A | 95.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | G507 N508 D513 P518 F551 | G507-A511 PolarHBondContact O-N 3.38Å; G507-A511 VanDerWaalsContact O-N 3.16Å; N508-A511 PolarHBondContact O-N 3Å; A511-D513 VanDerWaalsContact C-N 3.32Å; A511-D513 PolarHBondContact O-N 3.45Å; A511-P518 HydrophobicContact CB-CG 3.98Å; A511-F551 HydrophobicContact CB-CE1 3.67Å; A511-F551 HydrophobicContact CB-CZ 3.86Å |
| 512 | G | 93.5 | Very high | 96.4 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 83% | 0.825 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -20.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I510 | I510-G512 PolarHBondContact O-N 3.47Š|
| 513 | D | 94.7 | Very high | 96.4 | Very high | 73 Ų | 73 | 46.8 Ų | 46.8 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -83.5 | 125.8 | 173.3 | -174.2 | -33.3 | 0 | 0 | 0 | 109.3 | I510 A511 R515 S516 S517 | I510-D513 PolarHBondContact O-N 3.32Å; A511-D513 VanDerWaalsContact C-N 3.32Å; A511-D513 PolarHBondContact O-N 3.45Å; D513-R515 PolarHBondContact O-N 3.42Å; D513-R515 WeakPolarHBondContact OD1-CB 3.37Å; D513-R515 WeakPolarHBondContact OD1-CG 3.21Å; D513-R515 PolarHBondContact OD1-N 2.95Å; D513-S516 CarbonylContact O-C 3.59Å; D513-S516 VanDerWaalsContact O-C 3.25Å; D513-S516 PolarHBondContact O-N 2.87Å; D513-S517 PolarHBondContact O-N 3Å |
| 514 | P | 94.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 48 Ų | 48 | 70% | 0.701 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -51.2 | -31.1 | 177.1 | -28.3 | 35.1 | 0 | 0 | 0 | 114.5 | S516 S517 | P514-S516 VanDerWaalsContact C-N 3.3Å; P514-S516 PolarHBondContact O-N 3.12Å; P514-S517 PolarHBondContact O-N 2.69Å; P514-S517 PolarHBondContact O-OG 3.4Å |
| 515 | R | 95 | Very high | 96.4 | Very high | 197 Ų | 197 | 48 Ų | 48 | 74% | 0.743 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -72.3 | -22.6 | 179.6 | -57.4 | 177.4 | -150.4 | -175.6 | 6 | 113.1 | F483 D513 V520 | F483-R515 VanDerWaalsContact CZ-O 3.28Å; F483-R515 WeakPolarHBondContact CZ-O 3.45Å; D513-R515 PolarHBondContact O-N 3.42Å; D513-R515 WeakPolarHBondContact OD1-CB 3.37Å; D513-R515 WeakPolarHBondContact OD1-CG 3.21Å; D513-R515 PolarHBondContact OD1-N 2.95Å; R515-V520 WeakPolarHBondContact O-CG1 3.36Å |
| 516 | S | 96.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -123.5 | 30.9 | 175.6 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | I510 D513 P514 Q521 | I510-S516 PolarHBondContact O-OG 3.2Å; D513-S516 CarbonylContact O-C 3.59Å; D513-S516 VanDerWaalsContact O-C 3.25Å; D513-S516 PolarHBondContact O-N 2.87Å; P514-S516 VanDerWaalsContact C-N 3.3Å; P514-S516 PolarHBondContact O-N 3.12Å; S516-Q521 WeakPolarHBondContact O-CG 3.31Å; S516-Q521 PolarHBondContact O-NE2 2.83Å |
| 517 | S | 97.2 | Very high | 96.3 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | trans | -57.3 | 156.2 | 174.2 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | D513 P514 L519 V520 Q521 | D513-S517 PolarHBondContact O-N 3Å; P514-S517 PolarHBondContact O-N 2.69Å; P514-S517 PolarHBondContact O-OG 3.4Å; S517-L519 PolarHBondContact O-N 3.21Å; S517-L519 VanDerWaalsContact O-N 3.11Å; S517-V520 WeakPolarHBondContact O-CA 3.46Å; S517-V520 WeakPolarHBondContact O-CB 3.34Å; S517-V520 PolarHBondContact O-N 3.15Å; S517-V520 VanDerWaalsContact OG-CG2 3.26Å; S517-V520 WeakPolarHBondContact OG-CG2 3.49Å; S517-Q521 PolarHBondContact O-N 2.86Å | ||
| 518 | P | 97.7 | Very high | 96.1 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -50 | -43.5 | -175.7 | -33.5 | 39.7 | 0 | 0 | 0 | 114.1 | A511 V520 Q521 F522 F551 I554 | A511-P518 HydrophobicContact CB-CG 3.98Å; P518-V520 VanDerWaalsContact C-N 3.33Å; P518-V520 PolarHBondContact O-N 2.92Å; P518-Q521 PolarHBondContact O-N 3.35Å; P518-F522 WeakPolarHBondContact O-CB 3.5Å; P518-F522 PolarHBondContact O-N 3.12Å; P518-F551 HydrophobicContact CB-CB 3.79Å; P518-F551 HydrophobicContact CB-CD1 3.81Å; P518-F551 HydrophobicContact CB-CD2 3.67Å; P518-F551 HydrophobicContact CB-CE1 4.27Å; P518-F551 HydrophobicContact CB-CE2 4.12Å; P518-F551 HydrophobicContact CB-CG 3.48Å; P518-F551 VanDerWaalsContact CB-CG 3.48Å; P518-F551 HydrophobicContact CB-CZ 4.39Å; P518-F551 HydrophobicContact CG-CB 4.18Å; P518-F551 HydrophobicContact CG-CD1 3.36Å; P518-F551 HydrophobicContact CG-CD2 4.11Å; P518-F551 HydrophobicContact CG-CE1 3.62Å; P518-F551 HydrophobicContact CG-CE2 4.3Å; P518-F551 HydrophobicContact CG-CG 3.62Å; P518-F551 HydrophobicContact CG-CZ 4.07Å; P518-I554 HydrophobicContact CB-CD1 3.89Å; P518-I554 HydrophobicContact CB-CG1 4.45Å; P518-I554 HydrophobicContact CB-CG2 4.38Å |
| 519 | L | 96.9 | Very high | 96 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 23% | 0.225 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 178.6 | -174.1 | 59.9 | 0 | 0 | 0 | 112.6 | S517 F522 R523 I554 | S517-L519 PolarHBondContact O-N 3.21Å; S517-L519 VanDerWaalsContact O-N 3.11Å; L519-F522 HydrophobicContact CD1-CD1 4.45Å; L519-R523 HydrophobicContact CD1-CG 4.44Å; L519-R523 WeakPolarHBondContact O-CB 3.45Å; L519-R523 WeakPolarHBondContact O-CG 3.35Å; L519-R523 PolarHBondContact O-N 3.45Å; L519-I554 HydrophobicContact CB-CG2 3.81Å; L519-I554 HydrophobicContact CD1-CG2 3.98Å; L519-I554 HydrophobicContact CG-CG2 4.44Å |
| 520 | V | 97.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 52.6 Ų | 52.6 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.8 | -43.3 | 176.7 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | F483 R515 S517 P518 R523 L524 | F483-V520 HydrophobicContact CE2-CG1 4.33Å; F483-V520 HydrophobicContact CZ-CG1 3.94Å; R515-V520 WeakPolarHBondContact O-CG1 3.36Å; S517-V520 WeakPolarHBondContact O-CA 3.46Å; S517-V520 WeakPolarHBondContact O-CB 3.34Å; S517-V520 PolarHBondContact O-N 3.15Å; S517-V520 VanDerWaalsContact OG-CG2 3.26Å; S517-V520 WeakPolarHBondContact OG-CG2 3.49Å; P518-V520 VanDerWaalsContact C-N 3.33Å; P518-V520 PolarHBondContact O-N 2.92Å; V520-R523 PolarHBondContact O-N 2.95Å; V520-L524 WeakPolarHBondContact O-CB 3.07Å; V520-L524 PolarHBondContact O-N 3.33Å |
| 521 | Q | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.4 | -48.8 | 174.4 | -64 | -175.3 | 48.1 | 0 | 0 | 111.4 | F483 G507 S516 S517 P518 L524 L525 F547 | F483-Q521 HydrophobicContact CD2-CG 4.12Å; F483-Q521 HydrophobicContact CE2-CG 3.98Å; G507-Q521 PolarHBondContact O-NE2 3.35Å; S516-Q521 WeakPolarHBondContact O-CG 3.31Å; S516-Q521 PolarHBondContact O-NE2 2.83Å; S517-Q521 PolarHBondContact O-N 2.86Å; P518-Q521 PolarHBondContact O-N 3.35Å; Q521-L524 PolarHBondContact O-N 3.13Å; Q521-L525 PolarHBondContact O-N 3.24Å; Q521-L525 VanDerWaalsContact O-N 3.1Å; Q521-F547 HydrophobicContact CB-CE2 4.24Å; Q521-F547 HydrophobicContact CB-CZ 4.14Å |
| 522 | F | 98.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 4% | 0.044 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 176.7 | 170.8 | -110.3 | 0 | 0 | 0 | 112.2 | P518 L519 L524 L525 H526 Y544 F547 I554 Q557 I558 V561 | P518-F522 WeakPolarHBondContact O-CB 3.5Å; P518-F522 PolarHBondContact O-N 3.12Å; L519-F522 HydrophobicContact CD1-CD1 4.45Å; F522-L524 VanDerWaalsContact C-N 3.31Å; F522-L524 PolarHBondContact O-N 3.46Å; F522-L525 PolarHBondContact O-N 3.16Å; F522-H526 HydrophobicContact CE2-CB 4.34Å; F522-H526 HydrophobicContact CZ-CB 4.35Å; F522-H526 VanDerWaalsContact O-CB 3.26Å; F522-H526 WeakPolarHBondContact O-CB 3.41Å; F522-H526 PolarHBondContact O-N 3.44Å; F522-Y544 AromaticContact CD2-CD1 3.75Å; F522-Y544 HydrophobicContact CD2-CD1 3.75Å; F522-Y544 AromaticContact CD2-CE1 3.86Å; F522-Y544 HydrophobicContact CD2-CE1 3.86Å; F522-Y544 HydrophobicContact CD2-CG 4.33Å; F522-Y544 AromaticContact CE2-CD1 3.82Å; F522-Y544 HydrophobicContact CE2-CD1 3.82Å; F522-Y544 HydrophobicContact CE2-CD2 4.19Å; F522-Y544 AromaticContact CE2-CE1 3.89Å; F522-Y544 HydrophobicContact CE2-CE1 3.89Å; F522-Y544 HydrophobicContact CE2-CE2 4.27Å; F522-Y544 AromaticContact CE2-CG 3.99Å; F522-Y544 HydrophobicContact CE2-CG 3.99Å; F522-F547 HydrophobicContact CB-CD2 4.12Å; F522-F547 HydrophobicContact CB-CE2 4.23Å; F522-F547 HydrophobicContact CD2-CD2 4.47Å; F522-I554 HydrophobicContact CB-CD1 4.07Å; F522-Q557 HydrophobicContact CE1-CB 4.29Å; F522-I558 HydrophobicContact CD2-CD1 4.33Å; F522-I558 HydrophobicContact CD2-CG1 3.82Å; F522-I558 HydrophobicContact CE1-CG1 4.44Å; F522-I558 HydrophobicContact CE2-CG1 3.6Å; F522-I558 HydrophobicContact CG-CG1 4.33Å; F522-I558 HydrophobicContact CZ-CG1 3.93Å; F522-V561 HydrophobicContact CZ-CG2 3.88Å |
| 523 | R | 97.3 | Very high | 95 | Very high | 156 Ų | 156 | 57 Ų | 57 | 59% | 0.589 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.5 | -39.1 | 179.4 | -76.9 | 172.8 | 175.9 | 168.7 | -1.2 | 112.4 | L519 V520 H526 S527 | L519-R523 HydrophobicContact CD1-CG 4.44Å; L519-R523 WeakPolarHBondContact O-CB 3.45Å; L519-R523 WeakPolarHBondContact O-CG 3.35Å; L519-R523 PolarHBondContact O-N 3.45Å; V520-R523 PolarHBondContact O-N 2.95Å; R523-H526 PolarHBondContact O-N 3.49Å; R523-S527 WeakPolarHBondContact O-CB 3.47Å; R523-S527 PolarHBondContact O-N 3.06Å |
| 524 | L | 96.5 | Very high | 94.9 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -52.2 | 177.2 | -179.3 | 60.1 | 0 | 0 | 0 | 110.9 | F483 L486 Q487 V520 Q521 F522 H526 S527 | F483-L524 HydrophobicContact CD2-CD2 3.62Å; F483-L524 HydrophobicContact CE2-CD2 3.52Å; F483-L524 HydrophobicContact CG-CD2 4.43Å; F483-L524 HydrophobicContact CZ-CD2 4.28Å; L486-L524 HydrophobicContact CB-CD1 4.46Å; L486-L524 HydrophobicContact CB-CD2 3.7Å; L486-L524 HydrophobicContact CB-CG 4.04Å; Q487-L524 HydrophobicContact CG-CD1 4.24Å; Q487-L524 HydrophobicContact CG-CD2 3.89Å; V520-L524 WeakPolarHBondContact O-CB 3.07Å; V520-L524 PolarHBondContact O-N 3.33Å; Q521-L524 PolarHBondContact O-N 3.13Å; F522-L524 VanDerWaalsContact C-N 3.31Å; F522-L524 PolarHBondContact O-N 3.46Å; L524-H526 PolarHBondContact O-N 3.19Å; L524-S527 PolarHBondContact O-N 3.2Å; L524-S527 PolarHBondContact O-OG 2.96Å |
| 525 | L | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 176.5 | -71.7 | 174.3 | 0 | 0 | 0 | 111.6 | L486 A500 L503 Q521 F522 S527 T528 Y529 L540 T543 Y544 F547 | L486-L525 HydrophobicContact CD1-CD2 3.7Å; A500-L525 HydrophobicContact CB-CD2 4.12Å; L503-L525 HydrophobicContact CB-CD1 4.47Å; L503-L525 HydrophobicContact CD1-CD1 4.23Å; L503-L525 HydrophobicContact CD1-CD2 4.39Å; L503-L525 HydrophobicContact CD1-CG 4.33Å; Q521-L525 PolarHBondContact O-N 3.24Å; Q521-L525 VanDerWaalsContact O-N 3.1Å; F522-L525 PolarHBondContact O-N 3.16Å; L525-S527 VanDerWaalsContact C-N 3.27Å; L525-S527 PolarHBondContact O-N 2.94Å; L525-T528 PolarHBondContact O-N 3.44Å; L525-T528 VanDerWaalsContact O-N 3.1Å; L525-T528 PolarHBondContact O-OG1 3.31Å; L525-Y529 PolarHBondContact O-N 3.21Å; L525-L540 HydrophobicContact CB-CD2 4.04Å; L525-L540 HydrophobicContact CD2-CD2 4.09Å; L525-T543 HydrophobicContact CD1-CG2 3.74Å; L525-Y544 HydrophobicContact CB-CE1 4.12Å; L525-F547 HydrophobicContact CD1-CE2 4.05Å; L525-F547 HydrophobicContact CD1-CZ 4.17Å |
| 526 | H | 96.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -29.5 | -178.6 | -163.3 | 60.3 | 0 | 0 | 0 | 113.2 | F522 R523 L524 T528 Y529 Y544 | F522-H526 HydrophobicContact CE2-CB 4.34Å; F522-H526 HydrophobicContact CZ-CB 4.35Å; F522-H526 VanDerWaalsContact O-CB 3.26Å; F522-H526 WeakPolarHBondContact O-CB 3.41Å; F522-H526 PolarHBondContact O-N 3.44Å; R523-H526 PolarHBondContact O-N 3.49Å; L524-H526 PolarHBondContact O-N 3.19Å; H526-T528 PolarHBondContact O-N 2.88Å; H526-T528 VanDerWaalsContact O-N 3.16Å; H526-Y529 WeakPolarHBondContact O-CB 3.35Å; H526-Y529 PolarHBondContact O-N 3.35Å; H526-Y544 VanDerWaalsContact CA-OH 3.22Å; H526-Y544 WeakPolarHBondContact CA-OH 3.34Å; H526-Y544 PolarHBondContact N-OH 3.42Å; H526-Y544 AromaticContact ND1-CE2 3.89Å; H526-Y544 AromaticContact ND1-CZ 3.89Å; H526-Y544 PolarHBondContact ND1-OH 3.26Å |
| 527 | S | 94.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 47.2 Ų | 47.2 | 55% | 0.552 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.1 | -27.4 | 174.1 | 77.8 | 0 | 0 | 0 | 0 | 113.4 | R523 L524 L525 | R523-S527 WeakPolarHBondContact O-CB 3.47Å; R523-S527 PolarHBondContact O-N 3.06Å; L524-S527 PolarHBondContact O-N 3.2Å; L524-S527 PolarHBondContact O-OG 2.96Å; L525-S527 VanDerWaalsContact C-N 3.27Å; L525-S527 PolarHBondContact O-N 2.94Å |
| 528 | T | 92.3 | Very high | 94.9 | Very high | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.129 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -92.1 | -14.1 | 177.9 | 69 | 0 | 0 | 0 | 0 | 113.6 | V496 L525 H526 H530 L531 C532 | V496-T528 WeakPolarHBondContact CG1-OG1 3.37Å; V496-T528 HydrophobicContact CG2-CG2 4.28Å; L525-T528 PolarHBondContact O-N 3.44Å; L525-T528 VanDerWaalsContact O-N 3.1Å; L525-T528 PolarHBondContact O-OG1 3.31Å; H526-T528 PolarHBondContact O-N 2.88Å; H526-T528 VanDerWaalsContact O-N 3.16Å; T528-H530 PolarHBondContact O-N 3.41Å; T528-L531 PolarHBondContact O-N 2.93Å; T528-C532 PolarHBondContact O-SG 3.49Å |
| 529 | Y | 94 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55 | -45.8 | -169.1 | -178.9 | -96.6 | 0 | 0 | 0 | 113.4 | L525 H526 L531 C532 K537 L540 L541 Y544 N567 | L525-Y529 PolarHBondContact O-N 3.21Å; H526-Y529 WeakPolarHBondContact O-CB 3.35Å; H526-Y529 PolarHBondContact O-N 3.35Å; Y529-L531 PolarHBondContact O-N 2.98Å; Y529-C532 PolarHBondContact O-N 3.29Å; Y529-K537 HydrophobicContact CD2-CB 4.46Å; Y529-K537 HydrophobicContact CD2-CG 4.15Å; Y529-K537 HydrophobicContact CE1-CD 4.22Å; Y529-K537 HydrophobicContact CE1-CG 4.33Å; Y529-K537 HydrophobicContact CE2-CB 3.7Å; Y529-K537 HydrophobicContact CE2-CD 4.43Å; Y529-K537 HydrophobicContact CE2-CG 3.74Å; Y529-K537 WeakPolarHBondContact O-CE 3.41Å; Y529-L540 HydrophobicContact CD2-CB 3.91Å; Y529-L540 HydrophobicContact CD2-CD1 3.7Å; Y529-L540 HydrophobicContact CD2-CG 4.44Å; Y529-L540 HydrophobicContact CE2-CB 4.2Å; Y529-L540 HydrophobicContact CG-CD1 4.45Å; Y529-L541 HydrophobicContact CE2-CD2 3.81Å; Y529-L541 HydrophobicContact CE2-CG 4.27Å; Y529-Y544 HydrophobicContact CD2-CE2 4.09Å; Y529-Y544 HydrophobicContact CE2-CE2 4.35Å; Y529-N567 WeakPolarHBondContact CE1-OD1 3.33Å; Y529-N567 VanDerWaalsContact OH-CG 3.26Å; Y529-N567 PolarHBondContact OH-OD1 3.41Å |
| 530 | H | 90.4 | Very high | 94.9 | Very high | 119 Ų | 119 | 44.7 Ų | 44.7 | 55% | 0.551 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -15.6 | -176.2 | -59 | -66.5 | 0 | 0 | 0 | 113.8 | T528 | T528-H530 PolarHBondContact O-N 3.41Š|
| 531 | L | 88.2 | Confident | 94.9 | Very high | 155 Ų | 155 | 42.2 Ų | 42.2 | 81% | 0.812 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -10.3 | -179.6 | -56.6 | 177.7 | 0 | 0 | 0 | 113 | T528 Y529 | T528-L531 PolarHBondContact O-N 2.93Å; Y529-L531 PolarHBondContact O-N 2.98Å |
| 532 | C | 90.9 | Very high | 94.9 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 10% | 0.095 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -90.5 | 158.7 | -173.6 | -66.6 | 0 | 0 | 0 | 0 | 113 | T528 Y529 T536 K537 | T528-C532 PolarHBondContact O-SG 3.49Å; Y529-C532 PolarHBondContact O-N 3.29Å; C532-T536 HydrophobicContact CB-CG2 3.74Å; C532-K537 HydrophobicContact CB-CG 4.41Å; C532-K537 WeakPolarHBondContact O-CE 3.32Å |
| 533 | S | 91.9 | Very high | 94.8 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 32% | 0.315 | 22% | 0.222 | S | C | . | . | trans | -65.4 | 161.2 | 169.5 | 70.8 | 0 | 0 | 0 | 0 | 112 | E493 Q535 T536 K537 | E493-S533 WeakPolarHBondContact OE1-CB 3.45Å; E493-S533 PolarHBondContact OE1-N 3.29Å; E493-S533 PolarHBondContact OE1-OG 3.02Å; S533-Q535 PolarHBondContact O-N 3.35Å; S533-T536 PolarHBondContact O-N 3.46Å; S533-T536 VanDerWaalsContact O-N 3.11Å; S533-T536 PolarHBondContact OG-OG1 3.24Å; S533-K537 WeakPolarHBondContact O-CG 3.32Å; S533-K537 PolarHBondContact O-N 3.11Å | ||
| 534 | N | 92.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 35.8 Ų | 35.8 | 31% | 0.31 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.8 | -36.4 | 178.1 | -69 | -6.1 | 0 | 0 | 0 | 112.6 | T536 K537 C538 D572 | N534-T536 PolarHBondContact O-N 3.03Å; N534-K537 PolarHBondContact O-N 3.08Å; N534-C538 PolarHBondContact O-N 3.43Å; N534-C538 PolarHBondContact O-SG 2.64Å; N534-D572 HydrophobicContact CB-CB 4.49Å; N534-D572 WeakPolarHBondContact CB-OD2 3.39Å; N534-D572 VanDerWaalsContact ND2-CB 3.34Å; N534-D572 WeakPolarHBondContact ND2-CB 3.26Å; N534-D572 PolarHBondContact ND2-OD2 2.81Å |
| 535 | Q | 93 | Very high | 94.9 | Very high | 96 Ų | 96 | 34.6 Ų | 34.6 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 176.4 | -169.3 | -170 | 13.4 | 0 | 0 | 111.6 | S533 C538 I539 | S533-Q535 PolarHBondContact O-N 3.35Å; Q535-C538 WeakPolarHBondContact O-CB 3.25Å; Q535-C538 PolarHBondContact O-N 2.91Å; Q535-I539 PolarHBondContact O-N 3.42Å |
| 536 | T | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.6 | -35.7 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | E493 V496 K497 C532 S533 N534 C538 I539 L540 | E493-T536 VanDerWaalsContact CD-OG1 3.3Å; E493-T536 HydrophobicContact CG-CG2 4.02Å; E493-T536 WeakPolarHBondContact CG-OG1 3.48Å; E493-T536 WeakPolarHBondContact OE1-CB 3.5Å; E493-T536 PolarHBondContact OE1-OG1 3.46Å; V496-T536 HydrophobicContact CB-CG2 4.46Å; V496-T536 HydrophobicContact CG1-CG2 4.05Å; K497-T536 WeakPolarHBondContact CE-OG1 3.47Å; K497-T536 HydrophobicContact CG-CG2 4.01Å; C532-T536 HydrophobicContact CB-CG2 3.74Å; S533-T536 PolarHBondContact O-N 3.46Å; S533-T536 VanDerWaalsContact O-N 3.11Å; S533-T536 PolarHBondContact OG-OG1 3.24Å; N534-T536 PolarHBondContact O-N 3.03Å; T536-C538 VanDerWaalsContact C-N 3.27Å; T536-C538 PolarHBondContact O-N 3.43Å; T536-I539 WeakPolarHBondContact O-CB 3.47Å; T536-I539 PolarHBondContact O-N 2.96Å; T536-I539 VanDerWaalsContact O-N 3.12Å; T536-L540 HydrophobicContact CG2-CD1 4.26Å; T536-L540 WeakPolarHBondContact O-CG 3.18Å; T536-L540 PolarHBondContact O-N 2.82Å |
| 537 | K | 97.2 | Very high | 94.9 | Very high | 28 Ų | 28 | 33.8 Ų | 33.8 | 12% | 0.122 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -39.7 | 172.1 | -70.3 | 175.3 | -178.4 | 162.4 | 0 | 111.5 | Y529 C532 S533 N534 I539 L540 L541 L575 | Y529-K537 HydrophobicContact CD2-CB 4.46Å; Y529-K537 HydrophobicContact CD2-CG 4.15Å; Y529-K537 HydrophobicContact CE1-CD 4.22Å; Y529-K537 HydrophobicContact CE1-CG 4.33Å; Y529-K537 HydrophobicContact CE2-CB 3.7Å; Y529-K537 HydrophobicContact CE2-CD 4.43Å; Y529-K537 HydrophobicContact CE2-CG 3.74Å; Y529-K537 WeakPolarHBondContact O-CE 3.41Å; C532-K537 HydrophobicContact CB-CG 4.41Å; C532-K537 WeakPolarHBondContact O-CE 3.32Å; S533-K537 WeakPolarHBondContact O-CG 3.32Å; S533-K537 PolarHBondContact O-N 3.11Å; N534-K537 PolarHBondContact O-N 3.08Å; K537-I539 VanDerWaalsContact C-N 3.32Å; K537-I539 PolarHBondContact O-N 3.02Å; K537-L540 PolarHBondContact O-N 3.04Å; K537-L541 WeakPolarHBondContact O-CG 3.08Å; K537-L541 PolarHBondContact O-N 3.21Å; K537-L575 HydrophobicContact CB-CD1 3.56Å; K537-L575 HydrophobicContact CB-CD2 4.18Å; K537-L575 HydrophobicContact CD-CD2 4Å |
| 538 | C | 97.1 | Very high | 94.9 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 5% | 0.054 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 174.6 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | N534 Q535 T536 S542 R578 | N534-C538 PolarHBondContact O-N 3.43Å; N534-C538 PolarHBondContact O-SG 2.64Å; Q535-C538 WeakPolarHBondContact O-CB 3.25Å; Q535-C538 PolarHBondContact O-N 2.91Å; T536-C538 VanDerWaalsContact C-N 3.27Å; T536-C538 PolarHBondContact O-N 3.43Å; C538-S542 PolarHBondContact O-N 3.37Å; C538-S542 PolarHBondContact O-OG 3.16Å; C538-R578 PolarHBondContact O-NH1 2.84Å |
| 539 | I | 96.9 | Very high | 95 | Very high | 27 Ų | 27 | 30.8 Ų | 30.8 | 14% | 0.138 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -49.6 | 173.3 | -62.4 | 170.7 | 0 | 0 | 0 | 109.6 | W461 K497 A500 Q535 T536 K537 L541 S542 T543 | W461-I539 HydrophobicContact CH2-CD1 4.06Å; K497-I539 HydrophobicContact CB-CD1 4.16Å; K497-I539 HydrophobicContact CD-CD1 4.07Å; K497-I539 HydrophobicContact CG-CD1 3.94Å; A500-I539 HydrophobicContact CB-CG2 4.05Å; Q535-I539 PolarHBondContact O-N 3.42Å; T536-I539 WeakPolarHBondContact O-CB 3.47Å; T536-I539 PolarHBondContact O-N 2.96Å; T536-I539 VanDerWaalsContact O-N 3.12Å; K537-I539 VanDerWaalsContact C-N 3.32Å; K537-I539 PolarHBondContact O-N 3.02Å; I539-L541 PolarHBondContact O-N 3.41Å; I539-S542 WeakPolarHBondContact O-CA 3.39Å; I539-S542 WeakPolarHBondContact O-CB 3.44Å; I539-S542 PolarHBondContact O-N 2.84Å; I539-T543 PolarHBondContact O-N 2.8Å; I539-T543 PolarHBondContact O-OG1 3.27Å |
| 540 | L | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 179.2 | -72.8 | 166.7 | 0 | 0 | 0 | 112.8 | V496 A500 L525 Y529 T536 K537 S542 T543 Y544 | V496-L540 HydrophobicContact CG1-CD1 4.17Å; V496-L540 HydrophobicContact CG1-CD2 4.14Å; V496-L540 HydrophobicContact CG1-CG 4.46Å; A500-L540 HydrophobicContact CB-CD2 3.66Å; A500-L540 HydrophobicContact CB-CG 4.38Å; L525-L540 HydrophobicContact CB-CD2 4.04Å; L525-L540 HydrophobicContact CD2-CD2 4.09Å; Y529-L540 HydrophobicContact CD2-CB 3.91Å; Y529-L540 HydrophobicContact CD2-CD1 3.7Å; Y529-L540 HydrophobicContact CD2-CG 4.44Å; Y529-L540 HydrophobicContact CE2-CB 4.2Å; Y529-L540 HydrophobicContact CG-CD1 4.45Å; T536-L540 HydrophobicContact CG2-CD1 4.26Å; T536-L540 WeakPolarHBondContact O-CG 3.18Å; T536-L540 PolarHBondContact O-N 2.82Å; K537-L540 PolarHBondContact O-N 3.04Å; L540-S542 PolarHBondContact O-N 3.18Å; L540-T543 WeakPolarHBondContact O-CB 3.49Å; L540-T543 PolarHBondContact O-N 3.36Å; L540-Y544 HydrophobicContact CB-CE1 4.5Å; L540-Y544 HydrophobicContact CB-CE2 4.3Å; L540-Y544 HydrophobicContact CD2-CE1 4.46Å; L540-Y544 VanDerWaalsContact O-CD1 3.26Å; L540-Y544 WeakPolarHBondContact O-CD1 3.14Å; L540-Y544 WeakPolarHBondContact O-CD2 3.39Å; L540-Y544 PolarHBondContact O-N 3.05Å |
| 541 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.2 | -35.6 | 175.2 | -66.5 | -166.6 | 0 | 0 | 0 | 111.8 | Y529 K537 I539 Y544 V545 F562 L575 R578 A579 Y582 | Y529-L541 HydrophobicContact CE2-CD2 3.81Å; Y529-L541 HydrophobicContact CE2-CG 4.27Å; K537-L541 WeakPolarHBondContact O-CG 3.08Å; K537-L541 PolarHBondContact O-N 3.21Å; I539-L541 PolarHBondContact O-N 3.41Å; L541-Y544 HydrophobicContact CD2-CD2 3.94Å; L541-Y544 HydrophobicContact CD2-CE2 4.19Å; L541-Y544 PolarHBondContact O-N 3.01Å; L541-V545 PolarHBondContact O-N 3.16Å; L541-F562 HydrophobicContact CB-CE1 4.19Å; L541-F562 HydrophobicContact CD2-CD1 3.98Å; L541-F562 HydrophobicContact CD2-CE1 3.96Å; L541-L575 HydrophobicContact CD1-CD1 3.56Å; L541-L575 HydrophobicContact CD1-CG 4.36Å; L541-L575 HydrophobicContact CG-CD1 4.09Å; L541-R578 HydrophobicContact CD1-CB 4.29Å; L541-A579 HydrophobicContact CD1-CB 3.86Å; L541-Y582 HydrophobicContact CB-CD2 4.1Å; L541-Y582 HydrophobicContact CB-CE2 4.07Å; L541-Y582 WeakPolarHBondContact O-CD2 3.25Å; L541-Y582 WeakPolarHBondContact O-CE2 3.36Å |
| 542 | S | 96.8 | Very high | 95.4 | Very high | 26 Ų | 26 | 24.8 Ų | 24.8 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71 | -39.1 | 177.5 | -48.4 | 0 | 0 | 0 | 0 | 111.1 | C538 I539 L540 Y544 V545 K546 R578 Y582 | C538-S542 PolarHBondContact O-N 3.37Å; C538-S542 PolarHBondContact O-OG 3.16Å; I539-S542 WeakPolarHBondContact O-CA 3.39Å; I539-S542 WeakPolarHBondContact O-CB 3.44Å; I539-S542 PolarHBondContact O-N 2.84Å; L540-S542 PolarHBondContact O-N 3.18Å; S542-Y544 VanDerWaalsContact C-N 3.34Å; S542-Y544 PolarHBondContact O-N 2.98Å; S542-V545 VanDerWaalsContact O-CG1 3.25Å; S542-V545 WeakPolarHBondContact O-CG1 3.31Å; S542-V545 PolarHBondContact O-N 3.35Å; S542-K546 PolarHBondContact O-N 3.47Å; S542-K546 VanDerWaalsContact O-N 3.17Å; S542-R578 PolarHBondContact OG-NH1 2.96Å; S542-Y582 PolarHBondContact OG-OH 3.07Å |
| 543 | T | 97.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 169.5 | -59 | 0 | 0 | 0 | 0 | 111.7 | A500 L525 I539 L540 V545 K546 F547 | A500-T543 VanDerWaalsContact C-OG1 3.23Å; A500-T543 WeakPolarHBondContact O-CG2 3.32Å; A500-T543 PolarHBondContact O-OG1 3.24Å; L525-T543 HydrophobicContact CD1-CG2 3.74Å; I539-T543 PolarHBondContact O-N 2.8Å; I539-T543 PolarHBondContact O-OG1 3.27Å; L540-T543 WeakPolarHBondContact O-CB 3.49Å; L540-T543 PolarHBondContact O-N 3.36Å; T543-V545 PolarHBondContact O-N 2.93Å; T543-K546 WeakPolarHBondContact O-CB 3.32Å; T543-K546 PolarHBondContact O-N 3.5Å; T543-F547 HydrophobicContact CG2-CE1 4.34Å; T543-F547 HydrophobicContact CG2-CE2 4.39Å; T543-F547 HydrophobicContact CG2-CZ 4.2Å; T543-F547 PolarHBondContact O-N 3.35Å |
| 544 | Y | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | -179.6 | -59.8 | -19.9 | 0 | 0 | 0 | 112.3 | F522 L525 H526 Y529 L540 L541 S542 K546 F547 V548 V561 F562 | F522-Y544 AromaticContact CD2-CD1 3.75Å; F522-Y544 HydrophobicContact CD2-CD1 3.75Å; F522-Y544 AromaticContact CD2-CE1 3.86Å; F522-Y544 HydrophobicContact CD2-CE1 3.86Å; F522-Y544 HydrophobicContact CD2-CG 4.33Å; F522-Y544 AromaticContact CE2-CD1 3.82Å; F522-Y544 HydrophobicContact CE2-CD1 3.82Å; F522-Y544 HydrophobicContact CE2-CD2 4.19Å; F522-Y544 AromaticContact CE2-CE1 3.89Å; F522-Y544 HydrophobicContact CE2-CE1 3.89Å; F522-Y544 HydrophobicContact CE2-CE2 4.27Å; F522-Y544 AromaticContact CE2-CG 3.99Å; F522-Y544 HydrophobicContact CE2-CG 3.99Å; L525-Y544 HydrophobicContact CB-CE1 4.12Å; H526-Y544 VanDerWaalsContact CA-OH 3.22Å; H526-Y544 WeakPolarHBondContact CA-OH 3.34Å; H526-Y544 PolarHBondContact N-OH 3.42Å; H526-Y544 AromaticContact ND1-CE2 3.89Å; H526-Y544 AromaticContact ND1-CZ 3.89Å; H526-Y544 PolarHBondContact ND1-OH 3.26Å; Y529-Y544 HydrophobicContact CD2-CE2 4.09Å; Y529-Y544 HydrophobicContact CE2-CE2 4.35Å; L540-Y544 HydrophobicContact CB-CE1 4.5Å; L540-Y544 HydrophobicContact CB-CE2 4.3Å; L540-Y544 HydrophobicContact CD2-CE1 4.46Å; L540-Y544 VanDerWaalsContact O-CD1 3.26Å; L540-Y544 WeakPolarHBondContact O-CD1 3.14Å; L540-Y544 WeakPolarHBondContact O-CD2 3.39Å; L540-Y544 PolarHBondContact O-N 3.05Å; L541-Y544 HydrophobicContact CD2-CD2 3.94Å; L541-Y544 HydrophobicContact CD2-CE2 4.19Å; L541-Y544 PolarHBondContact O-N 3.01Å; S542-Y544 VanDerWaalsContact C-N 3.34Å; S542-Y544 PolarHBondContact O-N 2.98Å; Y544-K546 VanDerWaalsContact C-N 3.3Å; Y544-K546 PolarHBondContact O-N 3.49Å; Y544-F547 WeakPolarHBondContact O-CB 3.37Å; Y544-F547 PolarHBondContact O-N 3.39Å; Y544-F547 VanDerWaalsContact O-N 3.16Å; Y544-V548 PolarHBondContact O-N 3.3Å; Y544-V561 HydrophobicContact CD2-CG1 4.34Å; Y544-V561 HydrophobicContact CE2-CG1 4.21Å; Y544-F562 HydrophobicContact CD2-CE1 4.35Å |
| 545 | V | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.6 | -33.3 | 177.7 | 77.7 | 0 | 0 | 0 | 0 | 110.8 | L541 S542 T543 F547 V548 N549 F562 Y582 M585 L598 | L541-V545 PolarHBondContact O-N 3.16Å; S542-V545 VanDerWaalsContact O-CG1 3.25Å; S542-V545 WeakPolarHBondContact O-CG1 3.31Å; S542-V545 PolarHBondContact O-N 3.35Å; T543-V545 PolarHBondContact O-N 2.93Å; V545-F547 VanDerWaalsContact C-N 3.35Å; V545-F547 PolarHBondContact O-N 3.13Å; V545-V548 WeakPolarHBondContact O-CB 3.29Å; V545-V548 PolarHBondContact O-N 2.65Å; V545-V548 VanDerWaalsContact O-N 3.13Å; V545-N549 PolarHBondContact O-N 3.27Å; V545-F562 HydrophobicContact CB-CE2 4.35Å; V545-F562 HydrophobicContact CB-CZ 3.9Å; V545-F562 HydrophobicContact CG2-CE2 4.47Å; V545-F562 HydrophobicContact CG2-CZ 4.48Å; V545-Y582 HydrophobicContact CB-CD1 4.19Å; V545-Y582 HydrophobicContact CB-CD2 3.94Å; V545-Y582 HydrophobicContact CB-CE2 4.44Å; V545-Y582 HydrophobicContact CB-CG 3.81Å; V545-Y582 HydrophobicContact CG1-CD1 3.95Å; V545-Y582 HydrophobicContact CG1-CD2 3.93Å; V545-Y582 HydrophobicContact CG1-CE1 3.94Å; V545-Y582 HydrophobicContact CG1-CE2 3.93Å; V545-Y582 HydrophobicContact CG1-CG 3.94Å; V545-Y582 HydrophobicContact CG2-CD1 4.08Å; V545-Y582 HydrophobicContact CG2-CG 3.93Å; V545-M585 HydrophobicContact CG2-CE 3.42Å; V545-M585 VanDerWaalsContact CG2-CE 3.42Å; V545-L598 HydrophobicContact CG1-CD2 3.76Å; V545-L598 HydrophobicContact CG2-CD1 4.02Å; V545-L598 HydrophobicContact CG2-CD2 4.45Å; V545-L598 WeakPolarHBondContact O-CD1 3.46Å |
| 546 | K | 96.5 | Very high | 96.1 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 12% | 0.117 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 168.5 | -69.9 | -164.3 | 167.8 | -146.3 | 0 | 112.5 | G504 E505 S542 T543 Y544 V548 N549 L550 L598 E599 | G504-K546 WeakPolarHBondContact O-CB 3.44Å; G504-K546 WeakPolarHBondContact O-CD 3.46Å; E505-K546 WeakPolarHBondContact OE1-CE 3.31Å; E505-K546 IonicContact OE1-NZ 2.65Å; E505-K546 PolarHBondContact OE1-NZ 3.5Å; E505-K546 IonicContact OE2-NZ 2.77Å; E505-K546 PolarHBondContact OE2-NZ 2.9Å; S542-K546 PolarHBondContact O-N 3.47Å; S542-K546 VanDerWaalsContact O-N 3.17Å; T543-K546 WeakPolarHBondContact O-CB 3.32Å; T543-K546 PolarHBondContact O-N 3.5Å; Y544-K546 VanDerWaalsContact C-N 3.3Å; Y544-K546 PolarHBondContact O-N 3.49Å; K546-V548 VanDerWaalsContact C-N 3.28Å; K546-V548 PolarHBondContact O-N 2.92Å; K546-N549 WeakPolarHBondContact O-CB 3.45Å; K546-N549 PolarHBondContact O-N 2.82Å; K546-L550 WeakPolarHBondContact O-CG 3.35Å; K546-L550 PolarHBondContact O-N 3.49Å; K546-L598 HydrophobicContact CG-CD2 4.44Å; K546-E599 PolarHBondContact NZ-O 3.39Å |
| 547 | F | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.7 | -30.7 | 171.8 | -75.5 | -3 | 0 | 0 | 0 | 113.6 | L503 Q521 F522 L525 T543 Y544 V545 N549 F551 I554 I558 | L503-F547 HydrophobicContact CB-CZ 4.18Å; L503-F547 VanDerWaalsContact O-CE1 3.29Å; L503-F547 WeakPolarHBondContact O-CE1 3.27Å; Q521-F547 HydrophobicContact CB-CE2 4.24Å; Q521-F547 HydrophobicContact CB-CZ 4.14Å; F522-F547 HydrophobicContact CB-CD2 4.12Å; F522-F547 HydrophobicContact CB-CE2 4.23Å; F522-F547 HydrophobicContact CD2-CD2 4.47Å; L525-F547 HydrophobicContact CD1-CE2 4.05Å; L525-F547 HydrophobicContact CD1-CZ 4.17Å; T543-F547 HydrophobicContact CG2-CE1 4.34Å; T543-F547 HydrophobicContact CG2-CE2 4.39Å; T543-F547 HydrophobicContact CG2-CZ 4.2Å; T543-F547 PolarHBondContact O-N 3.35Å; Y544-F547 WeakPolarHBondContact O-CB 3.37Å; Y544-F547 PolarHBondContact O-N 3.39Å; Y544-F547 VanDerWaalsContact O-N 3.16Å; V545-F547 VanDerWaalsContact C-N 3.35Å; V545-F547 PolarHBondContact O-N 3.13Å; F547-N549 VanDerWaalsContact C-N 3.27Å; F547-N549 PolarHBondContact O-N 3.19Å; F547-F551 HydrophobicContact CB-CD2 4.13Å; F547-F551 AromaticContact CD1-CD2 3.86Å; F547-F551 HydrophobicContact CD1-CD2 3.86Å; F547-F551 AromaticContact CD1-CE2 3.69Å; F547-F551 HydrophobicContact CD1-CE2 3.69Å; F547-F551 HydrophobicContact CE1-CD2 4.42Å; F547-F551 AromaticContact CE1-CE2 3.85Å; F547-F551 HydrophobicContact CE1-CE2 3.85Å; F547-F551 HydrophobicContact CG-CD2 4.03Å; F547-F551 HydrophobicContact CG-CE2 4.27Å; F547-F551 CarbonylContact O-C 3.53Å; F547-F551 WeakPolarHBondContact O-CA 3.07Å; F547-F551 WeakPolarHBondContact O-CB 3.25Å; F547-F551 PolarHBondContact O-N 2.96Å; F547-I554 HydrophobicContact CB-CD1 4.24Å; F547-I554 HydrophobicContact CD2-CD1 4.35Å; F547-I558 HydrophobicContact CB-CD1 3.64Å |
| 548 | V | 95.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 172.1 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | Y544 V545 K546 K555 I558 F562 L594 | Y544-V548 PolarHBondContact O-N 3.3Å; V545-V548 WeakPolarHBondContact O-CB 3.29Å; V545-V548 PolarHBondContact O-N 2.65Å; V545-V548 VanDerWaalsContact O-N 3.13Å; K546-V548 VanDerWaalsContact C-N 3.28Å; K546-V548 PolarHBondContact O-N 2.92Å; V548-K555 HydrophobicContact CG1-CB 4.32Å; V548-K555 HydrophobicContact CG1-CD 3.85Å; V548-K555 HydrophobicContact CG1-CG 3.79Å; V548-K555 HydrophobicContact CG2-CG 4.37Å; V548-I558 HydrophobicContact CG2-CB 3.98Å; V548-I558 HydrophobicContact CG2-CD1 4.03Å; V548-I558 HydrophobicContact CG2-CG2 3.59Å; V548-F562 HydrophobicContact CG2-CE2 4.43Å; V548-L594 HydrophobicContact CG1-CD1 4.43Å |
| 549 | N | 93.8 | Very high | 96.1 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 17% | 0.171 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.8 | -49.7 | 175.6 | -176.1 | 46.1 | 0 | 0 | 0 | 111.9 | V545 K546 F547 A595 L598 | V545-N549 PolarHBondContact O-N 3.27Å; K546-N549 WeakPolarHBondContact O-CB 3.45Å; K546-N549 PolarHBondContact O-N 2.82Å; F547-N549 VanDerWaalsContact C-N 3.27Å; F547-N549 PolarHBondContact O-N 3.19Å; N549-A595 VanDerWaalsContact OD1-CA 3.3Å; N549-A595 WeakPolarHBondContact OD1-CA 3.36Å; N549-A595 PolarHBondContact OD1-N 3.34Å; N549-L598 HydrophobicContact CB-CB 4.01Å; N549-L598 HydrophobicContact CB-CD1 3.81Å |
| 550 | L | 93.1 | Very high | 96.1 | Very high | 53 Ų | 53 | 36 Ų | 36 | 28% | 0.277 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -73 | -32.7 | -175.1 | -66.5 | 174.6 | 0 | 0 | 0 | 113.4 | K546 | K546-L550 WeakPolarHBondContact O-CG 3.35Å; K546-L550 PolarHBondContact O-N 3.49Å |
| 551 | F | 95.2 | Very high | 96 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 4% | 0.044 | 19% | 0.192 | C | C | . | . | trans | -135 | 77.3 | -170.1 | -49.6 | -57.2 | 0 | 0 | 0 | 111.8 | N508 A511 P518 F547 E553 I554 | N508-F551 HydrophobicContact CB-CE1 4.29Å; N508-F551 HydrophobicContact CB-CZ 4.21Å; A511-F551 HydrophobicContact CB-CE1 3.67Å; A511-F551 HydrophobicContact CB-CZ 3.86Å; P518-F551 HydrophobicContact CB-CB 3.79Å; P518-F551 HydrophobicContact CB-CD1 3.81Å; P518-F551 HydrophobicContact CB-CD2 3.67Å; P518-F551 HydrophobicContact CB-CE1 4.27Å; P518-F551 HydrophobicContact CB-CE2 4.12Å; P518-F551 HydrophobicContact CB-CG 3.48Å; P518-F551 VanDerWaalsContact CB-CG 3.48Å; P518-F551 HydrophobicContact CB-CZ 4.39Å; P518-F551 HydrophobicContact CG-CB 4.18Å; P518-F551 HydrophobicContact CG-CD1 3.36Å; P518-F551 HydrophobicContact CG-CD2 4.11Å; P518-F551 HydrophobicContact CG-CE1 3.62Å; P518-F551 HydrophobicContact CG-CE2 4.3Å; P518-F551 HydrophobicContact CG-CG 3.62Å; P518-F551 HydrophobicContact CG-CZ 4.07Å; F547-F551 HydrophobicContact CB-CD2 4.13Å; F547-F551 AromaticContact CD1-CD2 3.86Å; F547-F551 HydrophobicContact CD1-CD2 3.86Å; F547-F551 AromaticContact CD1-CE2 3.69Å; F547-F551 HydrophobicContact CD1-CE2 3.69Å; F547-F551 HydrophobicContact CE1-CD2 4.42Å; F547-F551 AromaticContact CE1-CE2 3.85Å; F547-F551 HydrophobicContact CE1-CE2 3.85Å; F547-F551 HydrophobicContact CG-CD2 4.03Å; F547-F551 HydrophobicContact CG-CE2 4.27Å; F547-F551 CarbonylContact O-C 3.53Å; F547-F551 WeakPolarHBondContact O-CA 3.07Å; F547-F551 WeakPolarHBondContact O-CB 3.25Å; F547-F551 PolarHBondContact O-N 2.96Å; F551-E553 VanDerWaalsContact C-OE2 3.24Å; F551-E553 WeakPolarHBondContact CA-OE2 3.36Å; F551-E553 PolarHBondContact O-N 2.95Å; F551-I554 HydrophobicContact CB-CD1 4Å; F551-I554 HydrophobicContact CB-CG1 3.73Å; F551-I554 HydrophobicContact CD2-CD1 4.23Å; F551-I554 WeakPolarHBondContact O-CG1 3.36Å; F551-I554 PolarHBondContact O-N 3.16Å; F551-I554 VanDerWaalsContact O-N 3.13Å | ||
| 552 | P | 92.5 | Very high | 95.9 | Very high | 85 Ų | 85 | 36.7 Ų | 36.7 | 55% | 0.552 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -55.8 | -25.1 | -178.2 | -26.2 | 35.6 | 0 | 0 | 0 | 114.6 | I554 K555 | P552-I554 VanDerWaalsContact C-N 3.32Å; P552-I554 PolarHBondContact O-N 3.38Å; P552-K555 VanDerWaalsContact O-CB 3.24Å; P552-K555 WeakPolarHBondContact O-CB 3.41Å; P552-K555 PolarHBondContact O-N 3.32Å |
| 553 | E | 94.7 | Very high | 95.8 | Very high | 120 Ų | 120 | 37 Ų | 37 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -69.3 | -22.2 | -179.7 | 66.3 | -87.4 | -156.4 | 0 | 0 | 114.6 | F551 | F551-E553 VanDerWaalsContact C-OE2 3.24Å; F551-E553 WeakPolarHBondContact CA-OE2 3.36Å; F551-E553 PolarHBondContact O-N 2.95Å |
| 554 | I | 96.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -105.9 | 3.9 | 176.3 | 61.9 | 169.1 | 0 | 0 | 0 | 113.5 | P518 L519 F522 F547 F551 P552 P556 Q557 I558 | P518-I554 HydrophobicContact CB-CD1 3.89Å; P518-I554 HydrophobicContact CB-CG1 4.45Å; P518-I554 HydrophobicContact CB-CG2 4.38Å; L519-I554 HydrophobicContact CB-CG2 3.81Å; L519-I554 HydrophobicContact CD1-CG2 3.98Å; L519-I554 HydrophobicContact CG-CG2 4.44Å; F522-I554 HydrophobicContact CB-CD1 4.07Å; F547-I554 HydrophobicContact CB-CD1 4.24Å; F547-I554 HydrophobicContact CD2-CD1 4.35Å; F551-I554 HydrophobicContact CB-CD1 4Å; F551-I554 HydrophobicContact CB-CG1 3.73Å; F551-I554 HydrophobicContact CD2-CD1 4.23Å; F551-I554 WeakPolarHBondContact O-CG1 3.36Å; F551-I554 PolarHBondContact O-N 3.16Å; F551-I554 VanDerWaalsContact O-N 3.13Å; P552-I554 VanDerWaalsContact C-N 3.32Å; P552-I554 PolarHBondContact O-N 3.38Å; I554-P556 VanDerWaalsContact C-CD 3.48Å; I554-Q557 VanDerWaalsContact CA-OE1 3.24Å; I554-Q557 PolarHBondContact O-N 3.33Å; I554-Q557 PolarHBondContact O-OE1 3.34Å; I554-I558 HydrophobicContact CD1-CD1 3.88Å; I554-I558 HydrophobicContact CG1-CD1 3.92Å; I554-I558 PolarHBondContact O-N 3.42Å |
| 555 | K | 95.7 | Very high | 95 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 24% | 0.235 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.3 | -45.4 | 178.8 | 173.2 | 177.5 | -176.6 | 173.6 | 0 | 113.5 | V548 P552 Q557 I558 M559 S586 | V548-K555 HydrophobicContact CG1-CB 4.32Å; V548-K555 HydrophobicContact CG1-CD 3.85Å; V548-K555 HydrophobicContact CG1-CG 3.79Å; V548-K555 HydrophobicContact CG2-CG 4.37Å; P552-K555 VanDerWaalsContact O-CB 3.24Å; P552-K555 WeakPolarHBondContact O-CB 3.41Å; P552-K555 PolarHBondContact O-N 3.32Å; K555-Q557 PolarHBondContact O-N 2.81Å; K555-I558 PolarHBondContact O-N 3.38Å; K555-M559 HydrophobicContact CD-SD 4.49Å; K555-M559 HydrophobicContact CG-CG 4.37Å; K555-M559 HydrophobicContact CG-SD 3.89Å; K555-M559 WeakPolarHBondContact O-CG 3.45Å; K555-M559 PolarHBondContact O-N 3.13Å; K555-S586 WeakPolarHBondContact CE-O 3.37Å; K555-S586 PolarHBondContact NZ-O 3.19Å |
| 556 | P | 96.1 | Very high | 94.6 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.9 | -43.2 | -179 | -25.1 | 35.5 | 0 | 0 | 0 | 113.4 | I554 I558 M559 E560 | I554-P556 VanDerWaalsContact C-CD 3.48Å; P556-I558 VanDerWaalsContact C-N 3.35Å; P556-I558 PolarHBondContact O-N 3.05Å; P556-M559 PolarHBondContact O-N 3.21Å; P556-E560 PolarHBondContact O-N 3.37Å |
| 557 | Q | 96.1 | Very high | 94.3 | Very high | 70 Ų | 70 | 47 Ų | 47 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | -179.4 | -61.7 | 87.1 | -18.6 | 0 | 0 | 111.7 | F522 I554 K555 E560 V561 | F522-Q557 HydrophobicContact CE1-CB 4.29Å; I554-Q557 VanDerWaalsContact CA-OE1 3.24Å; I554-Q557 PolarHBondContact O-N 3.33Å; I554-Q557 PolarHBondContact O-OE1 3.34Å; K555-Q557 PolarHBondContact O-N 2.81Å; Q557-E560 PolarHBondContact O-N 3.36Å; Q557-V561 PolarHBondContact O-N 3.49Å |
| 558 | I | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 176.6 | -69.1 | 166.1 | 0 | 0 | 0 | 110.9 | F522 F547 V548 I554 K555 P556 E560 V561 F562 | F522-I558 HydrophobicContact CD2-CD1 4.33Å; F522-I558 HydrophobicContact CD2-CG1 3.82Å; F522-I558 HydrophobicContact CE1-CG1 4.44Å; F522-I558 HydrophobicContact CE2-CG1 3.6Å; F522-I558 HydrophobicContact CG-CG1 4.33Å; F522-I558 HydrophobicContact CZ-CG1 3.93Å; F547-I558 HydrophobicContact CB-CD1 3.64Å; V548-I558 HydrophobicContact CG2-CB 3.98Å; V548-I558 HydrophobicContact CG2-CD1 4.03Å; V548-I558 HydrophobicContact CG2-CG2 3.59Å; I554-I558 HydrophobicContact CD1-CD1 3.88Å; I554-I558 HydrophobicContact CG1-CD1 3.92Å; I554-I558 PolarHBondContact O-N 3.42Å; K555-I558 PolarHBondContact O-N 3.38Å; P556-I558 VanDerWaalsContact C-N 3.35Å; P556-I558 PolarHBondContact O-N 3.05Å; I558-E560 VanDerWaalsContact C-N 3.27Å; I558-E560 PolarHBondContact O-N 3.17Å; I558-V561 WeakPolarHBondContact O-CB 3.45Å; I558-V561 PolarHBondContact O-N 3.49Å; I558-F562 HydrophobicContact CG2-CD2 3.95Å; I558-F562 HydrophobicContact CG2-CE1 4.3Å; I558-F562 HydrophobicContact CG2-CE2 3.33Å; I558-F562 HydrophobicContact CG2-CZ 3.52Å; I558-F562 PolarHBondContact O-N 2.9Å; I558-F562 VanDerWaalsContact O-N 3.08Å |
| 559 | M | 96.8 | Very high | 93.5 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 21% | 0.207 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 177.2 | -74.3 | 176.7 | 53.1 | 0 | 0 | 112.6 | K555 P556 V561 F562 G563 L583 R587 | K555-M559 HydrophobicContact CD-SD 4.49Å; K555-M559 HydrophobicContact CG-CG 4.37Å; K555-M559 HydrophobicContact CG-SD 3.89Å; K555-M559 WeakPolarHBondContact O-CG 3.45Å; K555-M559 PolarHBondContact O-N 3.13Å; P556-M559 PolarHBondContact O-N 3.21Å; M559-V561 VanDerWaalsContact C-N 3.31Å; M559-F562 PolarHBondContact O-N 3.09Å; M559-G563 PolarHBondContact O-N 2.9Å; M559-L583 HydrophobicContact CB-CD1 4.11Å; M559-L583 HydrophobicContact CE-CD1 4.36Å; M559-L583 HydrophobicContact CG-CD1 4.37Å; M559-R587 HydrophobicContact CE-CG 3.43Å; M559-R587 VanDerWaalsContact CE-CG 3.43Å |
| 560 | E | 96 | Very high | 93.2 | Very high | 144 Ų | 144 | 52.1 Ų | 52.1 | 67% | 0.673 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61 | -40.8 | 172.4 | -70.5 | 175.7 | -175.4 | 0 | 0 | 111.6 | P556 Q557 I558 G563 A564 | P556-E560 PolarHBondContact O-N 3.37Å; Q557-E560 PolarHBondContact O-N 3.36Å; I558-E560 VanDerWaalsContact C-N 3.27Å; I558-E560 PolarHBondContact O-N 3.17Å; E560-G563 PolarHBondContact O-N 3.41Å; E560-A564 PolarHBondContact O-N 2.86Å |
| 561 | V | 96.1 | Very high | 93 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | F522 Y544 Q557 I558 M559 G563 A564 N567 | F522-V561 HydrophobicContact CZ-CG2 3.88Å; Y544-V561 HydrophobicContact CD2-CG1 4.34Å; Y544-V561 HydrophobicContact CE2-CG1 4.21Å; Q557-V561 PolarHBondContact O-N 3.49Å; I558-V561 WeakPolarHBondContact O-CB 3.45Å; I558-V561 PolarHBondContact O-N 3.49Å; M559-V561 VanDerWaalsContact C-N 3.31Å; V561-G563 VanDerWaalsContact C-N 3.29Å; V561-G563 PolarHBondContact O-N 3.42Å; V561-A564 WeakPolarHBondContact O-CB 3.38Å; V561-A564 PolarHBondContact O-N 2.96Å; V561-N567 PolarHBondContact O-ND2 3.36Å |
| 562 | F | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | 176.6 | -61.9 | -39.3 | 0 | 0 | 0 | 112.4 | L541 Y544 V545 V548 I558 M559 A564 Y582 L583 | L541-F562 HydrophobicContact CB-CE1 4.19Å; L541-F562 HydrophobicContact CD2-CD1 3.98Å; L541-F562 HydrophobicContact CD2-CE1 3.96Å; Y544-F562 HydrophobicContact CD2-CE1 4.35Å; V545-F562 HydrophobicContact CB-CE2 4.35Å; V545-F562 HydrophobicContact CB-CZ 3.9Å; V545-F562 HydrophobicContact CG2-CE2 4.47Å; V545-F562 HydrophobicContact CG2-CZ 4.48Å; V548-F562 HydrophobicContact CG2-CE2 4.43Å; I558-F562 HydrophobicContact CG2-CD2 3.95Å; I558-F562 HydrophobicContact CG2-CE1 4.3Å; I558-F562 HydrophobicContact CG2-CE2 3.33Å; I558-F562 HydrophobicContact CG2-CZ 3.52Å; I558-F562 PolarHBondContact O-N 2.9Å; I558-F562 VanDerWaalsContact O-N 3.08Å; M559-F562 PolarHBondContact O-N 3.09Å; F562-A564 VanDerWaalsContact C-N 3.33Å; F562-Y582 HydrophobicContact CE1-CD2 4.11Å; F562-Y582 HydrophobicContact CZ-CD2 4.27Å; F562-L583 HydrophobicContact CB-CB 3.8Å; F562-L583 HydrophobicContact CB-CD1 4.22Å; F562-L583 HydrophobicContact CB-CG 4.48Å |
| 563 | G | 94.2 | Very high | 92.8 | Very high | 31 Ų | 31 | 57.4 Ų | 57.4 | 32% | 0.32 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -79.6 | -7.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | M559 E560 V561 | M559-G563 PolarHBondContact O-N 2.9Å; E560-G563 PolarHBondContact O-N 3.41Å; V561-G563 VanDerWaalsContact C-N 3.29Å; V561-G563 PolarHBondContact O-N 3.42Å |
| 564 | A | 92.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -64.8 | 137.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | E560 V561 F562 V566 N567 A568 | E560-A564 PolarHBondContact O-N 2.86Å; V561-A564 WeakPolarHBondContact O-CB 3.38Å; V561-A564 PolarHBondContact O-N 2.96Å; F562-A564 VanDerWaalsContact C-N 3.33Å; A564-V566 PolarHBondContact O-N 3.18Å; A564-V566 VanDerWaalsContact O-N 3.09Å; A564-N567 WeakPolarHBondContact O-CA 3.35Å; A564-N567 PolarHBondContact O-N 3.45Å; A564-A568 PolarHBondContact O-N 2.86Å |
| 565 | D | 86.9 | Confident | 92.7 | Very high | 124 Ų | 124 | 55.3 Ų | 55.3 | 66% | 0.663 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -55.9 | -32.1 | -178.1 | -69.9 | -26.2 | 0 | 0 | 0 | 113 | N567 C569 | D565-N567 PolarHBondContact O-N 3.32Å; D565-C569 CarbonylContact O-C 3.53Å; D565-C569 WeakPolarHBondContact O-CA 3.46Å; D565-C569 VanDerWaalsContact O-CB 3.3Å; D565-C569 WeakPolarHBondContact O-CB 3.24Å; D565-C569 PolarHBondContact O-N 3.21Å |
| 566 | V | 87.5 | Confident | 92.8 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57 | -24.4 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | A564 N570 | A564-V566 PolarHBondContact O-N 3.18Å; A564-V566 VanDerWaalsContact O-N 3.09Å; V566-N570 WeakPolarHBondContact O-CB 3Å; V566-N570 PolarHBondContact O-ND2 3.25Å |
| 567 | N | 90.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -108.9 | -54.2 | 179.7 | -61.4 | -28.7 | 0 | 0 | 0 | 111.2 | Y529 V561 A564 D565 C569 N570 Q576 A579 | Y529-N567 WeakPolarHBondContact CE1-OD1 3.33Å; Y529-N567 VanDerWaalsContact OH-CG 3.26Å; Y529-N567 PolarHBondContact OH-OD1 3.41Å; V561-N567 PolarHBondContact O-ND2 3.36Å; A564-N567 WeakPolarHBondContact O-CA 3.35Å; A564-N567 PolarHBondContact O-N 3.45Å; D565-N567 PolarHBondContact O-N 3.32Å; N567-C569 VanDerWaalsContact C-N 3.26Å; N567-C569 PolarHBondContact O-N 3Å; N567-N570 WeakPolarHBondContact O-CB 3.28Å; N567-N570 PolarHBondContact O-N 3.31Å; N567-Q576 WeakPolarHBondContact O-CA 3.07Å; N567-A579 HydrophobicContact CB-CB 3.72Å |
| 568 | A | 85.8 | Confident | 92.9 | Very high | 22 Ų | 22 | 57.2 Ų | 57.2 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68 | -23.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A564 Q576 V580 | A564-A568 PolarHBondContact O-N 2.86Å; A568-Q576 WeakPolarHBondContact O-CG 3.33Å; A568-Q576 PolarHBondContact O-NE2 2.97Å; A568-V580 HydrophobicContact CB-CG2 4.35Å |
| 569 | C | 89.1 | Confident | 92.9 | Very high | 88 Ų | 88 | 57.2 Ų | 57.2 | 60% | 0.595 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 21.8 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | D565 N567 | D565-C569 CarbonylContact O-C 3.53Å; D565-C569 WeakPolarHBondContact O-CA 3.46Å; D565-C569 VanDerWaalsContact O-CB 3.3Å; D565-C569 WeakPolarHBondContact O-CB 3.24Å; D565-C569 PolarHBondContact O-N 3.21Å; N567-C569 VanDerWaalsContact C-N 3.26Å; N567-C569 PolarHBondContact O-N 3Å |
| 570 | N | 87.4 | Confident | 92.9 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 18% | 0.176 | 34% | 0.34 | C | S | . | . | trans | -66.6 | 145.6 | 179.8 | -156.7 | -71.4 | 0 | 0 | 0 | 111.4 | V566 N567 D572 L575 | V566-N570 WeakPolarHBondContact O-CB 3Å; V566-N570 PolarHBondContact O-ND2 3.25Å; N567-N570 WeakPolarHBondContact O-CB 3.28Å; N567-N570 PolarHBondContact O-N 3.31Å; N570-D572 VanDerWaalsContact C-N 3.29Å; N570-D572 WeakPolarHBondContact OD1-CB 3.42Å; N570-D572 PolarHBondContact OD1-N 3.37Å; N570-L575 HydrophobicContact CB-CD2 4.35Å | ||
| 571 | A | 88.9 | Confident | 92.9 | Very high | 100 Ų | 100 | 56.5 Ų | 56.5 | 83% | 0.826 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -71.5 | -24.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | T573 | A571-T573 PolarHBondContact O-N 3.39Š|
| 572 | D | 91.2 | Very high | 93 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -74.5 | 112.4 | 173.1 | -171.8 | -76.8 | 0 | 0 | 0 | 110 | N534 N570 E574 L575 Q576 | N534-D572 HydrophobicContact CB-CB 4.49Å; N534-D572 WeakPolarHBondContact CB-OD2 3.39Å; N534-D572 VanDerWaalsContact ND2-CB 3.34Å; N534-D572 WeakPolarHBondContact ND2-CB 3.26Å; N534-D572 PolarHBondContact ND2-OD2 2.81Å; N570-D572 VanDerWaalsContact C-N 3.29Å; N570-D572 WeakPolarHBondContact OD1-CB 3.42Å; N570-D572 PolarHBondContact OD1-N 3.37Å; D572-E574 VanDerWaalsContact C-N 3.33Å; D572-E574 PolarHBondContact O-N 3.28Å; D572-E574 PolarHBondContact OD1-N 3.49Å; D572-L575 HydrophobicContact CB-CB 4.05Å; D572-L575 PolarHBondContact O-N 2.89Å; D572-L575 WeakPolarHBondContact OD1-CB 3.29Å; D572-L575 PolarHBondContact OD1-N 3.32Å; D572-Q576 WeakPolarHBondContact O-CB 3.44Å; D572-Q576 PolarHBondContact O-N 3.49Å |
| 573 | T | 93.1 | Very high | 93 | Very high | 108 Ų | 108 | 58.7 Ų | 58.7 | 66% | 0.663 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.7 | -36.1 | -172 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | A571 Q577 | A571-T573 PolarHBondContact O-N 3.39Å; T573-Q577 WeakPolarHBondContact O-CB 3.32Å; T573-Q577 PolarHBondContact O-N 2.91Å |
| 574 | E | 94.2 | Very high | 93.1 | Very high | 82 Ų | 82 | 59.2 Ų | 59.2 | 38% | 0.383 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 179.1 | 179.1 | 66.7 | -165.4 | 0 | 0 | 110.6 | D572 Q577 R578 | D572-E574 VanDerWaalsContact C-N 3.33Å; D572-E574 PolarHBondContact O-N 3.28Å; D572-E574 PolarHBondContact OD1-N 3.49Å; E574-Q577 PolarHBondContact O-N 2.91Å; E574-R578 WeakPolarHBondContact O-CG 3.28Å; E574-R578 PolarHBondContact O-N 3.24Å; E574-R578 VanDerWaalsContact O-N 3.09Å; E574-R578 IonicContact OE1-CZ 3.6Å; E574-R578 IonicContact OE1-NE 3.53Å; E574-R578 PolarHBondContact OE1-NE 3.45Å; E574-R578 IonicContact OE1-NH2 2.9Å; E574-R578 PolarHBondContact OE1-NH2 3.43Å |
| 575 | L | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65 | -44.2 | 178 | -172.8 | 66.3 | 0 | 0 | 0 | 111.7 | K537 L541 N570 D572 A579 | K537-L575 HydrophobicContact CB-CD1 3.56Å; K537-L575 HydrophobicContact CB-CD2 4.18Å; K537-L575 HydrophobicContact CD-CD2 4Å; L541-L575 HydrophobicContact CD1-CD1 3.56Å; L541-L575 HydrophobicContact CD1-CG 4.36Å; L541-L575 HydrophobicContact CG-CD1 4.09Å; N570-L575 HydrophobicContact CB-CD2 4.35Å; D572-L575 HydrophobicContact CB-CB 4.05Å; D572-L575 PolarHBondContact O-N 2.89Å; D572-L575 WeakPolarHBondContact OD1-CB 3.29Å; D572-L575 PolarHBondContact OD1-N 3.32Å; L575-A579 WeakPolarHBondContact O-CB 3.36Å; L575-A579 PolarHBondContact O-N 3.32Å |
| 576 | Q | 96.8 | Very high | 93.5 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 34% | 0.341 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 176.8 | -178.8 | -176.7 | 56.9 | 0 | 0 | 111.4 | N567 A568 D572 R578 A579 V580 | N567-Q576 WeakPolarHBondContact O-CA 3.07Å; A568-Q576 WeakPolarHBondContact O-CG 3.33Å; A568-Q576 PolarHBondContact O-NE2 2.97Å; D572-Q576 WeakPolarHBondContact O-CB 3.44Å; D572-Q576 PolarHBondContact O-N 3.49Å; Q576-R578 PolarHBondContact O-N 3.4Å; Q576-A579 PolarHBondContact O-N 3.47Å; Q576-V580 HydrophobicContact CG-CG2 4.36Å; Q576-V580 WeakPolarHBondContact O-CG2 3.4Å; Q576-V580 PolarHBondContact O-N 2.87Å |
| 577 | Q | 97.1 | Very high | 93.8 | Very high | 99 Ų | 99 | 57.3 Ų | 57.3 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58 | -50.5 | -178.8 | -177.7 | 176.7 | -8.9 | 0 | 0 | 110.9 | T573 E574 A579 V580 E581 | T573-Q577 WeakPolarHBondContact O-CB 3.32Å; T573-Q577 PolarHBondContact O-N 2.91Å; E574-Q577 PolarHBondContact O-N 2.91Å; Q577-A579 VanDerWaalsContact C-N 3.34Å; Q577-A579 PolarHBondContact O-N 3.14Å; Q577-V580 PolarHBondContact O-N 2.73Å; Q577-E581 HydrophobicContact CG-CG 4.26Å; Q577-E581 WeakPolarHBondContact CG-OE1 3.27Å; Q577-E581 PolarHBondContact NE2-OE1 3.24Å; Q577-E581 WeakPolarHBondContact O-CB 3.49Å; Q577-E581 WeakPolarHBondContact O-CG 3.27Å; Q577-E581 PolarHBondContact O-N 3.16Å |
| 578 | R | 97.2 | Very high | 93.9 | Very high | 68 Ų | 68 | 64 Ų | 64 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 176.3 | -72.2 | -178 | -170.5 | -138.2 | 1.2 | 112 | C538 L541 S542 E574 Q576 Y582 | C538-R578 PolarHBondContact O-NH1 2.84Å; L541-R578 HydrophobicContact CD1-CB 4.29Å; S542-R578 PolarHBondContact OG-NH1 2.96Å; E574-R578 WeakPolarHBondContact O-CG 3.28Å; E574-R578 PolarHBondContact O-N 3.24Å; E574-R578 VanDerWaalsContact O-N 3.09Å; E574-R578 IonicContact OE1-CZ 3.6Å; E574-R578 IonicContact OE1-NE 3.53Å; E574-R578 PolarHBondContact OE1-NE 3.45Å; E574-R578 IonicContact OE1-NH2 2.9Å; E574-R578 PolarHBondContact OE1-NH2 3.43Å; Q576-R578 PolarHBondContact O-N 3.4Å; R578-Y582 HydrophobicContact CB-CD2 4.17Å; R578-Y582 HydrophobicContact CB-CE2 3.81Å; R578-Y582 HydrophobicContact CG-CE2 4.21Å; R578-Y582 WeakPolarHBondContact O-CB 3.49Å; R578-Y582 WeakPolarHBondContact O-CD2 3.47Å; R578-Y582 PolarHBondContact O-N 3.12Å |
| 579 | A | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L541 N567 L575 Q576 Q577 L583 | L541-A579 HydrophobicContact CD1-CB 3.86Å; N567-A579 HydrophobicContact CB-CB 3.72Å; L575-A579 WeakPolarHBondContact O-CB 3.36Å; L575-A579 PolarHBondContact O-N 3.32Å; Q576-A579 PolarHBondContact O-N 3.47Å; Q577-A579 VanDerWaalsContact C-N 3.34Å; Q577-A579 PolarHBondContact O-N 3.14Å; A579-L583 VanDerWaalsContact O-CB 3.26Å; A579-L583 WeakPolarHBondContact O-CB 3.41Å; A579-L583 PolarHBondContact O-N 2.92Å |
| 580 | V | 97.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 63 Ų | 63 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.2 | -44.7 | -178.1 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | A568 Q576 Q577 L583 A584 | A568-V580 HydrophobicContact CB-CG2 4.35Å; Q576-V580 HydrophobicContact CG-CG2 4.36Å; Q576-V580 WeakPolarHBondContact O-CG2 3.4Å; Q576-V580 PolarHBondContact O-N 2.87Å; Q577-V580 PolarHBondContact O-N 2.73Å; V580-L583 PolarHBondContact O-N 3.01Å; V580-A584 WeakPolarHBondContact O-CB 3.42Å; V580-A584 PolarHBondContact O-N 3.23Å |
| 581 | E | 96.6 | Very high | 94.3 | Very high | 103 Ų | 103 | 66.5 Ų | 66.5 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 179.8 | -71.2 | -178.9 | -171.7 | 0 | 0 | 111.8 | Q577 L583 A584 M585 | Q577-E581 HydrophobicContact CG-CG 4.26Å; Q577-E581 WeakPolarHBondContact CG-OE1 3.27Å; Q577-E581 PolarHBondContact NE2-OE1 3.24Å; Q577-E581 WeakPolarHBondContact O-CB 3.49Å; Q577-E581 WeakPolarHBondContact O-CG 3.27Å; Q577-E581 PolarHBondContact O-N 3.16Å; E581-L583 VanDerWaalsContact C-N 3.32Å; E581-L583 PolarHBondContact O-N 3.45Å; E581-A584 PolarHBondContact O-N 3.35Å; E581-M585 VanDerWaalsContact O-CB 3.3Å; E581-M585 WeakPolarHBondContact O-CB 3.34Å; E581-M585 PolarHBondContact O-N 3.21Å |
| 582 | Y | 97.5 | Very high | 94.4 | Very high | 42 Ų | 42 | 67.8 Ų | 67.8 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 176.4 | -63.9 | -17.3 | 0 | 0 | 0 | 112.1 | L541 S542 V545 F562 R578 M585 S586 | L541-Y582 HydrophobicContact CB-CD2 4.1Å; L541-Y582 HydrophobicContact CB-CE2 4.07Å; L541-Y582 WeakPolarHBondContact O-CD2 3.25Å; L541-Y582 WeakPolarHBondContact O-CE2 3.36Å; S542-Y582 PolarHBondContact OG-OH 3.07Å; V545-Y582 HydrophobicContact CB-CD1 4.19Å; V545-Y582 HydrophobicContact CB-CD2 3.94Å; V545-Y582 HydrophobicContact CB-CE2 4.44Å; V545-Y582 HydrophobicContact CB-CG 3.81Å; V545-Y582 HydrophobicContact CG1-CD1 3.95Å; V545-Y582 HydrophobicContact CG1-CD2 3.93Å; V545-Y582 HydrophobicContact CG1-CE1 3.94Å; V545-Y582 HydrophobicContact CG1-CE2 3.93Å; V545-Y582 HydrophobicContact CG1-CG 3.94Å; V545-Y582 HydrophobicContact CG2-CD1 4.08Å; V545-Y582 HydrophobicContact CG2-CG 3.93Å; F562-Y582 HydrophobicContact CE1-CD2 4.11Å; F562-Y582 HydrophobicContact CZ-CD2 4.27Å; R578-Y582 HydrophobicContact CB-CD2 4.17Å; R578-Y582 HydrophobicContact CB-CE2 3.81Å; R578-Y582 HydrophobicContact CG-CE2 4.21Å; R578-Y582 WeakPolarHBondContact O-CB 3.49Å; R578-Y582 WeakPolarHBondContact O-CD2 3.47Å; R578-Y582 PolarHBondContact O-N 3.12Å; Y582-M585 HydrophobicContact CD1-CE 4.03Å; Y582-S586 VanDerWaalsContact O-CB 3.24Å; Y582-S586 WeakPolarHBondContact O-CB 3.48Å; Y582-S586 PolarHBondContact O-N 3.09Å; Y582-S586 PolarHBondContact O-OG 3.44Å |
| 583 | L | 97.1 | Very high | 94.5 | Very high | 19 Ų | 19 | 68.7 Ų | 68.7 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 172.1 | -179.1 | 59.7 | 0 | 0 | 0 | 111.8 | M559 F562 A579 V580 E581 S586 R587 | M559-L583 HydrophobicContact CB-CD1 4.11Å; M559-L583 HydrophobicContact CE-CD1 4.36Å; M559-L583 HydrophobicContact CG-CD1 4.37Å; F562-L583 HydrophobicContact CB-CB 3.8Å; F562-L583 HydrophobicContact CB-CD1 4.22Å; F562-L583 HydrophobicContact CB-CG 4.48Å; A579-L583 VanDerWaalsContact O-CB 3.26Å; A579-L583 WeakPolarHBondContact O-CB 3.41Å; A579-L583 PolarHBondContact O-N 2.92Å; V580-L583 PolarHBondContact O-N 3.01Å; E581-L583 VanDerWaalsContact C-N 3.32Å; E581-L583 PolarHBondContact O-N 3.45Å; L583-S586 PolarHBondContact O-N 3.28Å; L583-R587 WeakPolarHBondContact O-CG 3.34Å; L583-R587 PolarHBondContact O-N 2.89Å; L583-R587 VanDerWaalsContact O-N 3.12Å |
| 584 | A | 95.9 | Very high | 94.4 | Very high | 43 Ų | 43 | 64 Ų | 64 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V580 E581 S586 R587 I588 | V580-A584 WeakPolarHBondContact O-CB 3.42Å; V580-A584 PolarHBondContact O-N 3.23Å; E581-A584 PolarHBondContact O-N 3.35Å; A584-S586 VanDerWaalsContact C-N 3.35Å; A584-S586 PolarHBondContact O-N 3.31Å; A584-R587 PolarHBondContact O-N 3.14Å; A584-R587 VanDerWaalsContact O-N 3.12Å; A584-I588 WeakPolarHBondContact O-CG1 3.38Å; A584-I588 PolarHBondContact O-N 3.27Å |
| 585 | M | 94.6 | Very high | 94.3 | Very high | 38 Ų | 38 | 62.3 Ų | 62.3 | 19% | 0.187 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 176 | -174.8 | 171.3 | 61.2 | 0 | 0 | 111.2 | V545 E581 Y582 R587 I588 A589 L594 V597 L598 | V545-M585 HydrophobicContact CG2-CE 3.42Å; V545-M585 VanDerWaalsContact CG2-CE 3.42Å; E581-M585 VanDerWaalsContact O-CB 3.3Å; E581-M585 WeakPolarHBondContact O-CB 3.34Å; E581-M585 PolarHBondContact O-N 3.21Å; Y582-M585 HydrophobicContact CD1-CE 4.03Å; M585-R587 PolarHBondContact O-N 2.88Å; M585-I588 PolarHBondContact O-N 2.93Å; M585-A589 HydrophobicContact CG-CB 4Å; M585-A589 WeakPolarHBondContact O-CB 3.14Å; M585-A589 PolarHBondContact O-N 3.43Å; M585-L594 HydrophobicContact CG-CD2 3.79Å; M585-L594 HydrophobicContact SD-CD2 4.37Å; M585-V597 HydrophobicContact SD-CG1 3.92Å; M585-L598 HydrophobicContact CE-CD1 4.11Å; M585-L598 HydrophobicContact CE-CD2 4.13Å; M585-L598 HydrophobicContact CE-CG 4.37Å |
| 586 | S | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.8 | -28.1 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | K555 Y582 L583 A584 | K555-S586 WeakPolarHBondContact CE-O 3.37Å; K555-S586 PolarHBondContact NZ-O 3.19Å; Y582-S586 VanDerWaalsContact O-CB 3.24Å; Y582-S586 WeakPolarHBondContact O-CB 3.48Å; Y582-S586 PolarHBondContact O-N 3.09Å; Y582-S586 PolarHBondContact O-OG 3.44Å; L583-S586 PolarHBondContact O-N 3.28Å; A584-S586 VanDerWaalsContact C-N 3.35Å; A584-S586 PolarHBondContact O-N 3.31Å |
| 587 | R | 93.8 | Very high | 93.9 | Very high | 165 Ų | 165 | 67.6 Ų | 67.6 | 62% | 0.623 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -81.6 | -40.5 | 178.7 | -75.2 | 174.5 | 178.9 | 179.6 | 1 | 113.5 | M559 L583 A584 M585 | M559-R587 HydrophobicContact CE-CG 3.43Å; M559-R587 VanDerWaalsContact CE-CG 3.43Å; L583-R587 WeakPolarHBondContact O-CG 3.34Å; L583-R587 PolarHBondContact O-N 2.89Å; L583-R587 VanDerWaalsContact O-N 3.12Å; A584-R587 PolarHBondContact O-N 3.14Å; A584-R587 VanDerWaalsContact O-N 3.12Å; M585-R587 PolarHBondContact O-N 2.88Å |
| 588 | I | 93.1 | Very high | 93.7 | Very high | 144 Ų | 144 | 63.9 Ų | 63.9 | 74% | 0.738 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -107.4 | -33.7 | -162.8 | -55.9 | 167 | 0 | 0 | 0 | 112.1 | A584 M585 | A584-I588 WeakPolarHBondContact O-CG1 3.38Å; A584-I588 PolarHBondContact O-N 3.27Å; M585-I588 PolarHBondContact O-N 2.93Å |
| 589 | A | 90.8 | Very high | 93.3 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 21% | 0.207 | 37% | 0.367 | C | S | . | . | trans | -68.3 | 139.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M585 V593 L594 | M585-A589 HydrophobicContact CG-CB 4Å; M585-A589 WeakPolarHBondContact O-CB 3.14Å; M585-A589 PolarHBondContact O-N 3.43Å; A589-V593 HydrophobicContact CB-CB 4.26Å; A589-V593 HydrophobicContact CB-CG1 4Å; A589-L594 HydrophobicContact CB-CD2 3.84Å; A589-L594 HydrophobicContact CB-CG 3.83Å | ||
| 590 | S | 91.3 | Very high | 92.9 | Very high | 62 Ų | 62 | 71.6 Ų | 71.6 | 43% | 0.434 | 39% | 0.39 | S | S | . | . | trans | -70.4 | 162.4 | 169.4 | 65.5 | 0 | 0 | 0 | 0 | 110.8 | D592 V593 L594 | S590-D592 VanDerWaalsContact C-N 3.25Å; S590-D592 PolarHBondContact O-N 3.12Å; S590-V593 PolarHBondContact O-N 3.26Å; S590-V593 VanDerWaalsContact O-N 3.16Å; S590-V593 WeakPolarHBondContact OG-CG2 3.23Å; S590-V593 PolarHBondContact OG-N 3.41Å; S590-L594 PolarHBondContact O-N 2.84Å | ||
| 591 | T | 89.2 | Confident | 92.6 | Very high | 108 Ų | 108 | 72 Ų | 72 | 66% | 0.663 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -55.9 | -40.9 | 176.6 | -47.4 | 0 | 0 | 0 | 0 | 111.9 | V593 L594 A595 | T591-V593 PolarHBondContact O-N 3.45Å; T591-L594 PolarHBondContact O-N 3.08Å; T591-A595 WeakPolarHBondContact O-CB 3.48Å; T591-A595 PolarHBondContact O-N 2.84Å |
| 592 | D | 91.1 | Very high | 92.3 | Very high | 127 Ų | 127 | 71 Ų | 71 | 68% | 0.679 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | 179.1 | -56.6 | -34.7 | 0 | 0 | 0 | 112.2 | S590 A595 T596 | S590-D592 VanDerWaalsContact C-N 3.25Å; S590-D592 PolarHBondContact O-N 3.12Å; D592-A595 PolarHBondContact O-N 3.15Å; D592-T596 WeakPolarHBondContact O-CB 3.49Å; D592-T596 PolarHBondContact O-N 3.22Å; D592-T596 PolarHBondContact O-OG1 3.48Å |
| 593 | V | 92 | Very high | 91.8 | Very high | 69 Ų | 69 | 73.9 Ų | 73.9 | 42% | 0.418 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.2 | -44 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | A589 S590 T591 A595 T596 V597 | A589-V593 HydrophobicContact CB-CB 4.26Å; A589-V593 HydrophobicContact CB-CG1 4Å; S590-V593 PolarHBondContact O-N 3.26Å; S590-V593 VanDerWaalsContact O-N 3.16Å; S590-V593 WeakPolarHBondContact OG-CG2 3.23Å; S590-V593 PolarHBondContact OG-N 3.41Å; T591-V593 PolarHBondContact O-N 3.45Å; V593-A595 VanDerWaalsContact C-N 3.34Å; V593-A595 PolarHBondContact O-N 3.44Å; V593-T596 PolarHBondContact O-N 3.44Å; V593-V597 HydrophobicContact CG1-CG2 4.12Å; V593-V597 WeakPolarHBondContact O-CB 3.48Å; V593-V597 VanDerWaalsContact O-CG2 3.29Å; V593-V597 WeakPolarHBondContact O-CG2 3.44Å; V593-V597 PolarHBondContact O-N 2.94Å |
| 594 | L | 91.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 75.8 Ų | 75.8 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 175.5 | -71.5 | 173.3 | 0 | 0 | 0 | 111.2 | V548 M585 A589 S590 T591 T596 V597 L598 | V548-L594 HydrophobicContact CG1-CD1 4.43Å; M585-L594 HydrophobicContact CG-CD2 3.79Å; M585-L594 HydrophobicContact SD-CD2 4.37Å; A589-L594 HydrophobicContact CB-CD2 3.84Å; A589-L594 HydrophobicContact CB-CG 3.83Å; S590-L594 PolarHBondContact O-N 2.84Å; T591-L594 PolarHBondContact O-N 3.08Å; L594-T596 VanDerWaalsContact C-N 3.29Å; L594-T596 PolarHBondContact O-N 2.97Å; L594-V597 PolarHBondContact O-N 2.71Å; L594-L598 HydrophobicContact CD2-CD1 3.97Å; L594-L598 VanDerWaalsContact O-CB 3.23Å; L594-L598 WeakPolarHBondContact O-CB 3.35Å; L594-L598 PolarHBondContact O-N 2.91Å |
| 595 | A | 90.8 | Very high | 90.9 | Very high | 47 Ų | 47 | 77.3 Ų | 77.3 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | N549 T591 D592 V593 E599 | N549-A595 VanDerWaalsContact OD1-CA 3.3Å; N549-A595 WeakPolarHBondContact OD1-CA 3.36Å; N549-A595 PolarHBondContact OD1-N 3.34Å; T591-A595 WeakPolarHBondContact O-CB 3.48Å; T591-A595 PolarHBondContact O-N 2.84Å; D592-A595 PolarHBondContact O-N 3.15Å; V593-A595 VanDerWaalsContact C-N 3.34Å; V593-A595 PolarHBondContact O-N 3.44Å; A595-E599 PolarHBondContact O-N 3.37Å |
| 596 | T | 92 | Very high | 89.7 | Confident | 95 Ų | 95 | 82.8 Ų | 82.8 | 58% | 0.583 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -73.2 | -45.9 | 178.3 | -50.6 | 0 | 0 | 0 | 0 | 111.8 | D592 V593 L594 | D592-T596 WeakPolarHBondContact O-CB 3.49Å; D592-T596 PolarHBondContact O-N 3.22Å; D592-T596 PolarHBondContact O-OG1 3.48Å; V593-T596 PolarHBondContact O-N 3.44Å; L594-T596 VanDerWaalsContact C-N 3.29Å; L594-T596 PolarHBondContact O-N 2.97Å |
| 597 | V | 91.5 | Very high | 88.5 | Confident | 89 Ų | 89 | 90.3 Ų | 90.3 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.6 | -29.6 | -175.1 | 173.5 | 0 | 0 | 0 | 0 | 112.1 | M585 V593 L594 | M585-V597 HydrophobicContact SD-CG1 3.92Å; V593-V597 HydrophobicContact CG1-CG2 4.12Å; V593-V597 WeakPolarHBondContact O-CB 3.48Å; V593-V597 VanDerWaalsContact O-CG2 3.29Å; V593-V597 WeakPolarHBondContact O-CG2 3.44Å; V593-V597 PolarHBondContact O-N 2.94Å; L594-V597 PolarHBondContact O-N 2.71Å |
| 598 | L | 93.3 | Very high | 87.2 | Confident | 20 Ų | 20 | 91.6 Ų | 91.6 | 11% | 0.105 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 29.2 | -175.9 | -57.4 | 166.9 | 0 | 0 | 0 | 111.7 | V545 K546 N549 M585 L594 | V545-L598 HydrophobicContact CG1-CD2 3.76Å; V545-L598 HydrophobicContact CG2-CD1 4.02Å; V545-L598 HydrophobicContact CG2-CD2 4.45Å; V545-L598 WeakPolarHBondContact O-CD1 3.46Å; K546-L598 HydrophobicContact CG-CD2 4.44Å; N549-L598 HydrophobicContact CB-CB 4.01Å; N549-L598 HydrophobicContact CB-CD1 3.81Å; M585-L598 HydrophobicContact CE-CD1 4.11Å; M585-L598 HydrophobicContact CE-CD2 4.13Å; M585-L598 HydrophobicContact CE-CG 4.37Å; L594-L598 HydrophobicContact CD2-CD1 3.97Å; L594-L598 VanDerWaalsContact O-CB 3.23Å; L594-L598 WeakPolarHBondContact O-CB 3.35Å; L594-L598 PolarHBondContact O-N 2.91Å |
| 599 | E | 89.2 | Confident | 85.9 | Confident | 126 Ų | 126 | 85.3 Ų | 85.3 | 59% | 0.589 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 160.4 | 172.6 | 65.2 | -178.7 | -174.5 | 0 | 0 | 111.6 | K546 A595 M601 | K546-E599 PolarHBondContact NZ-O 3.39Å; A595-E599 PolarHBondContact O-N 3.37Å; E599-M601 PolarHBondContact O-N 3.12Å |
| 600 | E | 88.6 | Confident | 85.2 | Confident | 104 Ų | 104 | 86.4 Ų | 86.4 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -58 | 138.4 | 173.5 | -69.9 | -178.9 | -164.2 | 0 | 0 | 109.8 | E505 | E505-E600 WeakPolarHBondContact OE2-CA 3.39Š|
| 601 | M | 90 | Very high | 84.4 | Confident | 77 Ų | 77 | 83.5 Ų | 83.5 | 38% | 0.379 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 132 | 179.1 | -76.3 | -68.8 | -60.1 | 0 | 0 | 110.3 | E505 E599 | E505-M601 WeakPolarHBondContact OE1-CG 3.38Å; E505-M601 PolarHBondContact OE2-N 3.27Å; E505-M601 VanDerWaalsContact OE2-N 3.1Å; E599-M601 PolarHBondContact O-N 3.12Å |
| 602 | P | 89.6 | Confident | 83.5 | Confident | 82 Ų | 82 | 82.1 Ų | 82.1 | 53% | 0.532 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 153.6 | 179.1 | 26.3 | -34.6 | 0 | 0 | 0 | 110.7 | F604 | P602-F604 PolarHBondContact O-N 3.36Š|
| 603 | P | 88.8 | Confident | 82.4 | Confident | 103 Ų | 103 | 81.1 Ų | 81.1 | 67% | 0.669 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 131.5 | 177.5 | -26.9 | 34.3 | 0 | 0 | 0 | 111.9 | N470 | N470-P603 WeakPolarHBondContact OD1-CA 3.37Š|
| 604 | F | 87.9 | Confident | 81 | Confident | 58 Ų | 58 | 81 Ų | 81 | 25% | 0.254 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 141.3 | 176.1 | -65.6 | -86.3 | 0 | 0 | 0 | 110.4 | I465 Q466 V469 N470 P602 E606 | I465-F604 HydrophobicContact CG2-CE2 4.31Å; I465-F604 HydrophobicContact CG2-CZ 4.49Å; Q466-F604 HydrophobicContact CB-CB 4.4Å; Q466-F604 HydrophobicContact CB-CD2 4.07Å; Q466-F604 HydrophobicContact CB-CG 4.29Å; Q466-F604 HydrophobicContact CG-CB 4.11Å; Q466-F604 HydrophobicContact CG-CD1 4.12Å; Q466-F604 HydrophobicContact CG-CD2 3.85Å; Q466-F604 HydrophobicContact CG-CE2 4.26Å; Q466-F604 HydrophobicContact CG-CG 3.76Å; V469-F604 HydrophobicContact CB-CD2 4.06Å; V469-F604 HydrophobicContact CB-CE2 3.84Å; V469-F604 HydrophobicContact CG1-CD2 4.01Å; V469-F604 HydrophobicContact CG1-CE2 3.88Å; V469-F604 HydrophobicContact CG2-CE2 4Å; N470-F604 PolarHBondContact ND2-O 3.23Å; N470-F604 PolarHBondContact OD1-N 3.46Å; P602-F604 PolarHBondContact O-N 3.36Å; F604-E606 PolarHBondContact O-N 3.1Å |
| 605 | A | 84.8 | Confident | 79.7 | Confident | 76 Ų | 76 | 81.4 Ų | 81.4 | 63% | 0.628 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 134.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K607 | A605-K607 PolarHBondContact O-N 2.62Å; A605-K607 VanDerWaalsContact O-N 3.16Å |
| 606 | E | 70.3 | Confident | 78.3 | Confident | 153 Ų | 153 | 87.1 Ų | 87.1 | 72% | 0.715 | 46% | 0.456 | S | S | * | . | trans | -65.3 | 115.4 | 175.2 | -66.4 | -170.6 | 163.7 | 0 | 0 | 109.5 | R471 F604 | R471-E606 IonicContact NH2-OE1 2.68Å; R471-E606 PolarHBondContact NH2-OE1 3.01Å; F604-E606 PolarHBondContact O-N 3.1Å | ||
| 607 | K | 69.6 | Low | 76.3 | Confident | 158 Ų | 158 | 85.9 Ų | 85.9 | 69% | 0.687 | 46% | 0.462 | S | S | * | . | trans | -119.7 | 154.8 | 175.9 | -69.1 | -177.9 | -179.7 | 178.6 | 0 | 109.9 | A605 | A605-K607 PolarHBondContact O-N 2.62Å; A605-K607 VanDerWaalsContact O-N 3.16Å | ||
| 608 | E | 65.1 | Low | 74.5 | Confident | 191 Ų | 191 | 86.3 Ų | 86.3 | 89% | 0.893 | 46% | 0.457 | S | S | * | . | trans | -57.8 | 137.8 | 167.9 | -70.3 | -170.5 | 169.7 | 0 | 0 | 110.5 | S610 | E608-S610 PolarHBondContact O-N 3.02Š| ||
| 609 | S | 66.5 | Low | 72.1 | Confident | 13 Ų | 13 | 90 Ų | 90 | 9% | 0.091 | 47% | 0.474 | C | S | . | . | trans | -68.5 | 127 | -178.1 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | L611 F612 | S609-L611 PolarHBondContact O-N 3.04Å; S609-L611 VanDerWaalsContact O-N 3.15Å; S609-L611 WeakPolarHBondContact OG-CB 3.48Å; S609-L611 WeakPolarHBondContact OG-CG 3.47Å; S609-L611 PolarHBondContact OG-N 3.47Å; S609-F612 PolarHBondContact O-N 3.3Å | ||
| 610 | S | 76.4 | Confident | 69.4 | Low | 48 Ų | 48 | 87.9 Ų | 87.9 | 34% | 0.336 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -19.3 | 176.4 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | E459 E608 F612 V613 K614 | E459-S610 WeakPolarHBondContact CB-OG 3.47Å; E459-S610 VanDerWaalsContact CG-OG 3.28Å; E459-S610 WeakPolarHBondContact CG-OG 3.39Å; E459-S610 WeakPolarHBondContact OE2-CB 3.33Å; E459-S610 PolarHBondContact OE2-OG 3.26Å; E608-S610 PolarHBondContact O-N 3.02Å; S610-F612 VanDerWaalsContact C-N 3.25Å; S610-F612 PolarHBondContact O-N 3.46Å; S610-V613 WeakPolarHBondContact O-CB 3.18Å; S610-V613 PolarHBondContact O-N 2.91Å; S610-V613 VanDerWaalsContact O-N 3.09Å; S610-K614 PolarHBondContact O-N 3.19Å; S610-K614 VanDerWaalsContact O-N 3.12Å |
| 611 | L | 73.4 | Confident | 66.4 | Low | 1 Ų | 1 | 86.5 Ų | 86.5 | 1% | 0.005 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -59.3 | -36.5 | 178.2 | -59.4 | 177.8 | 0 | 0 | 0 | 111.9 | L425 A428 V429 E459 V460 S609 V613 K614 L615 | L425-L611 HydrophobicContact CD1-CD2 4.36Å; A428-L611 HydrophobicContact CB-CD1 4.08Å; V429-L611 HydrophobicContact CG2-CB 3.93Å; E459-L611 HydrophobicContact CB-CD2 4.34Å; V460-L611 HydrophobicContact CG2-CD2 3.72Å; S609-L611 PolarHBondContact O-N 3.04Å; S609-L611 VanDerWaalsContact O-N 3.15Å; S609-L611 WeakPolarHBondContact OG-CB 3.48Å; S609-L611 WeakPolarHBondContact OG-CG 3.47Å; S609-L611 PolarHBondContact OG-N 3.47Å; L611-V613 VanDerWaalsContact C-N 3.35Å; L611-K614 PolarHBondContact O-N 3.36Å; L611-L615 PolarHBondContact O-N 3.09Å |
| 612 | F | 70.8 | Confident | 63.7 | Low | 78 Ų | 78 | 89.3 Ų | 89.3 | 34% | 0.342 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.1 | -34.7 | 177.4 | -65.9 | -72.4 | 0 | 0 | 0 | 112.3 | V429 E432 S609 S610 L615 K616 | V429-F612 HydrophobicContact CG1-CD1 4.22Å; V429-F612 HydrophobicContact CG1-CE1 3.78Å; V429-F612 HydrophobicContact CG1-CZ 4.48Å; E432-F612 HydrophobicContact CG-CE2 4.47Å; S609-F612 PolarHBondContact O-N 3.3Å; S610-F612 VanDerWaalsContact C-N 3.25Å; S610-F612 PolarHBondContact O-N 3.46Å; F612-L615 PolarHBondContact O-N 3.2Å; F612-K616 PolarHBondContact O-N 2.67Å |
| 613 | V | 68.2 | Low | 60.7 | Low | 106 Ų | 106 | 90 Ų | 90 | 64% | 0.642 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.9 | -45 | 176 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | S610 L611 L615 K616 G617 | S610-V613 WeakPolarHBondContact O-CB 3.18Å; S610-V613 PolarHBondContact O-N 2.91Å; S610-V613 VanDerWaalsContact O-N 3.09Å; L611-V613 VanDerWaalsContact C-N 3.35Å; V613-L615 VanDerWaalsContact C-N 3.33Å; V613-L615 PolarHBondContact O-N 3.11Å; V613-K616 PolarHBondContact O-N 3.44Å; V613-G617 PolarHBondContact O-N 2.94Å |
| 614 | K | 62.7 | Low | 57.7 | Low | 68 Ų | 68 | 93.4 Ų | 93.4 | 30% | 0.296 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 175.3 | -87.8 | -173.2 | 175.8 | 151.9 | 0 | 113.4 | L425 S457 E459 S610 L611 G617 K618 | L425-K614 HydrophobicContact CD1-CB 4.37Å; S457-K614 PolarHBondContact OG-NZ 3.34Å; E459-K614 VanDerWaalsContact CD-CE 3.45Å; E459-K614 WeakPolarHBondContact OE1-CE 3.4Å; E459-K614 IonicContact OE1-NZ 3.21Å; E459-K614 PolarHBondContact OE1-NZ 3.26Å; E459-K614 VanDerWaalsContact OE2-CD 3.3Å; E459-K614 WeakPolarHBondContact OE2-CD 3.32Å; E459-K614 WeakPolarHBondContact OE2-CE 3.32Å; E459-K614 IonicContact OE2-NZ 2.73Å; E459-K614 PolarHBondContact OE2-NZ 2.86Å; S610-K614 PolarHBondContact O-N 3.19Å; S610-K614 VanDerWaalsContact O-N 3.12Å; L611-K614 PolarHBondContact O-N 3.36Å; K614-G617 PolarHBondContact O-N 3.2Å; K614-K618 PolarHBondContact O-N 2.71Å; K614-K618 VanDerWaalsContact O-N 3.17Å |
| 615 | L | 64.3 | Low | 54.8 | Low | 16 Ų | 16 | 98.4 Ų | 98.4 | 8% | 0.084 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -62 | -45.4 | 177.6 | -173.7 | 73 | 0 | 0 | 0 | 111.3 | Y393 L425 V429 L611 F612 V613 G617 K618 Q619 | Y393-L615 HydrophobicContact CE1-CD2 4.3Å; Y393-L615 WeakPolarHBondContact OH-CD2 3.47Å; L425-L615 HydrophobicContact CD2-CD1 4.23Å; V429-L615 HydrophobicContact CG1-CD2 4.46Å; L611-L615 PolarHBondContact O-N 3.09Å; F612-L615 PolarHBondContact O-N 3.2Å; V613-L615 VanDerWaalsContact C-N 3.33Å; V613-L615 PolarHBondContact O-N 3.11Å; L615-G617 PolarHBondContact O-N 3.33Å; L615-K618 PolarHBondContact O-N 2.92Å; L615-Q619 PolarHBondContact O-N 3.43Å |
| 616 | K | 60.7 | Low | 52 | Low | 168 Ų | 168 | 100.9 Ų | 100.9 | 73% | 0.73 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.2 | -33.9 | 175.7 | -72.1 | -177.4 | 179.2 | -178.5 | 0 | 112.6 | F612 V613 K618 | F612-K616 PolarHBondContact O-N 2.67Å; V613-K616 PolarHBondContact O-N 3.44Å; K616-K618 VanDerWaalsContact C-N 3.33Å |
| 617 | G | 50.8 | Low | 49.8 | Very low | 68 Ų | 68 | 98.5 Ų | 98.5 | 70% | 0.701 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -74.4 | -17 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V613 K614 L615 | V613-G617 PolarHBondContact O-N 2.94Å; K614-G617 PolarHBondContact O-N 3.2Å; L615-G617 PolarHBondContact O-N 3.33Å |
| 618 | K | 54.8 | Low | 47.8 | Very low | 98 Ų | 98 | 96.4 Ų | 96.4 | 43% | 0.426 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -107 | -20.6 | -178.3 | -78.2 | -162.3 | 177.6 | -172 | 0 | 114.9 | E421 L425 K614 L615 K616 | E421-K618 VanDerWaalsContact CD-NZ 3.31Å; E421-K618 IonicContact OE1-NZ 3.77Å; E421-K618 PolarHBondContact OE1-NZ 3.43Å; L425-K618 HydrophobicContact CD2-CD 3.91Å; K614-K618 PolarHBondContact O-N 2.71Å; K614-K618 VanDerWaalsContact O-N 3.17Å; L615-K618 PolarHBondContact O-N 2.92Å; K616-K618 VanDerWaalsContact C-N 3.33Å |
| 619 | Q | 42.3 | Very low | 45.9 | Very low | 99 Ų | 99 | 89.9 Ų | 89.9 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -57.4 | 128.4 | 171.3 | -79.2 | 178.1 | -18.5 | 0 | 0 | 107.9 | L615 A621 | L615-Q619 PolarHBondContact O-N 3.43Å; Q619-A621 PolarHBondContact O-N 3.11Å; Q619-A621 VanDerWaalsContact O-N 3.12Å |
| 620 | P | 31.8 | Very low | 43.9 | Very low | 81 Ų | 81 | 97.7 Ų | 97.7 | 53% | 0.526 | 54% | 0.539 | S | S | . | . | trans | -53.2 | 128.5 | 161.2 | 24 | -29.7 | 0 | 0 | 0 | 105 | F622 | P620-F622 VanDerWaalsContact C-N 3.26Å; P620-F622 PolarHBondContact O-N 3.33Å | ||
| 621 | A | 26.6 | Very low | 41.3 | Very low | 75 Ų | 75 | 103 Ų | 103 | 62% | 0.62 | 56% | 0.558 | S | S | * | * | trans | -49.6 | 105.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | Q619 D623 | Q619-A621 PolarHBondContact O-N 3.11Å; Q619-A621 VanDerWaalsContact O-N 3.12Å; A621-D623 PolarHBondContact O-N 3.03Å | ||
| 622 | F | 33.2 | Very low | 39 | Very low | 135 Ų | 135 | 110.8 Ų | 110.8 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | trans | -65.3 | 90.9 | 159.7 | -77.4 | -87.5 | 0 | 0 | 0 | 101.4 | L354 P620 E624 | L354-F622 HydrophobicContact CD2-CD1 4.16Å; L354-F622 HydrophobicContact CD2-CE1 3.89Å; P620-F622 VanDerWaalsContact C-N 3.26Å; P620-F622 PolarHBondContact O-N 3.33Å; F622-E624 PolarHBondContact O-N 2.99Å | ||
| 623 | D | 25.5 | Very low | 36.8 | Very low | 97 Ų | 97 | 115 Ų | 115 | 52% | 0.519 | 61% | 0.611 | S | S | . | * | trans | -56.8 | 81.3 | -171.5 | -88.1 | -22.8 | 0 | 0 | 0 | 109.5 | A621 H625 | A621-D623 PolarHBondContact O-N 3.03Å; D623-H625 VanDerWaalsContact C-N 3.27Å; D623-H625 PolarHBondContact O-N 3.24Å; D623-H625 VanDerWaalsContact O-N 3.11Å | ||
| 624 | E | 26 | Very low | 34.6 | Very low | 175 Ų | 175 | 116.4 Ų | 116.4 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -64.2 | 100.4 | 145.3 | -74.7 | -171.4 | 163.6 | 0 | 0 | 105 | F622 | F622-E624 PolarHBondContact O-N 2.99Š|
| 625 | H | 26.9 | Very low | 32.9 | Very low | 163 Ų | 163 | 122.1 Ų | 122.1 | 76% | 0.755 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 80.3 | 94.5 | 173.4 | -49.9 | -71.2 | 0 | 0 | 0 | 117.3 | D623 | D623-H625 VanDerWaalsContact C-N 3.27Å; D623-H625 PolarHBondContact O-N 3.24Å; D623-H625 VanDerWaalsContact O-N 3.11Å |
| 626 | L | 26.8 | Very low | 31 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 67% | 0.67 | 66% | 0.658 | S | S | * | * | trans | 63.3 | 121 | 157.9 | -79.4 | 100.4 | 0 | 0 | 0 | 118.7 | S628 | L626-S628 VanDerWaalsContact C-N 3.32Å; L626-S628 PolarHBondContact O-N 3.4Å | ||
| 627 | P | 24 | Very low | 29.3 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 66% | 0.662 | 65% | 0.652 | S | S | * | * | trans | -72.4 | 92.5 | 142.3 | 29.5 | -30.5 | 0 | 0 | 0 | 108.6 | G629 | P627-G629 PolarHBondContact O-N 3.24Å; P627-G629 VanDerWaalsContact O-N 3.1Å | ||
| 628 | S | 27.3 | Very low | 28 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 80% | 0.797 | 64% | 0.636 | S | S | * | * | trans | -76.2 | 38.9 | 151.1 | 77.4 | 0 | 0 | 0 | 0 | 110.3 | L626 | L626-S628 VanDerWaalsContact C-N 3.32Å; L626-S628 PolarHBondContact O-N 3.4Å | ||
| 629 | G | 24.9 | Very low | 26.7 | Very low | 55 Ų | 55 | 124.7 Ų | 124.7 | 57% | 0.567 | 65% | 0.653 | S | S | * | * | trans | -112.9 | 94.7 | 180 | 0 | 0 | 0 | 0 | 0 | 108.7 | P627 E631 | P627-G629 PolarHBondContact O-N 3.24Å; P627-G629 VanDerWaalsContact O-N 3.1Å; G629-E631 VanDerWaalsContact C-N 3.35Å; G629-E631 PolarHBondContact O-N 2.85Å | ||
| 630 | K | 24.3 | Very low | 25.8 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 77% | 0.765 | 67% | 0.669 | S | S | * | * | trans | -55.6 | 90.9 | 174.1 | -72.3 | 170.2 | 176.1 | 165.9 | 0 | 110.7 | K632 | K630-K632 HydrophobicContact CB-CG 4.39Å; K630-K632 PolarHBondContact O-N 2.93Å | ||
| 631 | E | 22.8 | Very low | 25.3 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | trans | -73 | 77.8 | 148.7 | -78.5 | -154.8 | 155.1 | 0 | 0 | 107.8 | G629 K633 | G629-E631 VanDerWaalsContact C-N 3.35Å; G629-E631 PolarHBondContact O-N 2.85Å; E631-K633 PolarHBondContact O-N 3.13Å | ||
| 632 | K | 23.8 | Very low | 25.1 | Very low | 164 Ų | 164 | 138 Ų | 138 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | trans | -66.3 | 93.1 | 161.9 | -79.7 | -176.6 | 177 | -176.2 | 0 | 106.7 | K630 H634 | K630-K632 HydrophobicContact CB-CG 4.39Å; K630-K632 PolarHBondContact O-N 2.93Å; K632-H634 VanDerWaalsContact C-N 3.3Å; K632-H634 PolarHBondContact O-N 3.38Å | ||
| 633 | K | 24.2 | Very low | 24.6 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | trans | -57.2 | 100.9 | 159.3 | -76.9 | -177.1 | 178.4 | 176.8 | 0 | 106.7 | E631 Y635 | E631-K633 PolarHBondContact O-N 3.13Å; K633-Y635 PolarHBondContact O-N 3.27Å | ||
| 634 | H | 23.6 | Very low | 24.5 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | trans | -77.8 | 107.7 | -176.9 | -142.2 | -49.8 | 0 | 0 | 0 | 108.1 | K632 Q637 | K632-H634 VanDerWaalsContact C-N 3.3Å; K632-H634 PolarHBondContact O-N 3.38Å; H634-Q637 VanDerWaalsContact CE1-CD 3.48Å; H634-Q637 PolarHBondContact CE1-OE1 3.12Å | ||
| 635 | Y | 26.1 | Very low | 24.3 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 150.8 | 157.2 | -67.2 | -84.6 | 0 | 0 | 0 | 108.2 | K633 Q637 | K633-Y635 PolarHBondContact O-N 3.27Å; Y635-Q637 PolarHBondContact O-N 3.4Å; Y635-Q637 VanDerWaalsContact O-N 3.08Å |
| 636 | P | 24.7 | Very low | 23.9 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.3 | -179.1 | -7.6 | 12.4 | 0 | 0 | 0 | 110.1 | ||
| 637 | Q | 24.5 | Very low | 23.7 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 132 | 169.3 | -81 | -176.7 | -30.5 | 0 | 0 | 108.4 | H634 Y635 V639 | H634-Q637 VanDerWaalsContact CE1-CD 3.48Å; H634-Q637 PolarHBondContact CE1-OE1 3.12Å; Y635-Q637 PolarHBondContact O-N 3.4Å; Y635-Q637 VanDerWaalsContact O-N 3.08Å; Q637-V639 PolarHBondContact O-N 2.94Å |
| 638 | A | 24.9 | Very low | 23.5 | Very low | 43 Ų | 43 | 142.2 Ų | 142.2 | 36% | 0.355 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 118.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 639 | V | 25.5 | Very low | 23.4 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | trans | -87.3 | 113.2 | 170.1 | 179.2 | 0 | 0 | 0 | 0 | 107.6 | Q637 K641 | Q637-V639 PolarHBondContact O-N 2.94Å; V639-K641 PolarHBondContact O-N 2.93Å | ||
| 640 | L | 23.7 | Very low | 23.4 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | trans | -69.6 | 117.7 | 169.1 | -69.8 | 167.1 | 0 | 0 | 0 | 108.2 | E642 | L640-E642 PolarHBondContact O-N 3.46Å; L640-E642 VanDerWaalsContact O-N 3.15Å | ||
| 641 | K | 22.4 | Very low | 23.2 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -66.9 | 108.2 | 173.9 | -78.8 | -178.3 | 174.3 | -179.6 | 0 | 109.6 | V639 | V639-K641 PolarHBondContact O-N 2.93Š| ||
| 642 | E | 22.5 | Very low | 23.2 | Very low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -80.4 | 128.4 | 158.4 | -73.2 | -173.4 | 164 | 0 | 0 | 109.1 | L640 G644 | L640-E642 PolarHBondContact O-N 3.46Å; L640-E642 VanDerWaalsContact O-N 3.15Å; E642-G644 PolarHBondContact O-N 3.2Å | ||
| 643 | N | 21.4 | Very low | 23.1 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -72.2 | 113 | 177.3 | -71.7 | -29.1 | 0 | 0 | 0 | 109.6 | ||||
| 644 | G | 24.4 | Very low | 23.1 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -145.6 | 99.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | E642 | E642-G644 PolarHBondContact O-N 3.2Š| ||
| 645 | V | 21.3 | Very low | 23.1 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -26.4 | 132.5 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 646 | S | 19 | Very low | 22.9 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -56.1 | 139.9 | 168.7 | -46.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 647 | R | 21.4 | Very low | 23 | Very low | 245 Ų | 245 | 143 Ų | 143 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -127.7 | 114.7 | 158.7 | -79.5 | -173.9 | 176.1 | 174.1 | -0.7 | 109.4 | ||||
| 648 | D | 20.7 | Very low | 23 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 136.3 | 170.5 | -61.9 | -51.2 | 0 | 0 | 0 | 110.8 | ||||
| 649 | I | 25.1 | Very low | 23.2 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -143.8 | 135.6 | 156.3 | -58.8 | -174.9 | 0 | 0 | 0 | 108.9 | ||||
| 650 | P | 25.2 | Very low | 23.1 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | trans | -97.4 | 175.1 | -159.7 | 38.7 | -35.9 | 0 | 0 | 0 | 115.9 | ||||
| 651 | S | 20.7 | Very low | 23.4 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -63.9 | 157.3 | 177.6 | -48.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 652 | D | 22.8 | Very low | 23.9 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | 98.3 | 114.5 | 160.7 | -63.2 | -18.6 | 0 | 0 | 0 | 120 | ||||
| 653 | C | 21.9 | Very low | 24.5 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | 65.8 | 126.9 | 133.8 | -77.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 654 | V | 23.4 | Very low | 25.3 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | 91.3 | 145.6 | 145.1 | -176.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 655 | L | 22.6 | Very low | 26.4 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -58.5 | 154.8 | -164.4 | -73.1 | 150.9 | 0 | 0 | 0 | 118.6 | ||||
| 656 | E | 23.8 | Very low | 27.9 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 44.2 | 102.5 | 150.5 | -68 | -174.5 | 167.1 | 0 | 0 | 119.5 | ||||
| 657 | N | 25.9 | Very low | 29.8 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | trans | -109.5 | 110 | 154.9 | -82.8 | -32.2 | 0 | 0 | 0 | 109.9 | ||||
| 658 | I | 25.3 | Very low | 31.5 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -96.1 | 93.1 | 168.1 | -57.6 | 174.2 | 0 | 0 | 0 | 107.5 | ||||
| 659 | S | 27.8 | Very low | 33.7 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | trans | -98.9 | 124.5 | 169.8 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 660 | K | 24.4 | Very low | 35.6 | Very low | 212 Ų | 212 | 123.4 Ų | 123.4 | 92% | 0.922 | 70% | 0.698 | S | S | * | * | trans | -73.9 | 124.2 | 179.5 | -68.9 | 176.3 | 174.8 | 177.7 | 0 | 111.7 | ||||
| 661 | G | 28.8 | Very low | 37.9 | Very low | 53 Ų | 53 | 120.4 Ų | 120.4 | 55% | 0.546 | 68% | 0.675 | S | S | . | * | S | Bend | trans | 157.8 | 104.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q663 | G661-Q663 VanDerWaalsContact O-CB 3.26Å; G661-Q663 WeakPolarHBondContact O-CB 3.26Å; G661-Q663 VanDerWaalsContact O-CG 3.3Å; G661-Q663 WeakPolarHBondContact O-CG 3.23Å; G661-Q663 PolarHBondContact O-N 2.97Å |
| 662 | E | 33.8 | Very low | 40.2 | Very low | 215 Ų | 215 | 126 Ų | 126 | 100% | 1.005 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 22.3 | 20.7 | 168.3 | -70.1 | -174.9 | 162.7 | 0 | 0 | 121.4 | ||
| 663 | Q | 35.5 | Very low | 42.5 | Very low | 168 Ų | 168 | 119.7 Ų | 119.7 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -117.8 | 138.6 | -169 | -70.4 | 176.3 | 1.1 | 0 | 0 | 110.5 | G661 V665 | G661-Q663 VanDerWaalsContact O-CB 3.26Å; G661-Q663 WeakPolarHBondContact O-CB 3.26Å; G661-Q663 VanDerWaalsContact O-CG 3.3Å; G661-Q663 WeakPolarHBondContact O-CG 3.23Å; G661-Q663 PolarHBondContact O-N 2.97Å; Q663-V665 PolarHBondContact O-N 3.19Å; Q663-V665 VanDerWaalsContact O-N 3.07Å |
| 664 | T | 37.8 | Very low | 45 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 56% | 0.564 | 63% | 0.628 | S | S | * | * | trans | -32.7 | 107.9 | 171.1 | -37.9 | 0 | 0 | 0 | 0 | 112 | C666 M780 | T664-C666 PolarHBondContact O-N 3.04Å; T664-M780 HydrophobicContact CG2-CB 3.3Å | ||
| 665 | V | 47.7 | Very low | 47.4 | Very low | 92 Ų | 92 | 113.1 Ų | 113.1 | 56% | 0.558 | 60% | 0.601 | S | S | * | * | trans | -69.1 | 105.1 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | Q663 I667 I779 | Q663-V665 PolarHBondContact O-N 3.19Å; Q663-V665 VanDerWaalsContact O-N 3.07Å; V665-I667 HydrophobicContact CG1-CG1 4.11Å; V665-I667 PolarHBondContact O-N 3.05Å; V665-I779 HydrophobicContact CB-CG2 4.33Å; V665-I779 VanDerWaalsContact O-CG2 3.3Å; V665-I779 WeakPolarHBondContact O-CG2 3.39Å | ||
| 666 | C | 51.8 | Low | 50 | Low | 72 Ų | 72 | 111 Ų | 111 | 49% | 0.486 | 58% | 0.583 | S | S | . | * | trans | -86.6 | 104.1 | 174.5 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | T664 M780 | T664-C666 PolarHBondContact O-N 3.04Å; C666-M780 WeakPolarHBondContact CA-O 3.37Å | ||
| 667 | I | 58.8 | Low | 53 | Low | 73 Ų | 73 | 103.5 Ų | 103.5 | 37% | 0.374 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.6 | 171.4 | -56.6 | 174 | 0 | 0 | 0 | 107.3 | V665 V669 R782 | V665-I667 HydrophobicContact CG1-CG1 4.11Å; V665-I667 PolarHBondContact O-N 3.05Å; I667-V669 HydrophobicContact CG2-CG2 4.14Å; I667-R782 CarbonylContact O-C 3.53Å; I667-R782 PolarHBondContact O-N 2.99Å |
| 668 | T | 58.3 | Low | 55.7 | Low | 85 Ų | 85 | 96.2 Ų | 96.2 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.8 | 174.4 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | V670 R782 | T668-V670 HydrophobicContact CG2-CG2 4.48Å; T668-R782 WeakPolarHBondContact CA-O 3.15Å |
| 669 | V | 67.5 | Low | 58.3 | Low | 46 Ų | 46 | 93.3 Ų | 93.3 | 28% | 0.279 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.6 | 176 | 175.1 | 0 | 0 | 0 | 0 | 108.4 | I667 L671 R782 L783 H784 | I667-V669 HydrophobicContact CG2-CG2 4.14Å; V669-L671 HydrophobicContact CG1-CD1 4.1Å; V669-L671 HydrophobicContact CG1-CD2 4.21Å; V669-L671 HydrophobicContact CG1-CG 3.89Å; V669-R782 PolarHBondContact N-O 2.95Å; V669-L783 HydrophobicContact CB-CD1 3.57Å; V669-L783 HydrophobicContact CG1-CD1 3.77Å; V669-H784 PolarHBondContact O-N 3.24Å |
| 670 | V | 64.6 | Low | 60.9 | Low | 105 Ų | 105 | 93.9 Ų | 93.9 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.5 | 178.1 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | T668 H784 | T668-V670 HydrophobicContact CG2-CG2 4.48Å; V670-H784 WeakPolarHBondContact CA-O 3.49Å; V670-H784 HydrophobicContact CG2-CB 4.25Å |
| 671 | L | 72.5 | Confident | 63.9 | Low | 60 Ų | 60 | 87.1 Ų | 87.1 | 31% | 0.314 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.7 | -178.3 | -64.4 | 169.7 | 0 | 0 | 0 | 111.7 | V669 Y686 L783 H784 L785 Q786 | V669-L671 HydrophobicContact CG1-CD1 4.1Å; V669-L671 HydrophobicContact CG1-CD2 4.21Å; V669-L671 HydrophobicContact CG1-CG 3.89Å; L671-Y686 HydrophobicContact CD1-CD2 3.17Å; L671-Y686 HydrophobicContact CD1-CE2 3.58Å; L671-Y686 HydrophobicContact CD1-CG 4.14Å; L671-L783 HydrophobicContact CD1-CD1 4.41Å; L671-H784 PolarHBondContact N-O 3.33Å; L671-L785 HydrophobicContact CB-CD2 3.96Å; L671-L785 HydrophobicContact CD1-CD2 3.71Å; L671-L785 HydrophobicContact CG-CD2 4.28Å; L671-Q786 PolarHBondContact O-N 3.36Å |
| 672 | R | 69.2 | Low | 66.8 | Low | 226 Ų | 226 | 89.4 Ų | 89.4 | 85% | 0.853 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 149.6 | 168.4 | -69.4 | -172.3 | 178.2 | -175.5 | 0.5 | 109.9 | D674 | R672-D674 PolarHBondContact O-N 2.98Š|
| 673 | V | 72.3 | Confident | 69.3 | Low | 18 Ų | 18 | 80.5 Ų | 80.5 | 11% | 0.109 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 132.7 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | F677 L685 Q786 P788 F790 | V673-F677 HydrophobicContact CG1-CB 4Å; V673-F677 HydrophobicContact CG1-CD2 4.13Å; V673-F677 HydrophobicContact CG1-CG 4.45Å; V673-L685 HydrophobicContact CG2-CD1 4.43Å; V673-Q786 HydrophobicContact CB-CB 4.47Å; V673-Q786 HydrophobicContact CG2-CB 3.46Å; V673-Q786 VanDerWaalsContact CG2-CB 3.46Å; V673-Q786 WeakPolarHBondContact CG2-O 3.44Å; V673-P788 HydrophobicContact CG1-CB 3.9Å; V673-F790 HydrophobicContact CB-CZ 3.98Å; V673-F790 HydrophobicContact CG1-CE2 3.86Å; V673-F790 HydrophobicContact CG1-CZ 3.47Å; V673-F790 VanDerWaalsContact CG1-CZ 3.47Å |
| 674 | D | 73.8 | Confident | 71.9 | Confident | 78 Ų | 78 | 74.7 Ų | 74.7 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 128.1 | 170.1 | -177 | -22.5 | 0 | 0 | 0 | 111.2 | R672 R676 F677 | R672-D674 PolarHBondContact O-N 2.98Å; D674-R676 HydrophobicContact CB-CG 4.04Å; D674-R676 VanDerWaalsContact CG-CG 3.42Å; D674-R676 PolarHBondContact O-N 3Å; D674-R676 WeakPolarHBondContact OD1-CB 3.48Å; D674-R676 WeakPolarHBondContact OD1-CG 3.2Å; D674-R676 PolarHBondContact OD1-N 3.11Å; D674-R676 WeakPolarHBondContact OD2-CD 3.35Å; D674-R676 IonicContact OD2-CZ 2.72Å; D674-R676 IonicContact OD2-NE 3.87Å; D674-R676 PolarHBondContact OD2-NE 2.9Å; D674-R676 IonicContact OD2-NH1 2.76Å; D674-F677 HydrophobicContact CB-CD2 4.3Å; D674-F677 PolarHBondContact O-N 3.3Å |
| 675 | C | 72.6 | Confident | 74.4 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 28% | 0.284 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -55.2 | -21.4 | -179.8 | -60 | 0 | 0 | 0 | 0 | 113.3 | F677 L678 D866 V867 | C675-F677 PolarHBondContact O-N 2.81Å; C675-F677 VanDerWaalsContact O-N 3.09Å; C675-L678 HydrophobicContact CB-CD1 4.18Å; C675-L678 VanDerWaalsContact O-CB 3.25Å; C675-L678 WeakPolarHBondContact O-CB 3.17Å; C675-L678 WeakPolarHBondContact O-CG 3.43Å; C675-L678 PolarHBondContact O-N 3.38Å; C675-D866 HydrophobicContact CB-CB 4.42Å; C675-V867 HydrophobicContact CB-CG2 4.12Å |
| 676 | R | 78.2 | Confident | 76.4 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -54.9 | -29.1 | 172.9 | 77.2 | -175.2 | -177.6 | -174.3 | 3.8 | 113.6 | D674 L678 T679 K680 V684 | D674-R676 HydrophobicContact CB-CG 4.04Å; D674-R676 VanDerWaalsContact CG-CG 3.42Å; D674-R676 PolarHBondContact O-N 3Å; D674-R676 WeakPolarHBondContact OD1-CB 3.48Å; D674-R676 WeakPolarHBondContact OD1-CG 3.2Å; D674-R676 PolarHBondContact OD1-N 3.11Å; D674-R676 WeakPolarHBondContact OD2-CD 3.35Å; D674-R676 IonicContact OD2-CZ 2.72Å; D674-R676 IonicContact OD2-NE 3.87Å; D674-R676 PolarHBondContact OD2-NE 2.9Å; D674-R676 IonicContact OD2-NH1 2.76Å; R676-L678 PolarHBondContact O-N 3.31Å; R676-T679 PolarHBondContact O-N 2.84Å; R676-T679 PolarHBondContact O-OG1 3.18Å; R676-K680 WeakPolarHBondContact O-CB 3.08Å; R676-K680 PolarHBondContact O-N 3.08Å; R676-V684 PolarHBondContact NH2-O 3.37Å |
| 677 | F | 86.5 | Confident | 78.3 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 1% | 0.013 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -75.6 | -5.7 | 179.1 | -78.1 | -74 | 0 | 0 | 0 | 113.4 | V673 D674 C675 T679 K680 V684 L685 V695 P788 F790 K793 | V673-F677 HydrophobicContact CG1-CB 4Å; V673-F677 HydrophobicContact CG1-CD2 4.13Å; V673-F677 HydrophobicContact CG1-CG 4.45Å; D674-F677 HydrophobicContact CB-CD2 4.3Å; D674-F677 PolarHBondContact O-N 3.3Å; C675-F677 PolarHBondContact O-N 2.81Å; C675-F677 VanDerWaalsContact O-N 3.09Å; F677-T679 VanDerWaalsContact C-N 3.34Å; F677-K680 VanDerWaalsContact O-O 3.08Å; F677-V684 WeakPolarHBondContact CZ-O 3.41Å; F677-L685 HydrophobicContact CD2-CD1 4.43Å; F677-L685 HydrophobicContact CE2-CD1 4.05Å; F677-V695 HydrophobicContact CD1-CG2 4.01Å; F677-V695 HydrophobicContact CE1-CG2 3.25Å; F677-V695 HydrophobicContact CZ-CG2 3.64Å; F677-P788 HydrophobicContact CB-CB 3.48Å; F677-P788 VanDerWaalsContact CB-CB 3.48Å; F677-P788 HydrophobicContact CD1-CB 3.89Å; F677-P788 HydrophobicContact CD1-CG 4.15Å; F677-P788 HydrophobicContact CD2-CB 4.27Å; F677-P788 HydrophobicContact CG-CB 3.64Å; F677-P788 HydrophobicContact CG-CG 4.28Å; F677-F790 HydrophobicContact CB-CE2 4.15Å; F677-K793 WeakPolarHBondContact O-CE 3.48Å; F677-K793 PolarHBondContact O-NZ 2.85Å |
| 678 | L | 83.4 | Confident | 79.7 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -62.5 | -45.1 | 169 | -72.8 | 162.9 | 0 | 0 | 0 | 110.5 | C675 R676 F790 K793 L863 V867 | C675-L678 HydrophobicContact CB-CD1 4.18Å; C675-L678 VanDerWaalsContact O-CB 3.25Å; C675-L678 WeakPolarHBondContact O-CB 3.17Å; C675-L678 WeakPolarHBondContact O-CG 3.43Å; C675-L678 PolarHBondContact O-N 3.38Å; R676-L678 PolarHBondContact O-N 3.31Å; L678-F790 HydrophobicContact CD2-CB 3.98Å; L678-F790 HydrophobicContact CD2-CD1 3.77Å; L678-F790 HydrophobicContact CD2-CD2 3.75Å; L678-F790 HydrophobicContact CD2-CE1 4.11Å; L678-F790 HydrophobicContact CD2-CE2 4.08Å; L678-F790 HydrophobicContact CD2-CG 3.57Å; L678-F790 HydrophobicContact CD2-CZ 4.23Å; L678-F790 HydrophobicContact CG-CD2 4.32Å; L678-F790 HydrophobicContact CG-CE2 4.22Å; L678-F790 HydrophobicContact CG-CZ 4.35Å; L678-K793 VanDerWaalsContact O-CE 3.28Å; L678-K793 WeakPolarHBondContact O-CE 3.17Å; L678-K793 PolarHBondContact O-NZ 2.89Å; L678-L863 HydrophobicContact CD1-CB 4.14Å; L678-L863 WeakPolarHBondContact CD1-O 3.43Å; L678-L863 HydrophobicContact CD2-CB 4.14Å; L678-L863 HydrophobicContact CD2-CD1 3.99Å; L678-L863 HydrophobicContact CD2-CD2 4.23Å; L678-L863 HydrophobicContact CD2-CG 4.37Å; L678-V867 HydrophobicContact CB-CG2 4.29Å; L678-V867 HydrophobicContact CD1-CG2 3.44Å; L678-V867 VanDerWaalsContact CD1-CG2 3.44Å; L678-V867 HydrophobicContact CG-CG2 4.47Å |
| 679 | T | 79.2 | Confident | 81 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 58% | 0.577 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -34.1 | -178.3 | 57.2 | 0 | 0 | 0 | 0 | 113 | R676 F677 V867 | R676-T679 PolarHBondContact O-N 2.84Å; R676-T679 PolarHBondContact O-OG1 3.18Å; F677-T679 VanDerWaalsContact C-N 3.34Å; T679-V867 HydrophobicContact CG2-CG1 4.47Å |
| 680 | K | 83.3 | Confident | 82.1 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 52% | 0.522 | 35% | 0.351 | S | S | . | . | trans | -82.2 | 142 | 178.2 | -64.1 | -171.3 | 178.7 | -174.9 | 0 | 112.2 | R676 F677 K793 | R676-K680 WeakPolarHBondContact O-CB 3.08Å; R676-K680 PolarHBondContact O-N 3.08Å; F677-K680 VanDerWaalsContact O-O 3.08Å; K680-K793 PolarHBondContact O-NZ 3.38Å | ||
| 681 | Q | 86 | Confident | 83.5 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -93.1 | -16.8 | 176.1 | -64.6 | -64.8 | 13.5 | 0 | 0 | 112.9 | K696 M697 | Q681-K696 CarbonylContact O-C 3.59Å; Q681-K696 WeakPolarHBondContact O-CA 3.44Å; Q681-M697 WeakPolarHBondContact CB-O 3.4Å; Q681-M697 PolarHBondContact O-N 2.81Å; Q681-M697 VanDerWaalsContact OE1-CE 3.29Å |
| 682 | N | 89.5 | Confident | 84.5 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 149.8 | -173.5 | 56.6 | -59.4 | 0 | 0 | 0 | 111.2 | V695 K696 | N682-V695 CarbonylContact C-O 3.45Å; N682-V695 WeakPolarHBondContact CA-O 3.25Å; N682-K696 HydrophobicContact CB-CB 4.3Å; N682-K696 HydrophobicContact CB-CG 4.25Å |
| 683 | G | 87.4 | Confident | 85.7 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | V695 | G683-V695 PolarHBondContact N-O 3.09Å; G683-V695 PolarHBondContact O-N 3.09Å |
| 684 | V | 90.3 | Very high | 86.8 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 121.9 | 172.4 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | R676 F677 Y686 E687 Q692 V693 | R676-V684 PolarHBondContact NH2-O 3.37Å; F677-V684 WeakPolarHBondContact CZ-O 3.41Å; V684-Y686 WeakPolarHBondContact CG1-O 3.5Å; V684-E687 HydrophobicContact CG1-CB 3.75Å; V684-Q692 HydrophobicContact CG1-CG 3.99Å; V684-Q692 HydrophobicContact CG2-CG 4.39Å; V684-V693 CarbonylContact C-O 3.25Å |
| 685 | L | 89.1 | Confident | 87.7 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -37.1 | 175.5 | -175.8 | 63 | 0 | 0 | 0 | 111.5 | V673 F677 V693 V695 L785 L787 | V673-L685 HydrophobicContact CG2-CD1 4.43Å; F677-L685 HydrophobicContact CD2-CD1 4.43Å; F677-L685 HydrophobicContact CE2-CD1 4.05Å; L685-V693 WeakPolarHBondContact CA-O 3.47Å; L685-V693 HydrophobicContact CB-CG1 4.38Å; L685-V693 WeakPolarHBondContact CB-O 3.33Å; L685-V693 HydrophobicContact CD2-CG1 4.44Å; L685-V693 PolarHBondContact N-O 3.31Å; L685-V695 HydrophobicContact CB-CG1 4.13Å; L685-V695 HydrophobicContact CB-CG2 4.39Å; L685-V695 HydrophobicContact CD2-CG1 4.03Å; L685-L785 HydrophobicContact CD2-CB 4.11Å; L685-L785 HydrophobicContact CD2-CD1 4.04Å; L685-L785 HydrophobicContact CG-CD1 4.44Å; L685-L787 HydrophobicContact CD2-CD2 4.45Å |
| 686 | Y | 90.4 | Very high | 88.7 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 17% | 0.169 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 144.4 | 177.7 | 174.5 | -103 | 0 | 0 | 0 | 109.9 | L671 V684 D688 L691 Q692 V693 L783 L785 | L671-Y686 HydrophobicContact CD1-CD2 3.17Å; L671-Y686 HydrophobicContact CD1-CE2 3.58Å; L671-Y686 HydrophobicContact CD1-CG 4.14Å; V684-Y686 WeakPolarHBondContact CG1-O 3.5Å; Y686-D688 HydrophobicContact CE1-CB 4.14Å; Y686-D688 WeakPolarHBondContact CE1-OD2 3.42Å; Y686-D688 PolarHBondContact OH-OD2 3.18Å; Y686-L691 HydrophobicContact CD1-CD2 4.47Å; Y686-Q692 CarbonylContact O-C 3.59Å; Y686-Q692 WeakPolarHBondContact O-CA 3.27Å; Y686-V693 HydrophobicContact CD1-CG2 4.33Å; Y686-V693 PolarHBondContact N-O 2.94Å; Y686-V693 PolarHBondContact O-N 3.29Å; Y686-L783 HydrophobicContact CD1-CD2 3.47Å; Y686-L783 VanDerWaalsContact CD1-CD2 3.47Å; Y686-L783 HydrophobicContact CE1-CD1 4.49Å; Y686-L783 HydrophobicContact CE1-CD2 3.68Å; Y686-L783 HydrophobicContact CE2-CD1 4.34Å; Y686-L783 HydrophobicContact CG-CD2 3.93Å; Y686-L785 HydrophobicContact CG-CD2 4.39Å |
| 687 | E | 90.8 | Very high | 89.4 | Confident | 90 Ų | 90 | 45.8 Ų | 45.8 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 131.2 | 172.2 | -178.2 | 167 | 179.6 | 0 | 0 | 110.9 | V684 L691 Q692 K713 | V684-E687 HydrophobicContact CG1-CB 3.75Å; E687-L691 WeakPolarHBondContact CA-O 3.47Å; E687-Q692 HydrophobicContact CB-CG 4.2Å; E687-Q692 VanDerWaalsContact CD-NE2 3.29Å; E687-Q692 HydrophobicContact CG-CB 4.27Å; E687-Q692 HydrophobicContact CG-CG 4.16Å; E687-Q692 PolarHBondContact OE1-NE2 2.84Å; E687-Q692 PolarHBondContact OE2-NE2 3.42Å; E687-K713 HydrophobicContact CG-CD 4.41Å; E687-K713 IonicContact OE1-NZ 3.18Å; E687-K713 PolarHBondContact OE1-NZ 3.37Å |
| 688 | D | 89.3 | Confident | 89.6 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | trans | -130.2 | -162.6 | 166.4 | 67.1 | 25.7 | 0 | 0 | 0 | 110.6 | Y686 I690 L691 K713 | Y686-D688 HydrophobicContact CE1-CB 4.14Å; Y686-D688 WeakPolarHBondContact CE1-OD2 3.42Å; Y686-D688 PolarHBondContact OH-OD2 3.18Å; D688-I690 VanDerWaalsContact C-N 3.25Å; D688-I690 PolarHBondContact O-N 3.14Å; D688-I690 WeakPolarHBondContact OD1-CA 3.41Å; D688-I690 PolarHBondContact OD1-N 3.11Å; D688-L691 PolarHBondContact N-O 3.45Å; D688-L691 PolarHBondContact OD1-N 3.45Å; D688-K713 PolarHBondContact O-NZ 2.71Å | ||
| 689 | S | 86.3 | Confident | 89.9 | Confident | 98 Ų | 98 | 52.4 Ų | 52.4 | 69% | 0.685 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -72.8 | -13.4 | 178 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 690 | I | 89.7 | Confident | 90.4 | Very high | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -116.9 | -46.3 | -171.8 | -68.6 | 168.1 | 0 | 0 | 0 | 111.7 | D688 K713 S714 F718 F774 | D688-I690 VanDerWaalsContact C-N 3.25Å; D688-I690 PolarHBondContact O-N 3.14Å; D688-I690 WeakPolarHBondContact OD1-CA 3.41Å; D688-I690 PolarHBondContact OD1-N 3.11Å; I690-K713 WeakPolarHBondContact O-CA 3.49Å; I690-K713 PolarHBondContact O-N 2.85Å; I690-S714 PolarHBondContact O-N 2.87Å; I690-F718 HydrophobicContact CG2-CE1 3.58Å; I690-F718 HydrophobicContact CG2-CZ 3.69Å; I690-F718 WeakPolarHBondContact O-CZ 3.42Å; I690-F774 HydrophobicContact CG2-CE2 4.17Å |
| 691 | L | 93.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.8 | -174.2 | 174.2 | 69 | 0 | 0 | 0 | 110.6 | Y686 E687 D688 V693 G711 F718 L772 F774 L783 | Y686-L691 HydrophobicContact CD1-CD2 4.47Å; E687-L691 WeakPolarHBondContact CA-O 3.47Å; D688-L691 PolarHBondContact N-O 3.45Å; D688-L691 PolarHBondContact OD1-N 3.45Å; L691-V693 HydrophobicContact CD1-CG2 4.26Å; L691-V693 HydrophobicContact CD2-CG2 3.78Å; L691-V693 HydrophobicContact CG-CG2 3.91Å; L691-G711 WeakPolarHBondContact CA-O 3.45Å; L691-F718 HydrophobicContact CB-CE2 4.48Å; L691-F718 HydrophobicContact CB-CZ 4.31Å; L691-F718 HydrophobicContact CD1-CE2 3.81Å; L691-F718 HydrophobicContact CD1-CZ 4.46Å; L691-L772 HydrophobicContact CD2-CD1 4.43Å; L691-F774 HydrophobicContact CB-CZ 4.25Å; L691-F774 HydrophobicContact CD2-CE1 3.79Å; L691-F774 HydrophobicContact CD2-CZ 4.09Å; L691-L783 HydrophobicContact CD2-CD2 3.91Å |
| 692 | Q | 94.1 | Very high | 91.3 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 22% | 0.22 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.3 | 162.4 | -174 | -174.2 | 70.6 | 0 | 0 | 109.1 | V684 Y686 E687 G711 K713 | V684-Q692 HydrophobicContact CG1-CG 3.99Å; V684-Q692 HydrophobicContact CG2-CG 4.39Å; Y686-Q692 CarbonylContact O-C 3.59Å; Y686-Q692 WeakPolarHBondContact O-CA 3.27Å; E687-Q692 HydrophobicContact CB-CG 4.2Å; E687-Q692 VanDerWaalsContact CD-NE2 3.29Å; E687-Q692 HydrophobicContact CG-CB 4.27Å; E687-Q692 HydrophobicContact CG-CG 4.16Å; E687-Q692 PolarHBondContact OE1-NE2 2.84Å; E687-Q692 PolarHBondContact OE2-NE2 3.42Å; Q692-G711 PolarHBondContact N-O 3.49Å; Q692-G711 PolarHBondContact O-N 3.09Å; Q692-K713 HydrophobicContact CB-CD 4.04Å |
| 693 | V | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 108 | 171.7 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | V684 L685 Y686 L691 V708 F709 Y710 L772 L783 L785 | V684-V693 CarbonylContact C-O 3.25Å; L685-V693 WeakPolarHBondContact CA-O 3.47Å; L685-V693 HydrophobicContact CB-CG1 4.38Å; L685-V693 WeakPolarHBondContact CB-O 3.33Å; L685-V693 HydrophobicContact CD2-CG1 4.44Å; L685-V693 PolarHBondContact N-O 3.31Å; Y686-V693 HydrophobicContact CD1-CG2 4.33Å; Y686-V693 PolarHBondContact N-O 2.94Å; Y686-V693 PolarHBondContact O-N 3.29Å; L691-V693 HydrophobicContact CD1-CG2 4.26Å; L691-V693 HydrophobicContact CD2-CG2 3.78Å; L691-V693 HydrophobicContact CG-CG2 3.91Å; V693-V708 HydrophobicContact CG1-CG1 3.68Å; V693-F709 CarbonylContact C-O 3.6Å; V693-F709 VanDerWaalsContact CA-O 3.26Å; V693-F709 WeakPolarHBondContact CA-O 3.46Å; V693-Y710 HydrophobicContact CG1-CD1 4.22Å; V693-Y710 HydrophobicContact CG1-CE1 4.13Å; V693-Y710 HydrophobicContact CG2-CD1 4.21Å; V693-L772 HydrophobicContact CG2-CD1 3.94Å; V693-L783 HydrophobicContact CG2-CD2 4.47Å; V693-L785 HydrophobicContact CB-CD1 4.01Å; V693-L785 HydrophobicContact CG1-CD1 3.91Å; V693-L785 HydrophobicContact CG2-CD1 3.86Å |
| 694 | G | 94 | Very high | 91.9 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 9% | 0.093 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 154.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V708 F709 | G694-V708 CarbonylContact O-C 3.57Å; G694-V708 WeakPolarHBondContact O-CA 3.18Å; G694-F709 PolarHBondContact N-O 2.8Å; G694-F709 PolarHBondContact O-N 3.44Å |
| 695 | V | 94.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 143.3 | 171.5 | -67.2 | 0 | 0 | 0 | 0 | 110.7 | F677 N682 G683 L685 L706 A707 V708 P788 | F677-V695 HydrophobicContact CD1-CG2 4.01Å; F677-V695 HydrophobicContact CE1-CG2 3.25Å; F677-V695 HydrophobicContact CZ-CG2 3.64Å; N682-V695 CarbonylContact C-O 3.45Å; N682-V695 WeakPolarHBondContact CA-O 3.25Å; G683-V695 PolarHBondContact N-O 3.09Å; G683-V695 PolarHBondContact O-N 3.09Å; L685-V695 HydrophobicContact CB-CG1 4.13Å; L685-V695 HydrophobicContact CB-CG2 4.39Å; L685-V695 HydrophobicContact CD2-CG1 4.03Å; V695-L706 HydrophobicContact CB-CD1 4.19Å; V695-A707 CarbonylContact C-O 3.51Å; V695-A707 VanDerWaalsContact CA-O 3.31Å; V695-A707 WeakPolarHBondContact CA-O 3.47Å; V695-V708 HydrophobicContact CG1-CG1 4.33Å; V695-V708 HydrophobicContact CG1-CG2 4.36Å; V695-P788 HydrophobicContact CB-CG 4.16Å; V695-P788 HydrophobicContact CG1-CG 4.21Å; V695-P788 HydrophobicContact CG2-CG 3.62Å |
| 696 | K | 93.2 | Very high | 92.3 | Very high | 96 Ų | 96 | 55.9 Ų | 55.9 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.5 | 166.6 | -179.1 | 177.7 | 178.5 | -179.8 | 0 | 108.3 | Q681 N682 E698 A707 F709 | Q681-K696 CarbonylContact O-C 3.59Å; Q681-K696 WeakPolarHBondContact O-CA 3.44Å; N682-K696 HydrophobicContact CB-CB 4.3Å; N682-K696 HydrophobicContact CB-CG 4.25Å; K696-E698 IonicContact NZ-OE1 2.65Å; K696-A707 HydrophobicContact CB-CB 4.37Å; K696-A707 PolarHBondContact N-O 3.04Å; K696-A707 PolarHBondContact O-N 3.32Å; K696-F709 HydrophobicContact CB-CE2 3.93Å |
| 697 | M | 91.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.3 | -179.4 | -172.2 | 164.1 | 51.2 | 0 | 0 | 111.1 | Q681 R705 L706 P788 L789 K793 | Q681-M697 WeakPolarHBondContact CB-O 3.4Å; Q681-M697 PolarHBondContact O-N 2.81Å; Q681-M697 VanDerWaalsContact OE1-CE 3.29Å; M697-R705 WeakPolarHBondContact CA-O 3.32Å; M697-L706 HydrophobicContact CB-CD1 3.79Å; M697-L706 HydrophobicContact CG-CD1 4.23Å; M697-L706 HydrophobicContact SD-CD1 4.31Å; M697-P788 WeakPolarHBondContact CE-O 3.04Å; M697-L789 HydrophobicContact SD-CD1 3.84Å; M697-K793 HydrophobicContact CE-CB 3.96Å; M697-K793 HydrophobicContact CE-CD 3.32Å; M697-K793 HydrophobicContact CE-CG 3.39Å; M697-K793 HydrophobicContact SD-CB 4.37Å; M697-K793 HydrophobicContact SD-CG 4.28Å |
| 698 | E | 91.3 | Very high | 92.8 | Very high | 110 Ų | 110 | 50 Ų | 50 | 51% | 0.514 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.8 | 168.7 | -69.9 | 171.2 | -171.4 | 0 | 0 | 107.7 | K696 A704 R705 | K696-E698 IonicContact NZ-OE1 2.65Å; E698-A704 CarbonylContact O-C 3.57Å; E698-A704 VanDerWaalsContact O-CA 3.23Å; E698-A704 WeakPolarHBondContact O-CA 3.36Å; E698-R705 PolarHBondContact N-O 3.41Å; E698-R705 PolarHBondContact O-N 3.14Å |
| 699 | S | 90.2 | Very high | 93.2 | Very high | 44 Ų | 44 | 50.3 Ų | 50.3 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.2 | 177.2 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | L703 K793 | S699-L703 CarbonylContact C-O 3.56Å; S699-L703 VanDerWaalsContact CA-O 3.31Å; S699-L703 WeakPolarHBondContact CA-O 3.37Å; S699-K793 WeakPolarHBondContact CB-O 3.35Å; S699-K793 PolarHBondContact OG-O 3.27Å |
| 700 | R | 90.1 | Very high | 93.7 | Very high | 190 Ų | 190 | 45.6 Ų | 45.6 | 72% | 0.717 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 119.2 | 175.5 | -173.3 | 179.4 | -175.2 | -173.8 | 2.9 | 108.1 | N702 L703 | R700-N702 PolarHBondContact O-N 3.48Å; R700-L703 PolarHBondContact N-O 3.07Å; R700-L703 PolarHBondContact O-N 3.19Å |
| 701 | K | 91.6 | Very high | 93.9 | Very high | 108 Ų | 108 | 44.9 Ų | 44.9 | 47% | 0.47 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | -123.5 | -172.1 | -58.1 | -177.5 | 176.6 | -175.9 | 0 | 110.8 | L703 F794 E796 H824 | K701-L703 VanDerWaalsContact C-N 3.33Å; K701-F794 WeakPolarHBondContact O-CD1 3.48Å; K701-E796 VanDerWaalsContact CG-OE1 3.26Å; K701-E796 WeakPolarHBondContact CG-OE1 3.49Å; K701-E796 PolarHBondContact N-OE1 2.86Å; K701-H824 HydrophobicContact CB-CB 3.95Å |
| 702 | N | 94.7 | Very high | 94.1 | Very high | 32 Ų | 32 | 44.9 Ų | 44.9 | 17% | 0.171 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 8 | -178.9 | 71 | -59.3 | 0 | 0 | 0 | 113.6 | R700 C760 H824 | R700-N702 PolarHBondContact O-N 3.48Å; N702-C760 HydrophobicContact CB-CB 4.4Å; N702-C760 WeakPolarHBondContact O-CB 3.46Å; N702-C760 PolarHBondContact O-N 3.24Å; N702-H824 VanDerWaalsContact CA-O 3.3Å; N702-H824 WeakPolarHBondContact CA-O 3.43Å; N702-H824 HydrophobicContact CB-CB 4.22Å; N702-H824 VanDerWaalsContact CB-O 3.31Å; N702-H824 WeakPolarHBondContact CB-O 3.16Å |
| 703 | L | 95.4 | Very high | 94 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.7 | 179.9 | -58.3 | 178 | 0 | 0 | 0 | 109.9 | S699 R700 K701 V758 E759 | S699-L703 CarbonylContact C-O 3.56Å; S699-L703 VanDerWaalsContact CA-O 3.31Å; S699-L703 WeakPolarHBondContact CA-O 3.37Å; R700-L703 PolarHBondContact N-O 3.07Å; R700-L703 PolarHBondContact O-N 3.19Å; K701-L703 VanDerWaalsContact C-N 3.33Å; L703-V758 CarbonylContact C-O 3.49Å; L703-V758 WeakPolarHBondContact CA-O 3.26Å; L703-E759 HydrophobicContact CD2-CB 3.86Å; L703-E759 HydrophobicContact CD2-CG 3.93Å |
| 704 | A | 94.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 48 Ų | 48 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 151.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E698 V758 L789 F794 | E698-A704 CarbonylContact O-C 3.57Å; E698-A704 VanDerWaalsContact O-CA 3.23Å; E698-A704 WeakPolarHBondContact O-CA 3.36Å; A704-V758 HydrophobicContact CB-CB 4.22Å; A704-V758 PolarHBondContact N-O 3.05Å; A704-V758 PolarHBondContact O-N 3.13Å; A704-L789 HydrophobicContact CB-CD1 4.33Å; A704-F794 HydrophobicContact CB-CE1 3.65Å; A704-F794 HydrophobicContact CB-CZ 3.81Å |
| 705 | R | 94.5 | Very high | 93.4 | Very high | 130 Ų | 130 | 53.2 Ų | 53.2 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.1 | 171.9 | 178.5 | 177.9 | -70.5 | 165.4 | 1.2 | 107.6 | M697 E698 L755 I756 N757 | M697-R705 WeakPolarHBondContact CA-O 3.32Å; E698-R705 PolarHBondContact N-O 3.41Å; E698-R705 PolarHBondContact O-N 3.14Å; R705-L755 HydrophobicContact CG-CD2 4.38Å; R705-I756 WeakPolarHBondContact CA-O 3.46Å; R705-N757 PolarHBondContact NE-OD1 3.04Å |
| 706 | L | 94.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.7 | 175 | -173.3 | 69.5 | 0 | 0 | 0 | 108.8 | V695 M697 V708 I756 L787 P788 | V695-L706 HydrophobicContact CB-CD1 4.19Å; M697-L706 HydrophobicContact CB-CD1 3.79Å; M697-L706 HydrophobicContact CG-CD1 4.23Å; M697-L706 HydrophobicContact SD-CD1 4.31Å; L706-V708 HydrophobicContact CD2-CG2 4.18Å; L706-V708 HydrophobicContact CG-CG2 4.15Å; L706-I756 HydrophobicContact CB-CB 4.28Å; L706-I756 HydrophobicContact CD2-CD1 4.45Å; L706-I756 PolarHBondContact N-O 2.73Å; L706-I756 PolarHBondContact O-N 2.99Å; L706-L787 HydrophobicContact CD2-CB 4.1Å; L706-L787 HydrophobicContact CD2-CD1 3.96Å; L706-L787 HydrophobicContact CD2-CD2 3.95Å; L706-L787 HydrophobicContact CD2-CG 4.24Å; L706-P788 HydrophobicContact CD1-CG 4.47Å |
| 707 | A | 95.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 117 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | V695 K696 F709 Q753 Q754 L755 | V695-A707 CarbonylContact C-O 3.51Å; V695-A707 VanDerWaalsContact CA-O 3.31Å; V695-A707 WeakPolarHBondContact CA-O 3.47Å; K696-A707 HydrophobicContact CB-CB 4.37Å; K696-A707 PolarHBondContact N-O 3.04Å; K696-A707 PolarHBondContact O-N 3.32Å; A707-F709 HydrophobicContact CB-CE2 3.7Å; A707-F709 HydrophobicContact CB-CZ 3.92Å; A707-Q753 HydrophobicContact CB-CG 4.31Å; A707-Q754 WeakPolarHBondContact CA-O 3.4Å; A707-L755 HydrophobicContact CB-CD2 3.81Å |
| 708 | V | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 129.8 | 173.6 | -169.1 | 0 | 0 | 0 | 0 | 108.1 | V693 G694 V695 L706 Y710 Q753 Q754 I756 L770 L787 | V693-V708 HydrophobicContact CG1-CG1 3.68Å; G694-V708 CarbonylContact O-C 3.57Å; G694-V708 WeakPolarHBondContact O-CA 3.18Å; V695-V708 HydrophobicContact CG1-CG1 4.33Å; V695-V708 HydrophobicContact CG1-CG2 4.36Å; L706-V708 HydrophobicContact CD2-CG2 4.18Å; L706-V708 HydrophobicContact CG-CG2 4.15Å; V708-Y710 HydrophobicContact CB-CE1 4.42Å; V708-Y710 HydrophobicContact CG1-CD1 4.25Å; V708-Y710 HydrophobicContact CG1-CE1 3.45Å; V708-Y710 VanDerWaalsContact CG1-CE1 3.45Å; V708-Y710 HydrophobicContact CG1-CE2 4.36Å; V708-Y710 WeakPolarHBondContact CG1-OH 3.45Å; V708-Q753 CarbonylContact O-C 3.56Å; V708-Q753 WeakPolarHBondContact O-CA 3.25Å; V708-Q754 PolarHBondContact N-O 3.42Å; V708-Q754 PolarHBondContact O-N 3.04Å; V708-I756 HydrophobicContact CG2-CD1 3.86Å; V708-L770 HydrophobicContact CG1-CD2 4.12Å; V708-L787 HydrophobicContact CG2-CD2 4.29Å |
| 709 | F | 96.5 | Very high | 93.5 | Very high | 47 Ų | 47 | 48 Ų | 48 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.9 | -178 | -61.4 | -92.4 | 0 | 0 | 0 | 109.1 | V693 G694 K696 A707 Q751 V752 Q753 | V693-F709 CarbonylContact C-O 3.6Å; V693-F709 VanDerWaalsContact CA-O 3.26Å; V693-F709 WeakPolarHBondContact CA-O 3.46Å; G694-F709 PolarHBondContact N-O 2.8Å; G694-F709 PolarHBondContact O-N 3.44Å; K696-F709 HydrophobicContact CB-CE2 3.93Å; A707-F709 HydrophobicContact CB-CE2 3.7Å; A707-F709 HydrophobicContact CB-CZ 3.92Å; F709-Q751 HydrophobicContact CB-CG 4.16Å; F709-V752 CarbonylContact C-O 3.46Å; F709-V752 WeakPolarHBondContact CA-O 3.46Å; F709-Q753 HydrophobicContact CD1-CB 4.01Å; F709-Q753 HydrophobicContact CD1-CG 4.05Å; F709-Q753 HydrophobicContact CE1-CB 3.95Å; F709-Q753 HydrophobicContact CE1-CG 3.67Å; F709-Q753 HydrophobicContact CZ-CG 4.08Å |
| 710 | Y | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 105.3 | 177.8 | -50.6 | -68 | 0 | 0 | 0 | 108.9 | V693 V708 F721 S723 V742 I746 Q751 V752 Q754 L770 L772 | V693-Y710 HydrophobicContact CG1-CD1 4.22Å; V693-Y710 HydrophobicContact CG1-CE1 4.13Å; V693-Y710 HydrophobicContact CG2-CD1 4.21Å; V708-Y710 HydrophobicContact CB-CE1 4.42Å; V708-Y710 HydrophobicContact CG1-CD1 4.25Å; V708-Y710 HydrophobicContact CG1-CE1 3.45Å; V708-Y710 VanDerWaalsContact CG1-CE1 3.45Å; V708-Y710 HydrophobicContact CG1-CE2 4.36Å; V708-Y710 WeakPolarHBondContact CG1-OH 3.45Å; Y710-F721 AromaticContact CD1-CZ 3.83Å; Y710-F721 HydrophobicContact CD1-CZ 3.83Å; Y710-F721 AromaticContact CD2-CE1 3.8Å; Y710-F721 HydrophobicContact CD2-CE1 3.8Å; Y710-F721 AromaticContact CD2-CZ 3.63Å; Y710-F721 HydrophobicContact CD2-CZ 3.63Å; Y710-F721 HydrophobicContact CE1-CZ 4.27Å; Y710-F721 HydrophobicContact CE2-CE1 4.04Å; Y710-F721 HydrophobicContact CE2-CZ 4.06Å; Y710-F721 HydrophobicContact CG-CE1 4.15Å; Y710-F721 HydrophobicContact CG-CE2 4.37Å; Y710-F721 AromaticContact CG-CZ 3.5Å; Y710-F721 HydrophobicContact CG-CZ 3.5Å; Y710-F721 VanDerWaalsContact CG-CZ 3.5Å; Y710-S723 PolarHBondContact OH-OG 2.96Å; Y710-V742 HydrophobicContact CD2-CG2 4.41Å; Y710-V742 HydrophobicContact CE2-CG2 4.48Å; Y710-I746 HydrophobicContact CG-CD1 4.47Å; Y710-Q751 CarbonylContact O-C 3.59Å; Y710-Q751 VanDerWaalsContact O-CA 3.28Å; Y710-Q751 WeakPolarHBondContact O-CA 3.39Å; Y710-V752 PolarHBondContact N-O 3.36Å; Y710-V752 PolarHBondContact O-N 3.39Å; Y710-Q754 HydrophobicContact CE2-CB 3.67Å; Y710-Q754 PolarHBondContact OH-OE1 3.27Å; Y710-L770 HydrophobicContact CE1-CD2 4.05Å; Y710-L770 WeakPolarHBondContact OH-CD2 3.22Å; Y710-L772 HydrophobicContact CD1-CD1 4.01Å; Y710-L772 HydrophobicContact CD1-CD2 4.35Å; Y710-L772 HydrophobicContact CE1-CD1 3.65Å; Y710-L772 HydrophobicContact CE1-CD2 3.56Å; Y710-L772 HydrophobicContact CE1-CG 4.25Å |
| 711 | G | 94.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 119.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L691 Q692 K713 | L691-G711 WeakPolarHBondContact CA-O 3.45Å; Q692-G711 PolarHBondContact N-O 3.49Å; Q692-G711 PolarHBondContact O-N 3.09Å; G711-K713 PolarHBondContact O-N 3.32Å |
| 712 | N | 96.6 | Very high | 94 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 105 | 172.1 | -179.2 | -2.7 | 0 | 0 | 0 | 109.6 | S714 S716 F718 I746 D747 G749 A750 | N712-S714 VanDerWaalsContact C-N 3.34Å; N712-S714 WeakPolarHBondContact OD1-CB 3.32Å; N712-S714 PolarHBondContact OD1-N 3.43Å; N712-S714 PolarHBondContact OD1-OG 3.25Å; N712-S716 PolarHBondContact ND2-O 3.33Å; N712-F718 HydrophobicContact CB-CD2 3.96Å; N712-F718 HydrophobicContact CB-CE1 4.21Å; N712-F718 HydrophobicContact CB-CE2 3.54Å; N712-F718 HydrophobicContact CB-CG 4.45Å; N712-F718 HydrophobicContact CB-CZ 3.7Å; N712-F718 VanDerWaalsContact CG-CE1 3.4Å; N712-F718 PolarHBondContact ND2-N 3.47Å; N712-F718 WeakPolarHBondContact OD1-CE1 3.41Å; N712-F718 VanDerWaalsContact OD1-CZ 3.24Å; N712-F718 WeakPolarHBondContact OD1-CZ 3.41Å; N712-I746 HydrophobicContact CB-CG2 3.78Å; N712-I746 PolarHBondContact ND2-O 3.42Å; N712-I746 VanDerWaalsContact ND2-O 3.09Å; N712-D747 WeakPolarHBondContact CB-O 3.41Å; N712-D747 PolarHBondContact ND2-O 2.88Å; N712-G749 WeakPolarHBondContact O-CA 3.28Å; N712-G749 PolarHBondContact O-N 2.58Å; N712-A750 PolarHBondContact N-O 3.19Å |
| 713 | K | 91.9 | Very high | 94 | Very high | 98 Ų | 98 | 38.1 Ų | 38.1 | 43% | 0.426 | 21% | 0.212 | S | C | . | . | trans | -86.7 | -4.3 | 177.1 | -63.8 | 178 | 62.4 | -174 | 0 | 113.2 | E687 D688 I690 Q692 G711 | E687-K713 HydrophobicContact CG-CD 4.41Å; E687-K713 IonicContact OE1-NZ 3.18Å; E687-K713 PolarHBondContact OE1-NZ 3.37Å; D688-K713 PolarHBondContact O-NZ 2.71Å; I690-K713 WeakPolarHBondContact O-CA 3.49Å; I690-K713 PolarHBondContact O-N 2.85Å; Q692-K713 HydrophobicContact CB-CD 4.04Å; G711-K713 PolarHBondContact O-N 3.32Å | ||
| 714 | S | 88.6 | Confident | 93.8 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -84.1 | 163.5 | 179.8 | 82.4 | 0 | 0 | 0 | 0 | 112.4 | I690 N712 S716 A748 | I690-S714 PolarHBondContact O-N 2.87Å; N712-S714 VanDerWaalsContact C-N 3.34Å; N712-S714 WeakPolarHBondContact OD1-CB 3.32Å; N712-S714 PolarHBondContact OD1-N 3.43Å; N712-S714 PolarHBondContact OD1-OG 3.25Å; S714-S716 PolarHBondContact O-N 3.43Å; S714-S716 PolarHBondContact OG-N 3.47Å; S714-S716 PolarHBondContact OG-O 2.93Å; S714-S716 PolarHBondContact OG-OG 3.01Å; S714-A748 WeakPolarHBondContact O-CB 3.48Å |
| 715 | S | 88.6 | Confident | 93.7 | Very high | 117 Ų | 117 | 42.5 Ų | 42.5 | 82% | 0.818 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -77.9 | 1.3 | 174.5 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 716 | S | 90.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -125.8 | 146.3 | -176.5 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | N712 S714 C776 N777 | N712-S716 PolarHBondContact ND2-O 3.33Å; S714-S716 PolarHBondContact O-N 3.43Å; S714-S716 PolarHBondContact OG-N 3.47Å; S714-S716 PolarHBondContact OG-O 2.93Å; S714-S716 PolarHBondContact OG-OG 3.01Å; S716-C776 PolarHBondContact OG-SG 3.02Å; S716-N777 WeakPolarHBondContact CB-OD1 3.34Å; S716-N777 PolarHBondContact OG-OD1 3.07Å; S716-N777 VanDerWaalsContact OG-OD1 3.04Å |
| 717 | S | 93.9 | Very high | 92.9 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | trans | -66.4 | 142.3 | 174.1 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | I746 D747 | S717-I746 CarbonylContact C-O 3.53Å; S717-I746 WeakPolarHBondContact CA-O 3.22Å; S717-D747 WeakPolarHBondContact OG-CA 3.29Å; S717-D747 PolarHBondContact OG-OD1 2.97Å | ||
| 718 | F | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -74.2 | 127.8 | 164.5 | -60.3 | -19 | 0 | 0 | 0 | 109 | I690 L691 N712 F721 R745 I746 F774 M775 C776 | I690-F718 HydrophobicContact CG2-CE1 3.58Å; I690-F718 HydrophobicContact CG2-CZ 3.69Å; I690-F718 WeakPolarHBondContact O-CZ 3.42Å; L691-F718 HydrophobicContact CB-CE2 4.48Å; L691-F718 HydrophobicContact CB-CZ 4.31Å; L691-F718 HydrophobicContact CD1-CE2 3.81Å; L691-F718 HydrophobicContact CD1-CZ 4.46Å; N712-F718 HydrophobicContact CB-CD2 3.96Å; N712-F718 HydrophobicContact CB-CE1 4.21Å; N712-F718 HydrophobicContact CB-CE2 3.54Å; N712-F718 HydrophobicContact CB-CG 4.45Å; N712-F718 HydrophobicContact CB-CZ 3.7Å; N712-F718 VanDerWaalsContact CG-CE1 3.4Å; N712-F718 PolarHBondContact ND2-N 3.47Å; N712-F718 WeakPolarHBondContact OD1-CE1 3.41Å; N712-F718 VanDerWaalsContact OD1-CZ 3.24Å; N712-F718 WeakPolarHBondContact OD1-CZ 3.41Å; F718-F721 HydrophobicContact CB-CD2 4.46Å; F718-F721 HydrophobicContact CD2-CD2 4.18Å; F718-F721 HydrophobicContact CD2-CE2 4.48Å; F718-R745 VanDerWaalsContact O-CA 3.23Å; F718-R745 WeakPolarHBondContact O-CA 3.44Å; F718-R745 WeakPolarHBondContact O-CG 3.48Å; F718-I746 HydrophobicContact CB-CB 4.16Å; F718-I746 HydrophobicContact CD2-CB 3.99Å; F718-I746 HydrophobicContact CD2-CD1 4.36Å; F718-I746 HydrophobicContact CD2-CG2 4.43Å; F718-I746 HydrophobicContact CG-CB 4.43Å; F718-I746 PolarHBondContact N-O 3.19Å; F718-I746 PolarHBondContact O-N 2.81Å; F718-F774 HydrophobicContact CB-CB 4.26Å; F718-F774 HydrophobicContact CB-CD2 4.19Å; F718-F774 AromaticContact CD1-CD2 3.66Å; F718-F774 HydrophobicContact CD1-CD2 3.66Å; F718-F774 AromaticContact CD1-CE2 3.9Å; F718-F774 HydrophobicContact CD1-CE2 3.9Å; F718-F774 AromaticContact CD2-CD2 3.99Å; F718-F774 HydrophobicContact CD2-CD2 3.99Å; F718-F774 HydrophobicContact CD2-CE2 4.34Å; F718-F774 HydrophobicContact CD2-CG 4.4Å; F718-F774 AromaticContact CE1-CD2 3.95Å; F718-F774 HydrophobicContact CE1-CD2 3.95Å; F718-F774 AromaticContact CE1-CE2 3.68Å; F718-F774 HydrophobicContact CE1-CE2 3.68Å; F718-F774 HydrophobicContact CE2-CD2 4.28Å; F718-F774 HydrophobicContact CE2-CE2 4.16Å; F718-F774 AromaticContact CG-CD2 3.68Å; F718-F774 HydrophobicContact CG-CD2 3.68Å; F718-F774 HydrophobicContact CG-CE2 4.22Å; F718-F774 HydrophobicContact CG-CG 4.32Å; F718-F774 HydrophobicContact CZ-CD2 4.24Å; F718-F774 AromaticContact CZ-CE2 3.81Å; F718-F774 HydrophobicContact CZ-CE2 3.81Å; F718-F774 HydrophobicContact CZ-CZ 4.42Å; F718-M775 WeakPolarHBondContact CA-O 3.35Å; F718-C776 HydrophobicContact CD1-CB 3.73Å; F718-C776 HydrophobicContact CE1-CB 3.9Å |
| 719 | A | 92.3 | Very high | 91.5 | Very high | 44 Ų | 44 | 48 Ų | 48 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 160.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F721 D744 M775 | A719-F721 PolarHBondContact O-N 3.33Å; A719-F721 VanDerWaalsContact O-N 3.08Å; A719-D744 CarbonylContact C-O 3.56Å; A719-M775 HydrophobicContact CB-CB 4.45Å; A719-M775 PolarHBondContact N-O 3.46Å; A719-M775 PolarHBondContact O-N 3.3Å |
| 720 | E | 92.2 | Very high | 90.8 | Very high | 114 Ų | 114 | 51 Ų | 51 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.1 | 31.7 | -178 | -58.1 | -179.1 | -169.7 | 0 | 0 | 113 | S722 D744 M780 | E720-S722 PolarHBondContact O-N 3.44Å; E720-D744 PolarHBondContact N-O 3.18Å; E720-M780 HydrophobicContact CB-CE 4.03Å; E720-M780 VanDerWaalsContact OE2-CE 3.27Å; E720-M780 WeakPolarHBondContact OE2-CE 3.44Å |
| 721 | F | 95.7 | Very high | 90.4 | Very high | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.022 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 122.9 | -179.9 | -172.8 | -90.2 | 0 | 0 | 0 | 109.4 | Y710 F718 A719 V742 D744 I746 L772 Q773 F774 | Y710-F721 AromaticContact CD1-CZ 3.83Å; Y710-F721 HydrophobicContact CD1-CZ 3.83Å; Y710-F721 AromaticContact CD2-CE1 3.8Å; Y710-F721 HydrophobicContact CD2-CE1 3.8Å; Y710-F721 AromaticContact CD2-CZ 3.63Å; Y710-F721 HydrophobicContact CD2-CZ 3.63Å; Y710-F721 HydrophobicContact CE1-CZ 4.27Å; Y710-F721 HydrophobicContact CE2-CE1 4.04Å; Y710-F721 HydrophobicContact CE2-CZ 4.06Å; Y710-F721 HydrophobicContact CG-CE1 4.15Å; Y710-F721 HydrophobicContact CG-CE2 4.37Å; Y710-F721 AromaticContact CG-CZ 3.5Å; Y710-F721 HydrophobicContact CG-CZ 3.5Å; Y710-F721 VanDerWaalsContact CG-CZ 3.5Å; F718-F721 HydrophobicContact CB-CD2 4.46Å; F718-F721 HydrophobicContact CD2-CD2 4.18Å; F718-F721 HydrophobicContact CD2-CE2 4.48Å; A719-F721 PolarHBondContact O-N 3.33Å; A719-F721 VanDerWaalsContact O-N 3.08Å; F721-V742 HydrophobicContact CD1-CG1 3.86Å; F721-V742 HydrophobicContact CD1-CG2 4.1Å; F721-V742 HydrophobicContact CE1-CB 4.46Å; F721-V742 HydrophobicContact CE1-CG1 3.74Å; F721-V742 HydrophobicContact CE1-CG2 3.91Å; F721-D744 PolarHBondContact N-O 2.82Å; F721-D744 WeakPolarHBondContact O-CA 3.37Å; F721-I746 HydrophobicContact CB-CG1 4.38Å; F721-I746 HydrophobicContact CD1-CD1 3.86Å; F721-I746 HydrophobicContact CD1-CG1 4.23Å; F721-I746 HydrophobicContact CD2-CD1 3.59Å; F721-I746 HydrophobicContact CD2-CG1 4.08Å; F721-I746 HydrophobicContact CE1-CD1 3.79Å; F721-I746 HydrophobicContact CE2-CD1 3.54Å; F721-I746 HydrophobicContact CG-CD1 3.77Å; F721-I746 HydrophobicContact CG-CG1 3.96Å; F721-I746 HydrophobicContact CZ-CD1 3.66Å; F721-L772 HydrophobicContact CZ-CD2 4.3Å; F721-Q773 CarbonylContact C-O 3.55Å; F721-Q773 WeakPolarHBondContact CA-O 3.47Å; F721-F774 HydrophobicContact CB-CB 4.39Å; F721-F774 HydrophobicContact CD2-CB 3.7Å; F721-F774 HydrophobicContact CD2-CD1 4.5Å; F721-F774 HydrophobicContact CD2-CG 4.26Å; F721-F774 HydrophobicContact CE2-CB 4.46Å; F721-F774 HydrophobicContact CE2-CD1 4.47Å; F721-F774 HydrophobicContact CG-CB 4.46Å |
| 722 | S | 93.6 | Very high | 90.1 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 142.7 | 176.7 | 75.9 | 0 | 0 | 0 | 0 | 110.4 | E720 L772 Q773 | E720-S722 PolarHBondContact O-N 3.44Å; S722-L772 CarbonylContact O-C 3.49Å; S722-L772 WeakPolarHBondContact O-CA 3.39Å; S722-Q773 PolarHBondContact N-O 3.12Å; S722-Q773 PolarHBondContact O-N 3.11Å |
| 723 | S | 94.8 | Very high | 89.7 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 119.7 | 177.5 | 165.8 | 0 | 0 | 0 | 0 | 108.3 | Y710 Q754 L770 | Y710-S723 PolarHBondContact OH-OG 2.96Å; S723-Q754 VanDerWaalsContact CB-OE1 3.28Å; S723-Q754 PolarHBondContact OG-OE1 3.46Å; S723-L770 VanDerWaalsContact OG-CD1 3.28Å; S723-L770 WeakPolarHBondContact OG-CD1 3.38Å |
| 724 | R | 91.5 | Very high | 89.8 | Confident | 148 Ų | 148 | 57.8 Ų | 57.8 | 56% | 0.558 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130 | -179.6 | -57.5 | -176.2 | -156.3 | -172.8 | 6.9 | 109.7 | D771 | R724-D771 HydrophobicContact CB-CB 4.46Å; R724-D771 PolarHBondContact N-O 3.09Å; R724-D771 PolarHBondContact O-N 3.04Å |
| 725 | L | 91.4 | Very high | 90.1 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 126.8 | 173 | -171.2 | 79.1 | 0 | 0 | 0 | 109.3 | M737 V739 P768 S769 L787 | L725-M737 HydrophobicContact CD1-CE 3.73Å; L725-M737 HydrophobicContact CD2-CB 3.62Å; L725-M737 HydrophobicContact CD2-CE 3.53Å; L725-M737 HydrophobicContact CD2-CG 4.2Å; L725-M737 HydrophobicContact CD2-SD 3.64Å; L725-M737 HydrophobicContact CG-CE 4.25Å; L725-V739 HydrophobicContact CB-CG2 3.93Å; L725-V739 HydrophobicContact CD2-CG2 3.89Å; L725-V739 HydrophobicContact CG-CG2 4.44Å; L725-P768 HydrophobicContact CD1-CB 4.25Å; L725-S769 WeakPolarHBondContact CD1-O 3.42Å; L725-L787 HydrophobicContact CD1-CD1 3.44Å; L725-L787 VanDerWaalsContact CD1-CD1 3.44Å |
| 726 | V | 89 | Confident | 90.3 | Very high | 65 Ų | 65 | 54.7 Ų | 54.7 | 39% | 0.394 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 111.3 | 178.3 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | S769 D771 | V726-S769 PolarHBondContact N-O 3.33Å; V726-S769 PolarHBondContact O-N 3.07Å; V726-D771 HydrophobicContact CG2-CB 3.8Å |
| 727 | C | 84.5 | Confident | 90.4 | Very high | 38 Ų | 38 | 55.1 Ų | 55.1 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | trans | -119.2 | 141.6 | 175.4 | -65.2 | 0 | 0 | 0 | 0 | 109.2 | L731 | C727-L731 HydrophobicContact CB-CB 4.35Å; C727-L731 HydrophobicContact CB-CD2 4.2Å; C727-L731 HydrophobicContact CB-CG 4.5Å | ||
| 728 | S | 82.8 | Confident | 90.2 | Very high | 60 Ų | 60 | 59 Ų | 59 | 42% | 0.42 | 32% | 0.324 | S | S | . | . | trans | -65.8 | 160.5 | 167.7 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | D730 L731 T732 | S728-D730 PolarHBondContact O-N 3.41Å; S728-L731 PolarHBondContact O-N 3.29Å; S728-L731 WeakPolarHBondContact OG-CB 3.32Å; S728-L731 PolarHBondContact OG-N 3.15Å; S728-T732 PolarHBondContact O-N 3.03Å; S728-T732 VanDerWaalsContact O-N 3.07Å; S728-T732 PolarHBondContact O-OG1 3.46Å | ||
| 729 | S | 78.6 | Confident | 90 | Very high | 92 Ų | 92 | 61.5 Ų | 61.5 | 64% | 0.643 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -54.1 | -40.4 | 176.4 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | N733 | S729-N733 PolarHBondContact O-ND2 3.32Å |
| 730 | D | 82.6 | Confident | 89.8 | Confident | 108 Ų | 108 | 64.9 Ų | 64.9 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69.2 | -43.7 | 179.4 | -62.3 | -22.9 | 0 | 0 | 0 | 111.5 | S728 T732 N733 Q734 | S728-D730 PolarHBondContact O-N 3.41Å; D730-T732 PolarHBondContact O-N 3.44Å; D730-N733 PolarHBondContact O-N 3.3Å; D730-N733 VanDerWaalsContact O-N 3.07Å; D730-Q734 WeakPolarHBondContact O-CG 3.47Å; D730-Q734 PolarHBondContact O-N 2.89Å |
| 731 | L | 89.3 | Confident | 89.6 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -32.3 | -179.6 | -168.7 | 63.3 | 0 | 0 | 0 | 111.9 | C727 S728 N733 Q734 L735 F764 V766 P768 | C727-L731 HydrophobicContact CB-CB 4.35Å; C727-L731 HydrophobicContact CB-CD2 4.2Å; C727-L731 HydrophobicContact CB-CG 4.5Å; S728-L731 PolarHBondContact O-N 3.29Å; S728-L731 WeakPolarHBondContact OG-CB 3.32Å; S728-L731 PolarHBondContact OG-N 3.15Å; L731-N733 PolarHBondContact O-N 3.43Å; L731-Q734 PolarHBondContact O-N 2.99Å; L731-L735 HydrophobicContact CD1-CD1 3.62Å; L731-L735 HydrophobicContact CD1-CG 3.98Å; L731-L735 HydrophobicContact CD2-CD1 4.42Å; L731-L735 HydrophobicContact CG-CD1 4.01Å; L731-L735 HydrophobicContact CG-CG 4.46Å; L731-L735 PolarHBondContact O-N 3.3Å; L731-F764 HydrophobicContact CD1-CB 3.87Å; L731-F764 HydrophobicContact CD1-CD2 4.12Å; L731-F764 HydrophobicContact CD1-CG 4.24Å; L731-V766 VanDerWaalsContact CD1-O 3.29Å; L731-V766 WeakPolarHBondContact CD1-O 3.39Å; L731-P768 HydrophobicContact CD2-CB 3.76Å |
| 732 | T | 86.7 | Confident | 89.3 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.4 | -25.1 | 177.3 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | S728 D730 | S728-T732 PolarHBondContact O-N 3.03Å; S728-T732 VanDerWaalsContact O-N 3.07Å; S728-T732 PolarHBondContact O-OG1 3.46Å; D730-T732 PolarHBondContact O-N 3.44Å |
| 733 | N | 89.3 | Confident | 89 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 64% | 0.642 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -85.2 | -22.3 | 173.5 | -67 | -40.6 | 0 | 0 | 0 | 112.8 | S729 D730 L731 | S729-N733 PolarHBondContact O-ND2 3.32Å; D730-N733 PolarHBondContact O-N 3.3Å; D730-N733 VanDerWaalsContact O-N 3.07Å; L731-N733 PolarHBondContact O-N 3.43Å |
| 734 | Q | 93.6 | Very high | 89 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 21% | 0.21 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -92.8 | -31.5 | -178.1 | -62.4 | 172.4 | -25.1 | 0 | 0 | 112.7 | D730 L731 I761 S762 D763 F764 | D730-Q734 WeakPolarHBondContact O-CG 3.47Å; D730-Q734 PolarHBondContact O-N 2.89Å; L731-Q734 PolarHBondContact O-N 2.99Å; Q734-I761 WeakPolarHBondContact O-CA 3.5Å; Q734-I761 VanDerWaalsContact O-CB 3.31Å; Q734-I761 WeakPolarHBondContact O-CB 3.3Å; Q734-I761 PolarHBondContact O-N 2.59Å; Q734-S762 WeakPolarHBondContact CG-OG 3.33Å; Q734-S762 PolarHBondContact O-N 3.31Å; Q734-D763 PolarHBondContact NE2-O 3.08Å; Q734-F764 HydrophobicContact CB-CB 3.97Å; Q734-F764 HydrophobicContact CG-CB 4.48Å |
| 735 | L | 94.3 | Very high | 89 | Confident | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.026 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.4 | -179.7 | -65.8 | -179.3 | 0 | 0 | 0 | 110.4 | L731 M737 V758 C760 F764 L789 | L731-L735 HydrophobicContact CD1-CD1 3.62Å; L731-L735 HydrophobicContact CD1-CG 3.98Å; L731-L735 HydrophobicContact CD2-CD1 4.42Å; L731-L735 HydrophobicContact CG-CD1 4.01Å; L731-L735 HydrophobicContact CG-CG 4.46Å; L731-L735 PolarHBondContact O-N 3.3Å; L735-M737 HydrophobicContact CB-CG 4.09Å; L735-M737 HydrophobicContact CB-SD 4.3Å; L735-M737 HydrophobicContact CD1-SD 4.15Å; L735-V758 HydrophobicContact CD2-CG1 4.05Å; L735-C760 HydrophobicContact CD2-CB 4.31Å; L735-F764 HydrophobicContact CD1-CD1 4.46Å; L735-F764 HydrophobicContact CD1-CD2 4.15Å; L735-F764 HydrophobicContact CD1-CE2 4.18Å; L735-F764 HydrophobicContact CD1-CG 4.29Å; L735-F764 HydrophobicContact CD1-CZ 4.36Å; L735-F764 HydrophobicContact CD2-CD1 3.67Å; L735-F764 HydrophobicContact CD2-CE1 3.65Å; L735-F764 HydrophobicContact CD2-CG 4.27Å; L735-F764 HydrophobicContact CD2-CZ 4.21Å; L735-F764 HydrophobicContact CG-CD1 4.14Å; L735-F764 HydrophobicContact CG-CE1 4.43Å; L735-F764 HydrophobicContact CG-CG 4.24Å; L735-L789 HydrophobicContact CD1-CD2 3.6Å |
| 736 | N | 92.9 | Very high | 89.1 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109.8 | 168.4 | 172 | 25.2 | 0 | 0 | 0 | 108.8 | V758 E759 I761 | N736-V758 CarbonylContact O-C 3.59Å; N736-V758 WeakPolarHBondContact O-CA 3.48Å; N736-E759 HydrophobicContact CB-CB 4.18Å; N736-E759 PolarHBondContact N-O 2.78Å; N736-E759 PolarHBondContact ND2-OE2 3.24Å; N736-E759 PolarHBondContact O-N 3.49Å; N736-I761 HydrophobicContact CB-CD1 3.94Å; N736-I761 HydrophobicContact CB-CG1 4.31Å |
| 737 | M | 92.6 | Very high | 89.3 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.1 | -173.5 | -61.8 | -176.1 | 67.4 | 0 | 0 | 110.9 | L725 L735 I756 N757 V758 P768 L787 L789 | L725-M737 HydrophobicContact CD1-CE 3.73Å; L725-M737 HydrophobicContact CD2-CB 3.62Å; L725-M737 HydrophobicContact CD2-CE 3.53Å; L725-M737 HydrophobicContact CD2-CG 4.2Å; L725-M737 HydrophobicContact CD2-SD 3.64Å; L725-M737 HydrophobicContact CG-CE 4.25Å; L735-M737 HydrophobicContact CB-CG 4.09Å; L735-M737 HydrophobicContact CB-SD 4.3Å; L735-M737 HydrophobicContact CD1-SD 4.15Å; M737-I756 HydrophobicContact CE-CG2 3.64Å; M737-N757 CarbonylContact C-O 3.56Å; M737-N757 WeakPolarHBondContact CA-O 3.49Å; M737-V758 HydrophobicContact CE-CG2 3.88Å; M737-V758 HydrophobicContact CG-CG1 4.11Å; M737-V758 HydrophobicContact CG-CG2 4.1Å; M737-P768 HydrophobicContact CE-CB 4.12Å; M737-P768 HydrophobicContact CE-CG 3.75Å; M737-P768 HydrophobicContact SD-CB 3.87Å; M737-P768 HydrophobicContact SD-CG 3.8Å; M737-L787 HydrophobicContact CE-CD1 4.41Å; M737-L789 HydrophobicContact CE-CD2 4.3Å; M737-L789 HydrophobicContact SD-CD2 4.41Å |
| 738 | Q | 90.5 | Very high | 89.6 | Confident | 122 Ų | 122 | 70.6 Ų | 70.6 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 109.2 | 176.3 | -65.6 | -178.1 | 2.6 | 0 | 0 | 109.4 | I756 N757 | Q738-I756 WeakPolarHBondContact O-CA 3.39Å; Q738-N757 HydrophobicContact CB-CB 4.45Å; Q738-N757 PolarHBondContact N-O 2.74Å; Q738-N757 PolarHBondContact O-N 3.27Å |
| 739 | V | 91.7 | Very high | 89.8 | Confident | 53 Ų | 53 | 71 Ų | 71 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121.2 | -177.1 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | L725 Q754 I756 | L725-V739 HydrophobicContact CB-CG2 3.93Å; L725-V739 HydrophobicContact CD2-CG2 3.89Å; L725-V739 HydrophobicContact CG-CG2 4.44Å; V739-Q754 HydrophobicContact CG1-CG 4.35Å; V739-I756 HydrophobicContact CG1-CG1 4.24Å; V739-I756 HydrophobicContact CG2-CG1 4.25Å; V739-I756 HydrophobicContact CG2-CG2 4.11Å |
| 740 | K | 89.1 | Confident | 90.5 | Very high | 114 Ų | 114 | 68.2 Ų | 68.2 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 132.6 | 169.5 | -167.2 | 177.3 | -179.5 | -177.3 | 0 | 108.2 | Q754 L755 | K740-Q754 WeakPolarHBondContact O-CG 3.29Å; K740-Q754 PolarHBondContact O-NE2 3.04Å; K740-L755 HydrophobicContact CB-CB 4.26Å; K740-L755 WeakPolarHBondContact CB-O 3.14Å; K740-L755 PolarHBondContact N-O 3.1Å |
| 741 | P | 88.2 | Confident | 91 | Very high | 118 Ų | 118 | 68.3 Ų | 68.3 | 77% | 0.766 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 147.3 | 178.1 | 26.3 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 742 | V | 89.4 | Confident | 91.2 | Very high | 29 Ų | 29 | 70.3 Ų | 70.3 | 18% | 0.176 | 40% | 0.401 | C | S | . | . | trans | -104.8 | 152.3 | 172.7 | 63.6 | 0 | 0 | 0 | 0 | 108.8 | Y710 F721 V752 Q754 | Y710-V742 HydrophobicContact CD2-CG2 4.41Å; Y710-V742 HydrophobicContact CE2-CG2 4.48Å; F721-V742 HydrophobicContact CD1-CG1 3.86Å; F721-V742 HydrophobicContact CD1-CG2 4.1Å; F721-V742 HydrophobicContact CE1-CB 4.46Å; F721-V742 HydrophobicContact CE1-CG1 3.74Å; F721-V742 HydrophobicContact CE1-CG2 3.91Å; V742-V752 HydrophobicContact CG2-CG1 3.69Å; V742-Q754 HydrophobicContact CB-CB 4.48Å; V742-Q754 HydrophobicContact CB-CG 4.45Å | ||
| 743 | G | 87.3 | Confident | 91.6 | Very high | 43 Ų | 43 | 71.2 Ų | 71.2 | 44% | 0.443 | 40% | 0.4 | S | S | . | . | trans | -63.6 | 158.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R745 | G743-R745 PolarHBondContact O-N 3.06Š| ||
| 744 | D | 93.1 | Very high | 91.9 | Very high | 120 Ų | 120 | 65.7 Ų | 65.7 | 64% | 0.642 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -82.4 | 2.1 | 179.6 | 61.5 | -12.8 | 0 | 0 | 0 | 113.9 | A719 E720 F721 | A719-D744 CarbonylContact C-O 3.56Å; E720-D744 PolarHBondContact N-O 3.18Å; F721-D744 PolarHBondContact N-O 2.82Å; F721-D744 WeakPolarHBondContact O-CA 3.37Å |
| 745 | R | 92.4 | Very high | 91.8 | Very high | 151 Ų | 151 | 65.6 Ų | 65.6 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | trans | -140.9 | 136.6 | 179.9 | -179.5 | 176.7 | 167.3 | 166.4 | -1.4 | 111.2 | F718 G743 D747 | F718-R745 VanDerWaalsContact O-CA 3.23Å; F718-R745 WeakPolarHBondContact O-CA 3.44Å; F718-R745 WeakPolarHBondContact O-CG 3.48Å; G743-R745 PolarHBondContact O-N 3.06Å; R745-D747 IonicContact CZ-OD1 3.23Å; R745-D747 VanDerWaalsContact CZ-OD1 3.24Å; R745-D747 IonicContact NE-OD1 2.88Å; R745-D747 PolarHBondContact NE-OD1 3.14Å; R745-D747 IonicContact NH2-OD1 3.75Å; R745-D747 PolarHBondContact NH2-OD1 3.47Å | ||
| 746 | I | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -126 | 113.7 | 171.5 | -55.1 | -173.8 | 0 | 0 | 0 | 108.2 | Y710 N712 S717 F718 F721 A750 V752 | Y710-I746 HydrophobicContact CG-CD1 4.47Å; N712-I746 HydrophobicContact CB-CG2 3.78Å; N712-I746 PolarHBondContact ND2-O 3.42Å; N712-I746 VanDerWaalsContact ND2-O 3.09Å; S717-I746 CarbonylContact C-O 3.53Å; S717-I746 WeakPolarHBondContact CA-O 3.22Å; F718-I746 HydrophobicContact CB-CB 4.16Å; F718-I746 HydrophobicContact CD2-CB 3.99Å; F718-I746 HydrophobicContact CD2-CD1 4.36Å; F718-I746 HydrophobicContact CD2-CG2 4.43Å; F718-I746 HydrophobicContact CG-CB 4.43Å; F718-I746 PolarHBondContact N-O 3.19Å; F718-I746 PolarHBondContact O-N 2.81Å; F721-I746 HydrophobicContact CB-CG1 4.38Å; F721-I746 HydrophobicContact CD1-CD1 3.86Å; F721-I746 HydrophobicContact CD1-CG1 4.23Å; F721-I746 HydrophobicContact CD2-CD1 3.59Å; F721-I746 HydrophobicContact CD2-CG1 4.08Å; F721-I746 HydrophobicContact CE1-CD1 3.79Å; F721-I746 HydrophobicContact CE2-CD1 3.54Å; F721-I746 HydrophobicContact CG-CD1 3.77Å; F721-I746 HydrophobicContact CG-CG1 3.96Å; F721-I746 HydrophobicContact CZ-CD1 3.66Å; I746-A750 HydrophobicContact CG2-CB 4.38Å; I746-V752 HydrophobicContact CB-CG2 4.41Å; I746-V752 HydrophobicContact CD1-CB 4.2Å; I746-V752 HydrophobicContact CD1-CG2 4.23Å; I746-V752 HydrophobicContact CG1-CB 4.41Å; I746-V752 HydrophobicContact CG1-CG2 3.93Å; I746-V752 HydrophobicContact CG2-CG2 4.02Å |
| 747 | D | 92.1 | Very high | 92 | Very high | 75 Ų | 75 | 65.2 Ų | 65.2 | 40% | 0.401 | 37% | 0.368 | S | S | . | . | trans | -66.6 | 157.8 | -176.9 | -70.7 | -46.2 | 0 | 0 | 0 | 113.6 | N712 S717 R745 G749 A750 | N712-D747 WeakPolarHBondContact CB-O 3.41Å; N712-D747 PolarHBondContact ND2-O 2.88Å; S717-D747 WeakPolarHBondContact OG-CA 3.29Å; S717-D747 PolarHBondContact OG-OD1 2.97Å; R745-D747 IonicContact CZ-OD1 3.23Å; R745-D747 VanDerWaalsContact CZ-OD1 3.24Å; R745-D747 IonicContact NE-OD1 2.88Å; R745-D747 PolarHBondContact NE-OD1 3.14Å; R745-D747 IonicContact NH2-OD1 3.75Å; R745-D747 PolarHBondContact NH2-OD1 3.47Å; D747-G749 PolarHBondContact O-N 3.09Å; D747-A750 HydrophobicContact CB-CB 4.11Å; D747-A750 VanDerWaalsContact O-CB 3.22Å; D747-A750 WeakPolarHBondContact O-CB 3.4Å; D747-A750 PolarHBondContact O-N 3.37Å | ||
| 748 | A | 90.4 | Very high | 92.1 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 131.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | S714 A750 | S714-A748 WeakPolarHBondContact O-CB 3.48Å; A748-A750 PolarHBondContact O-N 3.1Å; A748-A750 VanDerWaalsContact O-N 3.14Å |
| 749 | G | 88 | Confident | 92.4 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | -4.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N712 D747 | N712-G749 WeakPolarHBondContact O-CA 3.28Å; N712-G749 PolarHBondContact O-N 2.58Å; D747-G749 PolarHBondContact O-N 3.09Å |
| 750 | A | 92.2 | Very high | 92.6 | Very high | 35 Ų | 35 | 57.6 Ų | 57.6 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | trans | -83.4 | 156.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N712 I746 D747 A748 | N712-A750 PolarHBondContact N-O 3.19Å; I746-A750 HydrophobicContact CG2-CB 4.38Å; D747-A750 HydrophobicContact CB-CB 4.11Å; D747-A750 VanDerWaalsContact O-CB 3.22Å; D747-A750 WeakPolarHBondContact O-CB 3.4Å; D747-A750 PolarHBondContact O-N 3.37Å; A748-A750 PolarHBondContact O-N 3.1Å; A748-A750 VanDerWaalsContact O-N 3.14Å | ||
| 751 | Q | 92.8 | Very high | 92.8 | Very high | 110 Ų | 110 | 53.3 Ų | 53.3 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.9 | 171.7 | -174 | 178.7 | 92.1 | 0 | 0 | 110.1 | F709 Y710 | F709-Q751 HydrophobicContact CB-CG 4.16Å; Y710-Q751 CarbonylContact O-C 3.59Å; Y710-Q751 VanDerWaalsContact O-CA 3.28Å; Y710-Q751 WeakPolarHBondContact O-CA 3.39Å |
| 752 | V | 94.2 | Very high | 93.1 | Very high | 43 Ų | 43 | 49 Ų | 49 | 26% | 0.261 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.5 | 179 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | F709 Y710 V742 I746 | F709-V752 CarbonylContact C-O 3.46Å; F709-V752 WeakPolarHBondContact CA-O 3.46Å; Y710-V752 PolarHBondContact N-O 3.36Å; Y710-V752 PolarHBondContact O-N 3.39Å; V742-V752 HydrophobicContact CG2-CG1 3.69Å; I746-V752 HydrophobicContact CB-CG2 4.41Å; I746-V752 HydrophobicContact CD1-CB 4.2Å; I746-V752 HydrophobicContact CD1-CG2 4.23Å; I746-V752 HydrophobicContact CG1-CB 4.41Å; I746-V752 HydrophobicContact CG1-CG2 3.93Å; I746-V752 HydrophobicContact CG2-CG2 4.02Å |
| 753 | Q | 94.8 | Very high | 93.2 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.4 | 178.1 | -174 | -173.6 | 16.9 | 0 | 0 | 111.5 | A707 V708 F709 L755 | A707-Q753 HydrophobicContact CB-CG 4.31Å; V708-Q753 CarbonylContact O-C 3.56Å; V708-Q753 WeakPolarHBondContact O-CA 3.25Å; F709-Q753 HydrophobicContact CD1-CB 4.01Å; F709-Q753 HydrophobicContact CD1-CG 4.05Å; F709-Q753 HydrophobicContact CE1-CB 3.95Å; F709-Q753 HydrophobicContact CE1-CG 3.67Å; F709-Q753 HydrophobicContact CZ-CG 4.08Å; Q753-L755 HydrophobicContact CG-CD2 4.49Å |
| 754 | Q | 95.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.6 | 168.7 | -172.3 | 177.6 | 26.9 | 0 | 0 | 110.3 | A707 V708 Y710 S723 V739 K740 V742 | A707-Q754 WeakPolarHBondContact CA-O 3.4Å; V708-Q754 PolarHBondContact N-O 3.42Å; V708-Q754 PolarHBondContact O-N 3.04Å; Y710-Q754 HydrophobicContact CE2-CB 3.67Å; Y710-Q754 PolarHBondContact OH-OE1 3.27Å; S723-Q754 VanDerWaalsContact CB-OE1 3.28Å; S723-Q754 PolarHBondContact OG-OE1 3.46Å; V739-Q754 HydrophobicContact CG1-CG 4.35Å; K740-Q754 WeakPolarHBondContact O-CG 3.29Å; K740-Q754 PolarHBondContact O-NE2 3.04Å; V742-Q754 HydrophobicContact CB-CB 4.48Å; V742-Q754 HydrophobicContact CB-CG 4.45Å |
| 755 | L | 92.9 | Very high | 93.4 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.225 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.6 | 178.9 | -68.6 | 175.2 | 0 | 0 | 0 | 110.8 | R705 A707 K740 Q753 | R705-L755 HydrophobicContact CG-CD2 4.38Å; A707-L755 HydrophobicContact CB-CD2 3.81Å; K740-L755 HydrophobicContact CB-CB 4.26Å; K740-L755 WeakPolarHBondContact CB-O 3.14Å; K740-L755 PolarHBondContact N-O 3.1Å; Q753-L755 HydrophobicContact CG-CD2 4.49Å |
| 756 | I | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 109 | 175.4 | -54.6 | 174 | 0 | 0 | 0 | 107.1 | R705 L706 V708 M737 Q738 V739 V758 L787 | R705-I756 WeakPolarHBondContact CA-O 3.46Å; L706-I756 HydrophobicContact CB-CB 4.28Å; L706-I756 HydrophobicContact CD2-CD1 4.45Å; L706-I756 PolarHBondContact N-O 2.73Å; L706-I756 PolarHBondContact O-N 2.99Å; V708-I756 HydrophobicContact CG2-CD1 3.86Å; M737-I756 HydrophobicContact CE-CG2 3.64Å; Q738-I756 WeakPolarHBondContact O-CA 3.39Å; V739-I756 HydrophobicContact CG1-CG1 4.24Å; V739-I756 HydrophobicContact CG2-CG1 4.25Å; V739-I756 HydrophobicContact CG2-CG2 4.11Å; I756-V758 HydrophobicContact CG2-CG2 4Å; I756-L787 HydrophobicContact CD1-CD1 3.95Å |
| 757 | N | 94.3 | Very high | 93.1 | Very high | 59 Ų | 59 | 41.8 Ų | 41.8 | 32% | 0.316 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 136 | 172 | -61.7 | -56.7 | 0 | 0 | 0 | 108.8 | R705 M737 Q738 | R705-N757 PolarHBondContact NE-OD1 3.04Å; M737-N757 CarbonylContact C-O 3.56Å; M737-N757 WeakPolarHBondContact CA-O 3.49Å; Q738-N757 HydrophobicContact CB-CB 4.45Å; Q738-N757 PolarHBondContact N-O 2.74Å; Q738-N757 PolarHBondContact O-N 3.27Å |
| 758 | V | 96 | Very high | 93.1 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.9 | -174 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | L703 A704 L735 N736 M737 I756 L789 F794 | L703-V758 CarbonylContact C-O 3.49Å; L703-V758 WeakPolarHBondContact CA-O 3.26Å; A704-V758 HydrophobicContact CB-CB 4.22Å; A704-V758 PolarHBondContact N-O 3.05Å; A704-V758 PolarHBondContact O-N 3.13Å; L735-V758 HydrophobicContact CD2-CG1 4.05Å; N736-V758 CarbonylContact O-C 3.59Å; N736-V758 WeakPolarHBondContact O-CA 3.48Å; M737-V758 HydrophobicContact CE-CG2 3.88Å; M737-V758 HydrophobicContact CG-CG1 4.11Å; M737-V758 HydrophobicContact CG-CG2 4.1Å; I756-V758 HydrophobicContact CG2-CG2 4Å; V758-L789 HydrophobicContact CG1-CD1 4.46Å; V758-L789 HydrophobicContact CG1-CD2 3.8Å; V758-L789 HydrophobicContact CG2-CD2 4.2Å; V758-F794 HydrophobicContact CG1-CZ 4.09Å |
| 759 | E | 95.3 | Very high | 93.1 | Very high | 43 Ų | 43 | 36.7 Ų | 36.7 | 20% | 0.201 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.7 | 166 | 175 | -171.3 | -156.5 | 0 | 0 | 108.7 | L703 N736 I761 R826 | L703-E759 HydrophobicContact CD2-CB 3.86Å; L703-E759 HydrophobicContact CD2-CG 3.93Å; N736-E759 HydrophobicContact CB-CB 4.18Å; N736-E759 PolarHBondContact N-O 2.78Å; N736-E759 PolarHBondContact ND2-OE2 3.24Å; N736-E759 PolarHBondContact O-N 3.49Å; E759-I761 PolarHBondContact O-N 2.87Å; E759-R826 WeakPolarHBondContact OE1-CD 3.39Å; E759-R826 IonicContact OE1-NH1 3.76Å; E759-R826 IonicContact OE2-NH1 2.94Å |
| 760 | C | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 106.4 | 172.8 | -174 | 0 | 0 | 0 | 0 | 109.5 | N702 L735 S762 F794 T825 R826 | N702-C760 HydrophobicContact CB-CB 4.4Å; N702-C760 WeakPolarHBondContact O-CB 3.46Å; N702-C760 PolarHBondContact O-N 3.24Å; L735-C760 HydrophobicContact CD2-CB 4.31Å; C760-S762 PolarHBondContact SG-O 3.29Å; C760-S762 VanDerWaalsContact SG-O 3.33Å; C760-F794 HydrophobicContact CB-CD1 3.69Å; C760-F794 HydrophobicContact CB-CD2 4.03Å; C760-F794 HydrophobicContact CB-CE1 3.55Å; C760-F794 HydrophobicContact CB-CE2 3.92Å; C760-F794 HydrophobicContact CB-CG 3.91Å; C760-F794 HydrophobicContact CB-CZ 3.67Å; C760-T825 CarbonylContact O-C 3.49Å; C760-T825 WeakPolarHBondContact O-CA 3.42Å; C760-R826 PolarHBondContact O-N 3.45Å |
| 761 | I | 94.4 | Very high | 93.4 | Very high | 23 Ų | 23 | 32.5 Ų | 32.5 | 12% | 0.118 | 17% | 0.169 | C | C | . | . | trans | -79 | -49.7 | -179.7 | -60.8 | 174.7 | 0 | 0 | 0 | 109.8 | Q734 N736 E759 T825 R826 T827 | Q734-I761 WeakPolarHBondContact O-CA 3.5Å; Q734-I761 VanDerWaalsContact O-CB 3.31Å; Q734-I761 WeakPolarHBondContact O-CB 3.3Å; Q734-I761 PolarHBondContact O-N 2.59Å; N736-I761 HydrophobicContact CB-CD1 3.94Å; N736-I761 HydrophobicContact CB-CG1 4.31Å; E759-I761 PolarHBondContact O-N 2.87Å; I761-T825 WeakPolarHBondContact O-CB 3.16Å; I761-R826 PolarHBondContact O-N 3.02Å; I761-T827 HydrophobicContact CG2-CG2 4.08Å; I761-T827 WeakPolarHBondContact O-CB 3.45Å; I761-T827 WeakPolarHBondContact O-CG2 3.34Å; I761-T827 PolarHBondContact O-N 3.19Å; I761-T827 PolarHBondContact O-OG1 2.9Å | ||
| 762 | S | 93.7 | Very high | 93.5 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 20% | 0.196 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -142.9 | 174.7 | 179.2 | 64 | 0 | 0 | 0 | 0 | 110.2 | Q734 C760 | Q734-S762 WeakPolarHBondContact CG-OG 3.33Å; Q734-S762 PolarHBondContact O-N 3.31Å; C760-S762 PolarHBondContact SG-O 3.29Å; C760-S762 VanDerWaalsContact SG-O 3.33Å |
| 763 | D | 92 | Very high | 93.5 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 5% | 0.053 | 14% | 0.143 | C | C | . | . | trans | -59.5 | 142.8 | 172.2 | 51.9 | -62 | 0 | 0 | 0 | 111.9 | Q734 Y765 L791 Q828 I830 K853 V856 | Q734-D763 PolarHBondContact NE2-O 3.08Å; D763-Y765 PolarHBondContact OD2-OH 3.5Å; D763-L791 HydrophobicContact CB-CD1 4.27Å; D763-L791 HydrophobicContact CB-CD2 3.91Å; D763-Q828 PolarHBondContact OD1-NE2 3Å; D763-Q828 VanDerWaalsContact OD1-NE2 3.16Å; D763-I830 HydrophobicContact CB-CD1 4.31Å; D763-K853 IonicContact OD1-NZ 3.65Å; D763-K853 PolarHBondContact OD1-NZ 3.27Å; D763-K853 VanDerWaalsContact OD2-CE 3.27Å; D763-K853 WeakPolarHBondContact OD2-CE 3.38Å; D763-K853 IonicContact OD2-NZ 3.11Å; D763-K853 PolarHBondContact OD2-NZ 3.3Å; D763-V856 HydrophobicContact CB-CG2 4.06Å | ||
| 764 | F | 93.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | trans | -139.6 | 155.4 | -179.8 | 66.4 | -82.6 | 0 | 0 | 0 | 109.4 | L731 Q734 L735 V766 L789 L791 F794 | L731-F764 HydrophobicContact CD1-CB 3.87Å; L731-F764 HydrophobicContact CD1-CD2 4.12Å; L731-F764 HydrophobicContact CD1-CG 4.24Å; Q734-F764 HydrophobicContact CB-CB 3.97Å; Q734-F764 HydrophobicContact CG-CB 4.48Å; L735-F764 HydrophobicContact CD1-CD1 4.46Å; L735-F764 HydrophobicContact CD1-CD2 4.15Å; L735-F764 HydrophobicContact CD1-CE2 4.18Å; L735-F764 HydrophobicContact CD1-CG 4.29Å; L735-F764 HydrophobicContact CD1-CZ 4.36Å; L735-F764 HydrophobicContact CD2-CD1 3.67Å; L735-F764 HydrophobicContact CD2-CE1 3.65Å; L735-F764 HydrophobicContact CD2-CG 4.27Å; L735-F764 HydrophobicContact CD2-CZ 4.21Å; L735-F764 HydrophobicContact CG-CD1 4.14Å; L735-F764 HydrophobicContact CG-CE1 4.43Å; L735-F764 HydrophobicContact CG-CG 4.24Å; F764-V766 WeakPolarHBondContact CD2-O 3.39Å; F764-L789 HydrophobicContact CZ-CG 4.24Å; F764-L791 HydrophobicContact CD1-CD1 3.9Å; F764-L791 HydrophobicContact CE1-CB 4.21Å; F764-L791 HydrophobicContact CE1-CD1 3.85Å; F764-L791 HydrophobicContact CZ-CB 4.33Å; F764-F794 AromaticContact CE1-CD2 4Å; F764-F794 HydrophobicContact CE1-CD2 4Å; F764-F794 AromaticContact CE1-CE2 3.66Å; F764-F794 HydrophobicContact CE1-CE2 3.66Å; F764-F794 HydrophobicContact CZ-CD2 4.35Å; F764-F794 AromaticContact CZ-CE2 3.83Å; F764-F794 HydrophobicContact CZ-CE2 3.83Å | ||
| 765 | Y | 90.9 | Very high | 93.4 | Very high | 81 Ų | 81 | 25.3 Ų | 25.3 | 32% | 0.318 | 13% | 0.133 | S | C | . | . | trans | -127.9 | -2 | -171.3 | -54.6 | -72.5 | 0 | 0 | 0 | 113.4 | D763 S855 H859 | D763-Y765 PolarHBondContact OD2-OH 3.5Å; Y765-S855 VanDerWaalsContact OH-CB 3.23Å; Y765-S855 WeakPolarHBondContact OH-CB 3.48Å; Y765-S855 PolarHBondContact OH-OG 2.99Å; Y765-H859 HydrophobicContact CD1-CB 3.59Å; Y765-H859 AromaticContact CD1-CD2 3.58Å; Y765-H859 AromaticContact CD1-CG 3.46Å; Y765-H859 VanDerWaalsContact CD1-CG 3.46Å; Y765-H859 AromaticContact CD1-ND1 3.92Å; Y765-H859 HydrophobicContact CE1-CB 3.8Å; Y765-H859 PolarHBondContact O-CE1 3.12Å | ||
| 766 | V | 89 | Confident | 93.2 | Very high | 85 Ų | 85 | 23.4 Ų | 23.4 | 52% | 0.515 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -128.2 | 130.2 | -178.2 | -178.5 | 0 | 0 | 0 | 0 | 108 | L731 F764 | L731-V766 VanDerWaalsContact CD1-O 3.29Å; L731-V766 WeakPolarHBondContact CD1-O 3.39Å; F764-V766 WeakPolarHBondContact CD2-O 3.39Å |
| 767 | S | 89.8 | Confident | 92.9 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 10% | 0.098 | 15% | 0.151 | C | C | . | . | trans | -77 | 140.7 | 176.3 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | L787 L789 | S767-L787 WeakPolarHBondContact CB-O 3.44Å; S767-L789 WeakPolarHBondContact CB-O 3.26Å; S767-L789 PolarHBondContact OG-O 3.25Å | ||
| 768 | P | 92.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | trans | -66 | 154.6 | 175.2 | 29.5 | -34.1 | 0 | 0 | 0 | 110.4 | L725 L731 M737 L787 L789 | L725-P768 HydrophobicContact CD1-CB 4.25Å; L731-P768 HydrophobicContact CD2-CB 3.76Å; M737-P768 HydrophobicContact CE-CB 4.12Å; M737-P768 HydrophobicContact CE-CG 3.75Å; M737-P768 HydrophobicContact SD-CB 3.87Å; M737-P768 HydrophobicContact SD-CG 3.8Å; P768-L787 HydrophobicContact CG-CB 4.28Å; P768-L787 HydrophobicContact CG-CD1 4.33Å; P768-L787 WeakPolarHBondContact O-CB 3.3Å; P768-L787 PolarHBondContact O-N 2.75Å; P768-L789 HydrophobicContact CG-CB 4.21Å; P768-L789 HydrophobicContact CG-CD2 3.84Å | ||
| 769 | S | 91.8 | Very high | 92 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 157 | -179.9 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | L725 V726 H784 L785 | L725-S769 WeakPolarHBondContact CD1-O 3.42Å; V726-S769 PolarHBondContact N-O 3.33Å; V726-S769 PolarHBondContact O-N 3.07Å; S769-H784 VanDerWaalsContact CB-NE2 3.27Å; S769-H784 WeakPolarHBondContact CB-NE2 3.41Å; S769-L785 CarbonylContact C-O 3.58Å; S769-L785 WeakPolarHBondContact CA-O 3.48Å |
| 770 | L | 92.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 119.8 | -178.7 | -172.2 | 75.6 | 0 | 0 | 0 | 107.9 | V708 Y710 S723 L772 H784 L785 L787 | V708-L770 HydrophobicContact CG1-CD2 4.12Å; Y710-L770 HydrophobicContact CE1-CD2 4.05Å; Y710-L770 WeakPolarHBondContact OH-CD2 3.22Å; S723-L770 VanDerWaalsContact OG-CD1 3.28Å; S723-L770 WeakPolarHBondContact OG-CD1 3.38Å; L770-L772 HydrophobicContact CD2-CD1 4.1Å; L770-L772 HydrophobicContact CD2-CD2 3.79Å; L770-L772 HydrophobicContact CD2-CG 3.96Å; L770-L772 HydrophobicContact CG-CD2 3.89Å; L770-L772 HydrophobicContact CG-CG 4.11Å; L770-H784 WeakPolarHBondContact O-CA 3.31Å; L770-L785 HydrophobicContact CB-CB 4.47Å; L770-L785 PolarHBondContact N-O 3Å; L770-L785 PolarHBondContact O-N 3.31Å; L770-L787 HydrophobicContact CB-CD1 4.48Å; L770-L787 HydrophobicContact CB-CD2 3.83Å; L770-L787 HydrophobicContact CB-CG 4.01Å; L770-L787 HydrophobicContact CD2-CD2 4.02Å; L770-L787 HydrophobicContact CG-CD2 4.38Å |
| 771 | D | 93 | Very high | 91.5 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 109.1 | 177.3 | -173.5 | 23 | 0 | 0 | 0 | 108.7 | R724 V726 R782 | R724-D771 HydrophobicContact CB-CB 4.46Å; R724-D771 PolarHBondContact N-O 3.09Å; R724-D771 PolarHBondContact O-N 3.04Å; V726-D771 HydrophobicContact CG2-CB 3.8Å; D771-R782 WeakPolarHBondContact OD1-CG 3.29Å; D771-R782 IonicContact OD1-CZ 3.07Å; D771-R782 IonicContact OD1-NE 2.68Å; D771-R782 PolarHBondContact OD1-NE 3.36Å; D771-R782 IonicContact OD1-NH2 2.68Å; D771-R782 IonicContact OD2-CZ 2.64Å; D771-R782 IonicContact OD2-NE 2.91Å; D771-R782 PolarHBondContact OD2-NE 3.37Å; D771-R782 IonicContact OD2-NH2 3.63Å; D771-R782 PolarHBondContact OD2-NH2 2.84Å |
| 772 | L | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137 | -179.3 | -61.3 | 179.2 | 0 | 0 | 0 | 109.5 | L691 V693 Y710 F721 S722 L770 R782 L783 L785 | L691-L772 HydrophobicContact CD2-CD1 4.43Å; V693-L772 HydrophobicContact CG2-CD1 3.94Å; Y710-L772 HydrophobicContact CD1-CD1 4.01Å; Y710-L772 HydrophobicContact CD1-CD2 4.35Å; Y710-L772 HydrophobicContact CE1-CD1 3.65Å; Y710-L772 HydrophobicContact CE1-CD2 3.56Å; Y710-L772 HydrophobicContact CE1-CG 4.25Å; F721-L772 HydrophobicContact CZ-CD2 4.3Å; S722-L772 CarbonylContact O-C 3.49Å; S722-L772 WeakPolarHBondContact O-CA 3.39Å; L770-L772 HydrophobicContact CD2-CD1 4.1Å; L770-L772 HydrophobicContact CD2-CD2 3.79Å; L770-L772 HydrophobicContact CD2-CG 3.96Å; L770-L772 HydrophobicContact CG-CD2 3.89Å; L770-L772 HydrophobicContact CG-CG 4.11Å; L772-R782 CarbonylContact O-C 3.58Å; L772-R782 WeakPolarHBondContact O-CA 3.37Å; L772-R782 WeakPolarHBondContact O-CG 3.43Å; L772-L783 HydrophobicContact CB-CB 4.28Å; L772-L783 HydrophobicContact CD1-CD2 4.34Å; L772-L783 PolarHBondContact N-O 3.46Å; L772-L783 PolarHBondContact O-N 2.86Å; L772-L785 HydrophobicContact CD1-CD1 4.16Å |
| 773 | Q | 94.1 | Very high | 91.2 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 23% | 0.229 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 134.6 | 175.3 | -165.3 | -173.1 | -3.3 | 0 | 0 | 109.7 | F721 S722 M780 R781 | F721-Q773 CarbonylContact C-O 3.55Å; F721-Q773 WeakPolarHBondContact CA-O 3.47Å; S722-Q773 PolarHBondContact N-O 3.12Å; S722-Q773 PolarHBondContact O-N 3.11Å; Q773-M780 HydrophobicContact CG-CE 3.67Å; Q773-M780 HydrophobicContact CG-CG 4.18Å; Q773-M780 HydrophobicContact CG-SD 3.95Å; Q773-R781 CarbonylContact C-O 3.45Å; Q773-R781 VanDerWaalsContact CA-O 3.28Å; Q773-R781 WeakPolarHBondContact CA-O 3.37Å |
| 774 | F | 94.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 151.2 | 178.7 | 63.4 | -82.8 | 0 | 0 | 0 | 112.1 | I690 L691 F718 F721 C776 M780 R781 | I690-F774 HydrophobicContact CG2-CE2 4.17Å; L691-F774 HydrophobicContact CB-CZ 4.25Å; L691-F774 HydrophobicContact CD2-CE1 3.79Å; L691-F774 HydrophobicContact CD2-CZ 4.09Å; F718-F774 HydrophobicContact CB-CB 4.26Å; F718-F774 HydrophobicContact CB-CD2 4.19Å; F718-F774 AromaticContact CD1-CD2 3.66Å; F718-F774 HydrophobicContact CD1-CD2 3.66Å; F718-F774 AromaticContact CD1-CE2 3.9Å; F718-F774 HydrophobicContact CD1-CE2 3.9Å; F718-F774 AromaticContact CD2-CD2 3.99Å; F718-F774 HydrophobicContact CD2-CD2 3.99Å; F718-F774 HydrophobicContact CD2-CE2 4.34Å; F718-F774 HydrophobicContact CD2-CG 4.4Å; F718-F774 AromaticContact CE1-CD2 3.95Å; F718-F774 HydrophobicContact CE1-CD2 3.95Å; F718-F774 AromaticContact CE1-CE2 3.68Å; F718-F774 HydrophobicContact CE1-CE2 3.68Å; F718-F774 HydrophobicContact CE2-CD2 4.28Å; F718-F774 HydrophobicContact CE2-CE2 4.16Å; F718-F774 AromaticContact CG-CD2 3.68Å; F718-F774 HydrophobicContact CG-CD2 3.68Å; F718-F774 HydrophobicContact CG-CE2 4.22Å; F718-F774 HydrophobicContact CG-CG 4.32Å; F718-F774 HydrophobicContact CZ-CD2 4.24Å; F718-F774 AromaticContact CZ-CE2 3.81Å; F718-F774 HydrophobicContact CZ-CE2 3.81Å; F718-F774 HydrophobicContact CZ-CZ 4.42Å; F721-F774 HydrophobicContact CB-CB 4.39Å; F721-F774 HydrophobicContact CD2-CB 3.7Å; F721-F774 HydrophobicContact CD2-CD1 4.5Å; F721-F774 HydrophobicContact CD2-CG 4.26Å; F721-F774 HydrophobicContact CE2-CB 4.46Å; F721-F774 HydrophobicContact CE2-CD1 4.47Å; F721-F774 HydrophobicContact CG-CB 4.46Å; F774-C776 HydrophobicContact CD2-CB 4.08Å; F774-C776 HydrophobicContact CE2-CB 4.02Å; F774-M780 VanDerWaalsContact O-SD 3.4Å; F774-R781 HydrophobicContact CD1-CB 4.39Å; F774-R781 HydrophobicContact CE1-CB 3.95Å; F774-R781 HydrophobicContact CE2-CB 4.13Å; F774-R781 HydrophobicContact CE2-CG 4.46Å; F774-R781 HydrophobicContact CZ-CB 3.82Å; F774-R781 HydrophobicContact CZ-CG 4.41Å; F774-R781 PolarHBondContact N-O 3.33Å; F774-R781 PolarHBondContact O-N 3.36Å |
| 775 | M | 93.3 | Very high | 91 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 27% | 0.271 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.7 | 174.4 | -167.9 | -177.7 | -62.4 | 0 | 0 | 110.2 | F718 A719 I779 M780 | F718-M775 WeakPolarHBondContact CA-O 3.35Å; A719-M775 HydrophobicContact CB-CB 4.45Å; A719-M775 PolarHBondContact N-O 3.46Å; A719-M775 PolarHBondContact O-N 3.3Å; M775-I779 WeakPolarHBondContact CA-O 3.32Å; M775-M780 HydrophobicContact CB-SD 3.95Å |
| 776 | C | 90.4 | Very high | 91 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 128.9 | 177.4 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | S716 F718 F774 G778 I779 | S716-C776 PolarHBondContact OG-SG 3.02Å; F718-C776 HydrophobicContact CD1-CB 3.73Å; F718-C776 HydrophobicContact CE1-CB 3.9Å; F774-C776 HydrophobicContact CD2-CB 4.08Å; F774-C776 HydrophobicContact CE2-CB 4.02Å; C776-G778 PolarHBondContact O-N 2.88Å; C776-I779 PolarHBondContact N-O 3.37Å; C776-I779 PolarHBondContact O-N 3.09Å |
| 777 | N | 88 | Confident | 91.2 | Very high | 110 Ų | 110 | 32.3 Ų | 32.3 | 59% | 0.588 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 39.5 | -175.2 | -64.6 | -38.6 | 0 | 0 | 0 | 113.8 | S716 I779 | S716-N777 WeakPolarHBondContact CB-OD1 3.34Å; S716-N777 PolarHBondContact OG-OD1 3.07Å; S716-N777 VanDerWaalsContact OG-OD1 3.04Å; N777-I779 VanDerWaalsContact C-N 3.25Å; N777-I779 PolarHBondContact O-N 3.18Å |
| 778 | G | 83.1 | Confident | 91.2 | Very high | 57 Ų | 57 | 31.7 Ų | 31.7 | 59% | 0.588 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -0.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C776 | C776-G778 PolarHBondContact O-N 2.88Š|
| 779 | I | 88 | Confident | 91.2 | Very high | 62 Ų | 62 | 31.7 Ų | 31.7 | 32% | 0.318 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.9 | -179.5 | -57.7 | 174.2 | 0 | 0 | 0 | 109.2 | V665 M775 C776 N777 R781 | V665-I779 HydrophobicContact CB-CG2 4.33Å; V665-I779 VanDerWaalsContact O-CG2 3.3Å; V665-I779 WeakPolarHBondContact O-CG2 3.39Å; M775-I779 WeakPolarHBondContact CA-O 3.32Å; C776-I779 PolarHBondContact N-O 3.37Å; C776-I779 PolarHBondContact O-N 3.09Å; N777-I779 VanDerWaalsContact C-N 3.25Å; N777-I779 PolarHBondContact O-N 3.18Å; I779-R781 HydrophobicContact CG2-CG 4.39Å |
| 780 | M | 89.9 | Confident | 91.2 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 9% | 0.094 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 122.1 | 173.9 | -168.3 | 60.1 | 137.9 | 0 | 0 | 110.1 | T664 C666 E720 Q773 F774 M775 | T664-M780 HydrophobicContact CG2-CB 3.3Å; C666-M780 WeakPolarHBondContact CA-O 3.37Å; E720-M780 HydrophobicContact CB-CE 4.03Å; E720-M780 VanDerWaalsContact OE2-CE 3.27Å; E720-M780 WeakPolarHBondContact OE2-CE 3.44Å; Q773-M780 HydrophobicContact CG-CE 3.67Å; Q773-M780 HydrophobicContact CG-CG 4.18Å; Q773-M780 HydrophobicContact CG-SD 3.95Å; F774-M780 VanDerWaalsContact O-SD 3.4Å; M775-M780 HydrophobicContact CB-SD 3.95Å |
| 781 | R | 91.5 | Very high | 91.2 | Very high | 56 Ų | 56 | 31.8 Ų | 31.8 | 21% | 0.211 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 143.2 | -179.9 | -65.9 | 179.1 | 174.8 | -111.4 | -5.2 | 109.7 | Q773 F774 I779 | Q773-R781 CarbonylContact C-O 3.45Å; Q773-R781 VanDerWaalsContact CA-O 3.28Å; Q773-R781 WeakPolarHBondContact CA-O 3.37Å; F774-R781 HydrophobicContact CD1-CB 4.39Å; F774-R781 HydrophobicContact CE1-CB 3.95Å; F774-R781 HydrophobicContact CE2-CB 4.13Å; F774-R781 HydrophobicContact CE2-CG 4.46Å; F774-R781 HydrophobicContact CZ-CB 3.82Å; F774-R781 HydrophobicContact CZ-CG 4.41Å; F774-R781 PolarHBondContact N-O 3.33Å; F774-R781 PolarHBondContact O-N 3.36Å; I779-R781 HydrophobicContact CG2-CG 4.39Å |
| 782 | R | 92.2 | Very high | 91.1 | Very high | 101 Ų | 101 | 32.7 Ų | 32.7 | 38% | 0.381 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.5 | 174.2 | -166.8 | 175.4 | -177.7 | 177.1 | -2.1 | 110.3 | I667 T668 V669 D771 L772 | I667-R782 CarbonylContact O-C 3.53Å; I667-R782 PolarHBondContact O-N 2.99Å; T668-R782 WeakPolarHBondContact CA-O 3.15Å; V669-R782 PolarHBondContact N-O 2.95Å; D771-R782 WeakPolarHBondContact OD1-CG 3.29Å; D771-R782 IonicContact OD1-CZ 3.07Å; D771-R782 IonicContact OD1-NE 2.68Å; D771-R782 PolarHBondContact OD1-NE 3.36Å; D771-R782 IonicContact OD1-NH2 2.68Å; D771-R782 IonicContact OD2-CZ 2.64Å; D771-R782 IonicContact OD2-NE 2.91Å; D771-R782 PolarHBondContact OD2-NE 3.37Å; D771-R782 IonicContact OD2-NH2 3.63Å; D771-R782 PolarHBondContact OD2-NH2 2.84Å; L772-R782 CarbonylContact O-C 3.58Å; L772-R782 WeakPolarHBondContact O-CA 3.37Å; L772-R782 WeakPolarHBondContact O-CG 3.43Å |
| 783 | L | 91.2 | Very high | 90.9 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.1 | -176.1 | 179.3 | 67.5 | 0 | 0 | 0 | 109.1 | V669 L671 Y686 L691 V693 L772 L785 | V669-L783 HydrophobicContact CB-CD1 3.57Å; V669-L783 HydrophobicContact CG1-CD1 3.77Å; L671-L783 HydrophobicContact CD1-CD1 4.41Å; Y686-L783 HydrophobicContact CD1-CD2 3.47Å; Y686-L783 VanDerWaalsContact CD1-CD2 3.47Å; Y686-L783 HydrophobicContact CE1-CD1 4.49Å; Y686-L783 HydrophobicContact CE1-CD2 3.68Å; Y686-L783 HydrophobicContact CE2-CD1 4.34Å; Y686-L783 HydrophobicContact CG-CD2 3.93Å; L691-L783 HydrophobicContact CD2-CD2 3.91Å; V693-L783 HydrophobicContact CG2-CD2 4.47Å; L772-L783 HydrophobicContact CB-CB 4.28Å; L772-L783 HydrophobicContact CD1-CD2 4.34Å; L772-L783 PolarHBondContact N-O 3.46Å; L772-L783 PolarHBondContact O-N 2.86Å; L783-L785 HydrophobicContact CD1-CD2 3.84Å; L783-L785 HydrophobicContact CD1-CG 4.45Å; L783-L785 HydrophobicContact CD2-CD1 3.82Å; L783-L785 HydrophobicContact CD2-CD2 3.88Å; L783-L785 HydrophobicContact CD2-CG 3.92Å; L783-L785 HydrophobicContact CG-CD1 4.25Å; L783-L785 HydrophobicContact CG-CD2 3.72Å; L783-L785 HydrophobicContact CG-CG 3.79Å |
| 784 | H | 89.9 | Confident | 90.9 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 22% | 0.218 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 107.5 | 178.4 | -162.9 | 77.6 | 0 | 0 | 0 | 109.8 | V669 V670 L671 S769 L770 | V669-H784 PolarHBondContact O-N 3.24Å; V670-H784 WeakPolarHBondContact CA-O 3.49Å; V670-H784 HydrophobicContact CG2-CB 4.25Å; L671-H784 PolarHBondContact N-O 3.33Å; S769-H784 VanDerWaalsContact CB-NE2 3.27Å; S769-H784 WeakPolarHBondContact CB-NE2 3.41Å; L770-H784 WeakPolarHBondContact O-CA 3.31Å |
| 785 | L | 91.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.8 | -177.2 | -57.7 | 178.2 | 0 | 0 | 0 | 110.2 | L671 L685 Y686 V693 S769 L770 L772 L783 | L671-L785 HydrophobicContact CB-CD2 3.96Å; L671-L785 HydrophobicContact CD1-CD2 3.71Å; L671-L785 HydrophobicContact CG-CD2 4.28Å; L685-L785 HydrophobicContact CD2-CB 4.11Å; L685-L785 HydrophobicContact CD2-CD1 4.04Å; L685-L785 HydrophobicContact CG-CD1 4.44Å; Y686-L785 HydrophobicContact CG-CD2 4.39Å; V693-L785 HydrophobicContact CB-CD1 4.01Å; V693-L785 HydrophobicContact CG1-CD1 3.91Å; V693-L785 HydrophobicContact CG2-CD1 3.86Å; S769-L785 CarbonylContact C-O 3.58Å; S769-L785 WeakPolarHBondContact CA-O 3.48Å; L770-L785 HydrophobicContact CB-CB 4.47Å; L770-L785 PolarHBondContact N-O 3Å; L770-L785 PolarHBondContact O-N 3.31Å; L772-L785 HydrophobicContact CD1-CD1 4.16Å; L783-L785 HydrophobicContact CD1-CD2 3.84Å; L783-L785 HydrophobicContact CD1-CG 4.45Å; L783-L785 HydrophobicContact CD2-CD1 3.82Å; L783-L785 HydrophobicContact CD2-CD2 3.88Å; L783-L785 HydrophobicContact CD2-CG 3.92Å; L783-L785 HydrophobicContact CG-CD1 4.25Å; L783-L785 HydrophobicContact CG-CD2 3.72Å; L783-L785 HydrophobicContact CG-CG 3.79Å |
| 786 | Q | 90.2 | Very high | 90.6 | Very high | 62 Ų | 62 | 33.7 Ų | 33.7 | 29% | 0.29 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 136.6 | 162.2 | -79.1 | -177.6 | -25.9 | 0 | 0 | 109.5 | L671 V673 | L671-Q786 PolarHBondContact O-N 3.36Å; V673-Q786 HydrophobicContact CB-CB 4.47Å; V673-Q786 HydrophobicContact CG2-CB 3.46Å; V673-Q786 VanDerWaalsContact CG2-CB 3.46Å; V673-Q786 WeakPolarHBondContact CG2-O 3.44Å |
| 787 | L | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -83.4 | 143.7 | 176.4 | -68.6 | 176.9 | 0 | 0 | 0 | 110.3 | L685 L706 V708 L725 M737 I756 S767 P768 L770 L789 | L685-L787 HydrophobicContact CD2-CD2 4.45Å; L706-L787 HydrophobicContact CD2-CB 4.1Å; L706-L787 HydrophobicContact CD2-CD1 3.96Å; L706-L787 HydrophobicContact CD2-CD2 3.95Å; L706-L787 HydrophobicContact CD2-CG 4.24Å; V708-L787 HydrophobicContact CG2-CD2 4.29Å; L725-L787 HydrophobicContact CD1-CD1 3.44Å; L725-L787 VanDerWaalsContact CD1-CD1 3.44Å; M737-L787 HydrophobicContact CE-CD1 4.41Å; I756-L787 HydrophobicContact CD1-CD1 3.95Å; S767-L787 WeakPolarHBondContact CB-O 3.44Å; P768-L787 HydrophobicContact CG-CB 4.28Å; P768-L787 HydrophobicContact CG-CD1 4.33Å; P768-L787 WeakPolarHBondContact O-CB 3.3Å; P768-L787 PolarHBondContact O-N 2.75Å; L770-L787 HydrophobicContact CB-CD1 4.48Å; L770-L787 HydrophobicContact CB-CD2 3.83Å; L770-L787 HydrophobicContact CB-CG 4.01Å; L770-L787 HydrophobicContact CD2-CD2 4.02Å; L770-L787 HydrophobicContact CG-CD2 4.38Å; L787-L789 PolarHBondContact O-N 2.93Å | ||
| 788 | P | 90.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -76.2 | 51.7 | -179.7 | 30.8 | -34.7 | 0 | 0 | 0 | 113.4 | V673 F677 V695 M697 L706 F790 | V673-P788 HydrophobicContact CG1-CB 3.9Å; F677-P788 HydrophobicContact CB-CB 3.48Å; F677-P788 VanDerWaalsContact CB-CB 3.48Å; F677-P788 HydrophobicContact CD1-CB 3.89Å; F677-P788 HydrophobicContact CD1-CG 4.15Å; F677-P788 HydrophobicContact CD2-CB 4.27Å; F677-P788 HydrophobicContact CG-CB 3.64Å; F677-P788 HydrophobicContact CG-CG 4.28Å; V695-P788 HydrophobicContact CB-CG 4.16Å; V695-P788 HydrophobicContact CG1-CG 4.21Å; V695-P788 HydrophobicContact CG2-CG 3.62Å; M697-P788 WeakPolarHBondContact CE-O 3.04Å; L706-P788 HydrophobicContact CD1-CG 4.47Å; P788-F790 HydrophobicContact CB-CE2 4.25Å |
| 789 | L | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -108.7 | 107.1 | 176.9 | -175.4 | 75.2 | 0 | 0 | 0 | 108.6 | M697 A704 L735 M737 V758 F764 S767 P768 L787 F794 | M697-L789 HydrophobicContact SD-CD1 3.84Å; A704-L789 HydrophobicContact CB-CD1 4.33Å; L735-L789 HydrophobicContact CD1-CD2 3.6Å; M737-L789 HydrophobicContact CE-CD2 4.3Å; M737-L789 HydrophobicContact SD-CD2 4.41Å; V758-L789 HydrophobicContact CG1-CD1 4.46Å; V758-L789 HydrophobicContact CG1-CD2 3.8Å; V758-L789 HydrophobicContact CG2-CD2 4.2Å; F764-L789 HydrophobicContact CZ-CG 4.24Å; S767-L789 WeakPolarHBondContact CB-O 3.26Å; S767-L789 PolarHBondContact OG-O 3.25Å; P768-L789 HydrophobicContact CG-CB 4.21Å; P768-L789 HydrophobicContact CG-CD2 3.84Å; L787-L789 PolarHBondContact O-N 2.93Å; L789-F794 HydrophobicContact CD1-CE2 4.05Å; L789-F794 HydrophobicContact CD1-CZ 4Å | ||
| 790 | F | 92.1 | Very high | 89.5 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | trans | -118.5 | 155.9 | -178.7 | -56.4 | -82.2 | 0 | 0 | 0 | 110.4 | V673 F677 L678 P788 C792 K793 L863 | V673-F790 HydrophobicContact CB-CZ 3.98Å; V673-F790 HydrophobicContact CG1-CE2 3.86Å; V673-F790 HydrophobicContact CG1-CZ 3.47Å; V673-F790 VanDerWaalsContact CG1-CZ 3.47Å; F677-F790 HydrophobicContact CB-CE2 4.15Å; L678-F790 HydrophobicContact CD2-CB 3.98Å; L678-F790 HydrophobicContact CD2-CD1 3.77Å; L678-F790 HydrophobicContact CD2-CD2 3.75Å; L678-F790 HydrophobicContact CD2-CE1 4.11Å; L678-F790 HydrophobicContact CD2-CE2 4.08Å; L678-F790 HydrophobicContact CD2-CG 3.57Å; L678-F790 HydrophobicContact CD2-CZ 4.23Å; L678-F790 HydrophobicContact CG-CD2 4.32Å; L678-F790 HydrophobicContact CG-CE2 4.22Å; L678-F790 HydrophobicContact CG-CZ 4.35Å; P788-F790 HydrophobicContact CB-CE2 4.25Å; F790-C792 VanDerWaalsContact CB-SG 3.59Å; F790-C792 PolarHBondContact O-N 2.97Å; F790-K793 HydrophobicContact CB-CG 4.23Å; F790-K793 VanDerWaalsContact O-CB 3.24Å; F790-K793 WeakPolarHBondContact O-CB 3.17Å; F790-K793 WeakPolarHBondContact O-CG 3.18Å; F790-K793 PolarHBondContact O-N 3.24Å; F790-L863 HydrophobicContact CD1-CD1 4.36Å; F790-L863 HydrophobicContact CD1-CD2 4.34Å; F790-L863 HydrophobicContact CE1-CD2 4.41Å | ||
| 791 | L | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -58.4 | -34.5 | 179.1 | -176.3 | 61.7 | 0 | 0 | 0 | 112.5 | D763 F764 K793 F794 I823 V856 | D763-L791 HydrophobicContact CB-CD1 4.27Å; D763-L791 HydrophobicContact CB-CD2 3.91Å; F764-L791 HydrophobicContact CD1-CD1 3.9Å; F764-L791 HydrophobicContact CE1-CB 4.21Å; F764-L791 HydrophobicContact CE1-CD1 3.85Å; F764-L791 HydrophobicContact CZ-CB 4.33Å; L791-K793 PolarHBondContact O-N 3.44Å; L791-K793 VanDerWaalsContact O-N 3.12Å; L791-F794 PolarHBondContact O-N 3.5Å; L791-I823 HydrophobicContact CD1-CG2 3.9Å; L791-I823 HydrophobicContact CG-CD1 4.35Å; L791-I823 HydrophobicContact CG-CG2 4.17Å; L791-V856 HydrophobicContact CD2-CG1 3.94Å; L791-V856 HydrophobicContact CD2-CG2 4.02Å |
| 792 | C | 90.1 | Very high | 88.3 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 22% | 0.223 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -61.7 | -17.3 | 176.7 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | F790 F794 F795 L860 | F790-C792 VanDerWaalsContact CB-SG 3.59Å; F790-C792 PolarHBondContact O-N 2.97Å; C792-F794 PolarHBondContact O-N 3.41Å; C792-F795 WeakPolarHBondContact O-CB 3.5Å; C792-F795 PolarHBondContact O-N 3.43Å; C792-L860 HydrophobicContact CB-CD2 3.78Å |
| 793 | K | 92.1 | Very high | 87.6 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -71.3 | -14.8 | 178.4 | -60 | -61.4 | -163.2 | 171 | 0 | 113.3 | F677 L678 K680 M697 S699 F790 L791 | F677-K793 WeakPolarHBondContact O-CE 3.48Å; F677-K793 PolarHBondContact O-NZ 2.85Å; L678-K793 VanDerWaalsContact O-CE 3.28Å; L678-K793 WeakPolarHBondContact O-CE 3.17Å; L678-K793 PolarHBondContact O-NZ 2.89Å; K680-K793 PolarHBondContact O-NZ 3.38Å; M697-K793 HydrophobicContact CE-CB 3.96Å; M697-K793 HydrophobicContact CE-CD 3.32Å; M697-K793 HydrophobicContact CE-CG 3.39Å; M697-K793 HydrophobicContact SD-CB 4.37Å; M697-K793 HydrophobicContact SD-CG 4.28Å; S699-K793 WeakPolarHBondContact CB-O 3.35Å; S699-K793 PolarHBondContact OG-O 3.27Å; F790-K793 HydrophobicContact CB-CG 4.23Å; F790-K793 VanDerWaalsContact O-CB 3.24Å; F790-K793 WeakPolarHBondContact O-CB 3.17Å; F790-K793 WeakPolarHBondContact O-CG 3.18Å; F790-K793 PolarHBondContact O-N 3.24Å; L791-K793 PolarHBondContact O-N 3.44Å; L791-K793 VanDerWaalsContact O-N 3.12Å |
| 794 | F | 94.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -98.5 | 16.7 | 175.2 | -57.4 | -84.5 | 0 | 0 | 0 | 112.4 | K701 A704 V758 C760 F764 L789 L791 C792 I823 H824 | K701-F794 WeakPolarHBondContact O-CD1 3.48Å; A704-F794 HydrophobicContact CB-CE1 3.65Å; A704-F794 HydrophobicContact CB-CZ 3.81Å; V758-F794 HydrophobicContact CG1-CZ 4.09Å; C760-F794 HydrophobicContact CB-CD1 3.69Å; C760-F794 HydrophobicContact CB-CD2 4.03Å; C760-F794 HydrophobicContact CB-CE1 3.55Å; C760-F794 HydrophobicContact CB-CE2 3.92Å; C760-F794 HydrophobicContact CB-CG 3.91Å; C760-F794 HydrophobicContact CB-CZ 3.67Å; F764-F794 AromaticContact CE1-CD2 4Å; F764-F794 HydrophobicContact CE1-CD2 4Å; F764-F794 AromaticContact CE1-CE2 3.66Å; F764-F794 HydrophobicContact CE1-CE2 3.66Å; F764-F794 HydrophobicContact CZ-CD2 4.35Å; F764-F794 AromaticContact CZ-CE2 3.83Å; F764-F794 HydrophobicContact CZ-CE2 3.83Å; L789-F794 HydrophobicContact CD1-CE2 4.05Å; L789-F794 HydrophobicContact CD1-CZ 4Å; L791-F794 PolarHBondContact O-N 3.5Å; C792-F794 PolarHBondContact O-N 3.41Å; F794-I823 HydrophobicContact CB-CG2 4.26Å; F794-I823 WeakPolarHBondContact O-CA 3.31Å; F794-H824 PolarHBondContact O-N 3.47Å |
| 795 | F | 91.3 | Very high | 86.2 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 124 | 176.4 | -175.1 | -81.2 | 0 | 0 | 0 | 110.9 | C792 I822 I823 C832 | C792-F795 WeakPolarHBondContact O-CB 3.5Å; C792-F795 PolarHBondContact O-N 3.43Å; F795-I822 CarbonylContact C-O 3.58Å; F795-I822 WeakPolarHBondContact CA-O 3.3Å; F795-I823 HydrophobicContact CB-CG1 4.03Å; F795-I823 HydrophobicContact CD2-CD1 4.45Å; F795-I823 HydrophobicContact CD2-CG1 3.85Å; F795-I823 HydrophobicContact CG-CG1 4.4Å; F795-C832 HydrophobicContact CD2-CB 4.29Å; F795-C832 HydrophobicContact CE2-CB 3.71Å |
| 796 | E | 89.1 | Confident | 85.4 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 28% | 0.28 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.5 | 165.8 | -72.4 | -174.7 | 171.7 | 0 | 0 | 109.4 | K701 G821 I822 H824 | K701-E796 VanDerWaalsContact CG-OE1 3.26Å; K701-E796 WeakPolarHBondContact CG-OE1 3.49Å; K701-E796 PolarHBondContact N-OE1 2.86Å; E796-G821 CarbonylContact O-C 3.56Å; E796-G821 WeakPolarHBondContact O-CA 3.32Å; E796-I822 PolarHBondContact N-O 2.93Å; E796-I822 PolarHBondContact O-N 3.25Å; E796-H824 IonicContact OE2-CD2 2.67Å; E796-H824 IonicContact OE2-NE2 2.74Å; E796-H824 PolarHBondContact OE2-NE2 3.32Å |
| 797 | P | 87.8 | Confident | 84.8 | Confident | 100 Ų | 100 | 65.8 Ų | 65.8 | 65% | 0.649 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 141.9 | 172.7 | -23.2 | 33.2 | 0 | 0 | 0 | 111.3 | E799 | P797-E799 PolarHBondContact O-N 2.83Å |
| 798 | A | 82 | Confident | 83.7 | Confident | 50 Ų | 50 | 73.3 Ų | 73.3 | 41% | 0.413 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 121 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | A820 | A798-A820 HydrophobicContact CB-CB 4.28Å; A798-A820 PolarHBondContact N-O 3.45Å |
| 799 | E | 79.7 | Confident | 82.7 | Confident | 199 Ų | 199 | 79.3 Ų | 79.3 | 93% | 0.93 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 132.2 | 172.8 | -69.1 | -173.9 | 173.2 | 0 | 0 | 110.3 | P797 | P797-E799 PolarHBondContact O-N 2.83Š|
| 800 | M | 77.2 | Confident | 81.8 | Confident | 84 Ų | 84 | 85.4 Ų | 85.4 | 41% | 0.414 | 43% | 0.428 | S | S | . | . | trans | -137.9 | 135.1 | 178.5 | -172.5 | 176.8 | -64.9 | 0 | 0 | 109.8 | Q804 F805 | M800-Q804 HydrophobicContact CG-CB 3.66Å; M800-Q804 VanDerWaalsContact SD-C 3.52Å; M800-Q804 HydrophobicContact SD-CB 3.84Å; M800-F805 HydrophobicContact CG-CB 4.31Å; M800-F805 WeakPolarHBondContact SD-CA 3.3Å; M800-F805 HydrophobicContact SD-CB 4.09Å; M800-F805 PolarHBondContact SD-N 3.07Å; M800-F805 VanDerWaalsContact SD-N 3.38Å | ||
| 801 | P | 81 | Confident | 80.9 | Confident | 80 Ų | 80 | 91.2 Ų | 91.2 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | trans | -56.6 | 142.9 | 171.2 | -22.9 | 33.1 | 0 | 0 | 0 | 111.3 | E803 Q804 F805 | P801-E803 VanDerWaalsContact C-N 3.27Å; P801-E803 PolarHBondContact O-N 2.87Å; P801-Q804 PolarHBondContact O-N 3.16Å; P801-F805 PolarHBondContact O-N 3.09Å | ||
| 802 | S | 74.6 | Confident | 79.7 | Confident | 82 Ų | 82 | 93.2 Ų | 93.2 | 57% | 0.573 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -52.5 | -42.9 | -176.9 | 53.6 | 0 | 0 | 0 | 0 | 113 | Q804 F805 F806 | S802-Q804 PolarHBondContact O-N 3.2Å; S802-F805 WeakPolarHBondContact O-CB 3.47Å; S802-F805 PolarHBondContact O-N 3Å; S802-F806 WeakPolarHBondContact O-CD2 3.33Å; S802-F806 PolarHBondContact O-N 3.14Å |
| 803 | E | 78.3 | Confident | 78.7 | Confident | 160 Ų | 160 | 95.3 Ų | 95.3 | 75% | 0.748 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.8 | -48.6 | 177.9 | -67 | -179.4 | 179.5 | 0 | 0 | 112.2 | P801 F805 F806 L807 | P801-E803 VanDerWaalsContact C-N 3.27Å; P801-E803 PolarHBondContact O-N 2.87Å; E803-F805 VanDerWaalsContact C-N 3.35Å; E803-F806 PolarHBondContact O-N 3.06Å; E803-L807 WeakPolarHBondContact O-CB 3.42Å; E803-L807 PolarHBondContact O-N 2.96Å |
| 804 | Q | 76.2 | Confident | 77.5 | Confident | 116 Ų | 116 | 101.4 Ų | 101.4 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 177.8 | -69.4 | -178.7 | 8.2 | 0 | 0 | 111.6 | M800 P801 S802 L807 R808 | M800-Q804 HydrophobicContact CG-CB 3.66Å; M800-Q804 VanDerWaalsContact SD-C 3.52Å; M800-Q804 HydrophobicContact SD-CB 3.84Å; P801-Q804 PolarHBondContact O-N 3.16Å; S802-Q804 PolarHBondContact O-N 3.2Å; Q804-L807 PolarHBondContact O-N 3.06Å; Q804-R808 WeakPolarHBondContact O-CB 3.39Å; Q804-R808 PolarHBondContact O-N 3.26Å |
| 805 | F | 75.3 | Confident | 76.4 | Confident | 92 Ų | 92 | 106.4 Ų | 106.4 | 40% | 0.404 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60 | -50.6 | 176.2 | 174.8 | -92.5 | 0 | 0 | 0 | 110.8 | M800 P801 S802 E803 L807 R808 W809 | M800-F805 HydrophobicContact CG-CB 4.31Å; M800-F805 WeakPolarHBondContact SD-CA 3.3Å; M800-F805 HydrophobicContact SD-CB 4.09Å; M800-F805 PolarHBondContact SD-N 3.07Å; M800-F805 VanDerWaalsContact SD-N 3.38Å; P801-F805 PolarHBondContact O-N 3.09Å; S802-F805 WeakPolarHBondContact O-CB 3.47Å; S802-F805 PolarHBondContact O-N 3Å; E803-F805 VanDerWaalsContact C-N 3.35Å; F805-L807 PolarHBondContact O-N 3.48Å; F805-R808 CarbonylContact O-C 3.57Å; F805-R808 WeakPolarHBondContact O-CB 3.34Å; F805-R808 PolarHBondContact O-N 2.85Å; F805-W809 HydrophobicContact CE1-CB 4.29Å; F805-W809 HydrophobicContact CE1-CD2 4.4Å; F805-W809 HydrophobicContact CE1-CE3 4.31Å; F805-W809 HydrophobicContact CE1-CG 4.4Å; F805-W809 HydrophobicContact CE2-CE3 4.37Å; F805-W809 HydrophobicContact CZ-CD2 4.25Å; F805-W809 AromaticContact CZ-CE3 3.72Å; F805-W809 HydrophobicContact CZ-CE3 3.72Å; F805-W809 HydrophobicContact CZ-CZ3 4.3Å; F805-W809 VanDerWaalsContact O-CB 3.26Å; F805-W809 WeakPolarHBondContact O-CB 3.31Å; F805-W809 PolarHBondContact O-N 3.35Å |
| 806 | F | 73.6 | Confident | 75.8 | Confident | 117 Ų | 117 | 104.3 Ų | 104.3 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.8 | -36.2 | 179.9 | -74.4 | -64.4 | 0 | 0 | 0 | 112.8 | S802 E803 R808 W809 N810 | S802-F806 WeakPolarHBondContact O-CD2 3.33Å; S802-F806 PolarHBondContact O-N 3.14Å; E803-F806 PolarHBondContact O-N 3.06Å; F806-R808 VanDerWaalsContact C-N 3.27Å; F806-R808 PolarHBondContact O-N 3.36Å; F806-W809 PolarHBondContact O-N 3.47Å; F806-N810 WeakPolarHBondContact O-CB 3.32Å; F806-N810 PolarHBondContact O-N 3.48Å; F806-N810 PolarHBondContact O-ND2 3.37Å |
| 807 | L | 77.2 | Confident | 75.4 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.7 | -40.6 | 173.1 | -126.6 | 146.8 | 0 | 0 | 0 | 111.5 | E803 Q804 F805 Q811 | E803-L807 WeakPolarHBondContact O-CB 3.42Å; E803-L807 PolarHBondContact O-N 2.96Å; Q804-L807 PolarHBondContact O-N 3.06Å; F805-L807 PolarHBondContact O-N 3.48Å; L807-Q811 WeakPolarHBondContact O-CG 3.35Å |
| 808 | R | 70.1 | Confident | 75.2 | Confident | 159 Ų | 159 | 103.9 Ų | 103.9 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.1 | -43.6 | 175.6 | -157.6 | 92.2 | 175.7 | -165.8 | 0.9 | 111.7 | Q804 F805 F806 N810 Q811 L812 | Q804-R808 WeakPolarHBondContact O-CB 3.39Å; Q804-R808 PolarHBondContact O-N 3.26Å; F805-R808 CarbonylContact O-C 3.57Å; F805-R808 WeakPolarHBondContact O-CB 3.34Å; F805-R808 PolarHBondContact O-N 2.85Å; F806-R808 VanDerWaalsContact C-N 3.27Å; F806-R808 PolarHBondContact O-N 3.36Å; R808-N810 VanDerWaalsContact C-N 3.33Å; R808-N810 PolarHBondContact O-N 3.27Å; R808-Q811 WeakPolarHBondContact O-CB 3.45Å; R808-Q811 PolarHBondContact O-N 3.23Å; R808-L812 PolarHBondContact O-N 2.86Å |
| 809 | W | 70.6 | Confident | 75.2 | Confident | 128 Ų | 128 | 103.3 Ų | 103.3 | 49% | 0.485 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | -178.8 | -175.9 | -96.4 | 0 | 0 | 0 | 111.4 | F805 F806 Q811 L812 | F805-W809 HydrophobicContact CE1-CB 4.29Å; F805-W809 HydrophobicContact CE1-CD2 4.4Å; F805-W809 HydrophobicContact CE1-CE3 4.31Å; F805-W809 HydrophobicContact CE1-CG 4.4Å; F805-W809 HydrophobicContact CE2-CE3 4.37Å; F805-W809 HydrophobicContact CZ-CD2 4.25Å; F805-W809 AromaticContact CZ-CE3 3.72Å; F805-W809 HydrophobicContact CZ-CE3 3.72Å; F805-W809 HydrophobicContact CZ-CZ3 4.3Å; F805-W809 VanDerWaalsContact O-CB 3.26Å; F805-W809 WeakPolarHBondContact O-CB 3.31Å; F805-W809 PolarHBondContact O-N 3.35Å; F806-W809 PolarHBondContact O-N 3.47Å; W809-Q811 PolarHBondContact O-N 3.4Å; W809-L812 HydrophobicContact CE3-CD1 4.03Å; W809-L812 WeakPolarHBondContact O-CB 3.48Å; W809-L812 PolarHBondContact O-N 3.23Å |
| 810 | N | 72.5 | Confident | 75.5 | Confident | 128 Ų | 128 | 95.9 Ų | 95.9 | 68% | 0.684 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.3 | 177.4 | -68 | -20.2 | 0 | 0 | 0 | 113.7 | F806 R808 | F806-N810 WeakPolarHBondContact O-CB 3.32Å; F806-N810 PolarHBondContact O-N 3.48Å; F806-N810 PolarHBondContact O-ND2 3.37Å; R808-N810 VanDerWaalsContact C-N 3.33Å; R808-N810 PolarHBondContact O-N 3.27Å |
| 811 | Q | 73.3 | Confident | 76.1 | Confident | 140 Ų | 140 | 92 Ų | 92 | 65% | 0.654 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -12 | 173.1 | -65.6 | 172.8 | -0.8 | 0 | 0 | 112.6 | L807 R808 W809 | L807-Q811 WeakPolarHBondContact O-CG 3.35Å; R808-Q811 WeakPolarHBondContact O-CB 3.45Å; R808-Q811 PolarHBondContact O-N 3.23Å; W809-Q811 PolarHBondContact O-N 3.4Å |
| 812 | L | 68.5 | Low | 76.6 | Confident | 42 Ų | 42 | 91 Ų | 91 | 22% | 0.22 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -84.8 | 136.7 | 178.6 | -59.8 | 168 | 0 | 0 | 0 | 109.6 | R808 W809 V818 | R808-L812 PolarHBondContact O-N 2.86Å; W809-L812 HydrophobicContact CE3-CD1 4.03Å; W809-L812 WeakPolarHBondContact O-CB 3.48Å; W809-L812 PolarHBondContact O-N 3.23Å; L812-V818 HydrophobicContact CD1-CB 4.42Å; L812-V818 HydrophobicContact CD1-CG1 4.31Å; L812-V818 HydrophobicContact CD1-CG2 3.28Å; L812-V818 HydrophobicContact CD2-CB 4.43Å; L812-V818 HydrophobicContact CD2-CG1 3.61Å; L812-V818 HydrophobicContact CD2-CG2 3.99Å; L812-V818 HydrophobicContact CG-CG2 4.28Å |
| 813 | T | 68.5 | Low | 77.6 | Confident | 76 Ų | 76 | 87 Ų | 87 | 47% | 0.466 | 44% | 0.441 | S | S | . | . | trans | -61 | 135.3 | 168.2 | -31.2 | 0 | 0 | 0 | 0 | 108.5 | E815 N816 | T813-E815 PolarHBondContact O-N 3.36Å; T813-N816 PolarHBondContact O-N 2.75Å; T813-N816 PolarHBondContact OG1-ND2 2.9Å | ||
| 814 | P | 65.6 | Low | 78.3 | Confident | 135 Ų | 135 | 80.4 Ų | 80.4 | 88% | 0.877 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -22.8 | -173.3 | -27.1 | 34.2 | 0 | 0 | 0 | 115.3 | ||
| 815 | E | 72.1 | Confident | 79.1 | Confident | 106 Ų | 106 | 75.3 Ų | 75.3 | 50% | 0.495 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -17.3 | -179.6 | -58.6 | -170.6 | 156.7 | 0 | 0 | 113.3 | T813 P838 | T813-E815 PolarHBondContact O-N 3.36Å; E815-P838 HydrophobicContact CB-CG 4.35Å; E815-P838 WeakPolarHBondContact O-CD 3.38Å; E815-P838 WeakPolarHBondContact O-CG 3.28Å |
| 816 | N | 78.8 | Confident | 79.8 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 10% | 0.096 | 39% | 0.393 | C | S | . | . | trans | -87.8 | 126.3 | -175.2 | -70 | -22.7 | 0 | 0 | 0 | 111.2 | T813 R835 L836 E837 | T813-N816 PolarHBondContact O-N 2.75Å; T813-N816 PolarHBondContact OG1-ND2 2.9Å; N816-R835 PolarHBondContact ND2-NH2 3.14Å; N816-R835 VanDerWaalsContact ND2-NH2 3.14Å; N816-L836 WeakPolarHBondContact CA-O 3.27Å; N816-E837 WeakPolarHBondContact OD1-CA 3.18Å; N816-E837 WeakPolarHBondContact OD1-CB 3.37Å; N816-E837 WeakPolarHBondContact OD1-CG 3.28Å | ||
| 817 | N | 81.3 | Confident | 80.5 | Confident | 91 Ų | 91 | 76.4 Ų | 76.4 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.8 | 172.2 | -63.2 | -74.7 | 0 | 0 | 0 | 109.3 | R835 L836 | N817-R835 CarbonylContact O-C 3.55Å; N817-R835 WeakPolarHBondContact O-CA 3.32Å; N817-L836 HydrophobicContact CB-CB 4.26Å; N817-L836 PolarHBondContact N-O 2.75Å; N817-L836 PolarHBondContact O-N 3.24Å |
| 818 | V | 82.2 | Confident | 81.1 | Confident | 60 Ų | 60 | 74 Ų | 74 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 145.2 | 175.3 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | L812 M834 R835 | L812-V818 HydrophobicContact CD1-CB 4.42Å; L812-V818 HydrophobicContact CD1-CG1 4.31Å; L812-V818 HydrophobicContact CD1-CG2 3.28Å; L812-V818 HydrophobicContact CD2-CB 4.43Å; L812-V818 HydrophobicContact CD2-CG1 3.61Å; L812-V818 HydrophobicContact CD2-CG2 3.99Å; L812-V818 HydrophobicContact CG-CG2 4.28Å; V818-M834 CarbonylContact C-O 3.56Å; V818-M834 VanDerWaalsContact CA-O 3.24Å; V818-M834 WeakPolarHBondContact CA-O 3.37Å; V818-R835 HydrophobicContact CG1-CB 4.15Å; V818-R835 HydrophobicContact CG1-CG 4.02Å |
| 819 | A | 83.2 | Confident | 82 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L833 M834 | A819-L833 CarbonylContact O-C 3.46Å; A819-L833 WeakPolarHBondContact O-CA 3.3Å; A819-M834 HydrophobicContact CB-CB 4.19Å; A819-M834 HydrophobicContact CB-CE 3.9Å; A819-M834 PolarHBondContact N-O 3.14Å; A819-M834 PolarHBondContact O-N 2.69Å |
| 820 | A | 85.1 | Confident | 83.1 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 35% | 0.347 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140.7 | 176 | 0 | 0 | 0 | 0 | 0 | 109.4 | A798 C832 L833 | A798-A820 HydrophobicContact CB-CB 4.28Å; A798-A820 PolarHBondContact N-O 3.45Å; A820-C832 WeakPolarHBondContact CA-O 3.37Å; A820-L833 HydrophobicContact CB-CD2 3.57Å |
| 821 | G | 89.9 | Confident | 83.9 | Confident | 4 Ų | 4 | 62 Ų | 62 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | -175.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E796 C832 | E796-G821 CarbonylContact O-C 3.56Å; E796-G821 WeakPolarHBondContact O-CA 3.32Å; G821-C832 PolarHBondContact N-O 3.32Å; G821-C832 PolarHBondContact O-N 2.96Å |
| 822 | I | 92.1 | Very high | 84.8 | Confident | 57 Ų | 57 | 55.5 Ų | 55.5 | 29% | 0.292 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126.3 | -173.1 | -59.2 | 175.2 | 0 | 0 | 0 | 108.3 | F795 E796 H824 Q829 | F795-I822 CarbonylContact C-O 3.58Å; F795-I822 WeakPolarHBondContact CA-O 3.3Å; E796-I822 PolarHBondContact N-O 2.93Å; E796-I822 PolarHBondContact O-N 3.25Å; I822-H824 PolarHBondContact O-CD2 2.85Å; I822-Q829 HydrophobicContact CG2-CB 3.75Å; I822-Q829 HydrophobicContact CG2-CG 4.21Å |
| 823 | I | 94.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.7 | 166.7 | -65.1 | 174.2 | 0 | 0 | 0 | 108.1 | L791 F794 F795 T825 I830 V856 L860 | L791-I823 HydrophobicContact CD1-CG2 3.9Å; L791-I823 HydrophobicContact CG-CD1 4.35Å; L791-I823 HydrophobicContact CG-CG2 4.17Å; F794-I823 HydrophobicContact CB-CG2 4.26Å; F794-I823 WeakPolarHBondContact O-CA 3.31Å; F795-I823 HydrophobicContact CB-CG1 4.03Å; F795-I823 HydrophobicContact CD2-CD1 4.45Å; F795-I823 HydrophobicContact CD2-CG1 3.85Å; F795-I823 HydrophobicContact CG-CG1 4.4Å; I823-T825 HydrophobicContact CG2-CG2 4.48Å; I823-I830 HydrophobicContact CB-CB 4.2Å; I823-I830 HydrophobicContact CG2-CD1 4.32Å; I823-I830 PolarHBondContact N-O 3.19Å; I823-I830 PolarHBondContact O-N 3.13Å; I823-V856 HydrophobicContact CD1-CG1 4.07Å; I823-L860 HydrophobicContact CD1-CD1 3.54Å |
| 824 | H | 93.2 | Very high | 86.5 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 9% | 0.093 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.8 | -178.6 | -69.4 | -87.6 | 0 | 0 | 0 | 110.7 | K701 N702 F794 E796 I822 | K701-H824 HydrophobicContact CB-CB 3.95Å; N702-H824 VanDerWaalsContact CA-O 3.3Å; N702-H824 WeakPolarHBondContact CA-O 3.43Å; N702-H824 HydrophobicContact CB-CB 4.22Å; N702-H824 VanDerWaalsContact CB-O 3.31Å; N702-H824 WeakPolarHBondContact CB-O 3.16Å; F794-H824 PolarHBondContact O-N 3.47Å; E796-H824 IonicContact OE2-CD2 2.67Å; E796-H824 IonicContact OE2-NE2 2.74Å; E796-H824 PolarHBondContact OE2-NE2 3.32Å; I822-H824 PolarHBondContact O-CD2 2.85Å |
| 825 | T | 94 | Very high | 87.4 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | trans | -122.6 | 163.2 | 166.6 | 77 | 0 | 0 | 0 | 0 | 108.5 | C760 I761 I823 T827 Q828 I830 | C760-T825 CarbonylContact O-C 3.49Å; C760-T825 WeakPolarHBondContact O-CA 3.42Å; I761-T825 WeakPolarHBondContact O-CB 3.16Å; I823-T825 HydrophobicContact CG2-CG2 4.48Å; T825-T827 PolarHBondContact O-N 3.49Å; T825-T827 PolarHBondContact OG1-OG1 3.19Å; T825-Q828 PolarHBondContact N-O 3.19Å; T825-Q828 VanDerWaalsContact O-O 3.14Å; T825-Q828 VanDerWaalsContact OG1-CG 3.3Å; T825-Q828 WeakPolarHBondContact OG1-CG 3.29Å; T825-Q828 PolarHBondContact OG1-N 3.37Å; T825-Q828 PolarHBondContact OG1-O 3.46Å; T825-I830 HydrophobicContact CG2-CD1 4.12Å | ||
| 826 | R | 90 | Very high | 88.1 | Confident | 142 Ų | 142 | 50.3 Ų | 50.3 | 54% | 0.536 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -60.1 | -38.1 | 176.1 | -170.5 | 179.2 | 77.9 | -165.2 | -0.2 | 112 | E759 C760 I761 | E759-R826 WeakPolarHBondContact OE1-CD 3.39Å; E759-R826 IonicContact OE1-NH1 3.76Å; E759-R826 IonicContact OE2-NH1 2.94Å; C760-R826 PolarHBondContact O-N 3.45Å; I761-R826 PolarHBondContact O-N 3.02Å |
| 827 | T | 88.3 | Confident | 88.5 | Confident | 89 Ų | 89 | 51.3 Ų | 51.3 | 55% | 0.546 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -84.8 | -30 | -173.8 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | I761 T825 | I761-T827 HydrophobicContact CG2-CG2 4.08Å; I761-T827 WeakPolarHBondContact O-CB 3.45Å; I761-T827 WeakPolarHBondContact O-CG2 3.34Å; I761-T827 PolarHBondContact O-N 3.19Å; I761-T827 PolarHBondContact O-OG1 2.9Å; T825-T827 PolarHBondContact O-N 3.49Å; T825-T827 PolarHBondContact OG1-OG1 3.19Å |
| 828 | Q | 89 | Confident | 88.6 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | trans | -158.4 | 158.1 | -173.3 | 59.9 | 178.2 | 1 | 0 | 0 | 113.1 | D763 T825 I830 | D763-Q828 PolarHBondContact OD1-NE2 3Å; D763-Q828 VanDerWaalsContact OD1-NE2 3.16Å; T825-Q828 PolarHBondContact N-O 3.19Å; T825-Q828 VanDerWaalsContact O-O 3.14Å; T825-Q828 VanDerWaalsContact OG1-CG 3.3Å; T825-Q828 WeakPolarHBondContact OG1-CG 3.29Å; T825-Q828 PolarHBondContact OG1-N 3.37Å; T825-Q828 PolarHBondContact OG1-O 3.46Å; Q828-I830 HydrophobicContact CG-CD1 4.36Å; Q828-I830 HydrophobicContact CG-CG1 4.14Å | ||
| 829 | Q | 90.7 | Very high | 88.5 | Confident | 129 Ų | 129 | 49.4 Ų | 49.4 | 60% | 0.603 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.4 | 167.7 | -68.9 | -178.2 | 3 | 0 | 0 | 109.1 | I822 | I822-Q829 HydrophobicContact CG2-CB 3.75Å; I822-Q829 HydrophobicContact CG2-CG 4.21Å |
| 830 | I | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 102.1 | -176.5 | -56.8 | 149.2 | 0 | 0 | 0 | 108.4 | D763 I823 T825 Q828 C832 S852 K853 V856 | D763-I830 HydrophobicContact CB-CD1 4.31Å; I823-I830 HydrophobicContact CB-CB 4.2Å; I823-I830 HydrophobicContact CG2-CD1 4.32Å; I823-I830 PolarHBondContact N-O 3.19Å; I823-I830 PolarHBondContact O-N 3.13Å; T825-I830 HydrophobicContact CG2-CD1 4.12Å; Q828-I830 HydrophobicContact CG-CD1 4.36Å; Q828-I830 HydrophobicContact CG-CG1 4.14Å; I830-C832 PolarHBondContact O-SG 3.31Å; I830-C832 VanDerWaalsContact O-SG 3.41Å; I830-S852 WeakPolarHBondContact CA-OG 3.45Å; I830-K853 HydrophobicContact CG2-CB 4.2Å; I830-V856 HydrophobicContact CD1-CG2 4.1Å; I830-V856 HydrophobicContact CG2-CB 4.35Å; I830-V856 HydrophobicContact CG2-CG1 4.16Å; I830-V856 HydrophobicContact CG2-CG2 4.41Å |
| 831 | G | 90.9 | Very high | 88 | Confident | 32 Ų | 32 | 62.7 Ų | 62.7 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 136 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | S851 S852 | G831-S851 CarbonylContact O-C 3.58Å; G831-S851 WeakPolarHBondContact O-CA 3.35Å; G831-S851 VanDerWaalsContact O-CB 3.3Å; G831-S851 WeakPolarHBondContact O-CB 3.41Å; G831-S852 PolarHBondContact N-OG 3.23Å; G831-S852 PolarHBondContact O-N 3.44Å |
| 832 | C | 90.9 | Very high | 87.5 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139.7 | -173.4 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | F795 A820 G821 I830 F849 R850 | F795-C832 HydrophobicContact CD2-CB 4.29Å; F795-C832 HydrophobicContact CE2-CB 3.71Å; A820-C832 WeakPolarHBondContact CA-O 3.37Å; G821-C832 PolarHBondContact N-O 3.32Å; G821-C832 PolarHBondContact O-N 2.96Å; I830-C832 PolarHBondContact O-SG 3.31Å; I830-C832 VanDerWaalsContact O-SG 3.41Å; C832-F849 HydrophobicContact CB-CE1 3.74Å; C832-F849 HydrophobicContact CB-CZ 3.87Å; C832-R850 CarbonylContact C-O 3.59Å; C832-R850 WeakPolarHBondContact CA-O 3.42Å |
| 833 | L | 87.1 | Confident | 86.9 | Confident | 98 Ų | 98 | 69.5 Ų | 69.5 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128.2 | 176.2 | -64.6 | 173.6 | 0 | 0 | 0 | 108.7 | A819 A820 F849 R850 | A819-L833 CarbonylContact O-C 3.46Å; A819-L833 WeakPolarHBondContact O-CA 3.3Å; A820-L833 HydrophobicContact CB-CD2 3.57Å; L833-F849 CarbonylContact O-C 3.53Å; L833-F849 WeakPolarHBondContact O-CA 3.35Å; L833-R850 HydrophobicContact CB-CB 4.41Å; L833-R850 PolarHBondContact N-O 2.95Å; L833-R850 PolarHBondContact O-N 2.77Å |
| 834 | M | 86.5 | Confident | 86.3 | Confident | 35 Ų | 35 | 75.3 Ų | 75.3 | 17% | 0.172 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.6 | 177.4 | -173.9 | -174.6 | 80.4 | 0 | 0 | 109.4 | V818 A819 L847 T848 F849 L864 | V818-M834 CarbonylContact C-O 3.56Å; V818-M834 VanDerWaalsContact CA-O 3.24Å; V818-M834 WeakPolarHBondContact CA-O 3.37Å; A819-M834 HydrophobicContact CB-CB 4.19Å; A819-M834 HydrophobicContact CB-CE 3.9Å; A819-M834 PolarHBondContact N-O 3.14Å; A819-M834 PolarHBondContact O-N 2.69Å; M834-L847 HydrophobicContact CG-CD1 3.83Å; M834-L847 HydrophobicContact SD-CD1 4.16Å; M834-T848 CarbonylContact C-O 3.53Å; M834-T848 WeakPolarHBondContact CA-O 3.46Å; M834-F849 HydrophobicContact CB-CD2 3.9Å; M834-F849 HydrophobicContact CB-CE2 3.89Å; M834-F849 HydrophobicContact CG-CD2 3.89Å; M834-F849 HydrophobicContact CG-CE2 4.17Å; M834-F849 HydrophobicContact SD-CD2 4.48Å; M834-F849 HydrophobicContact SD-CE2 4.4Å; M834-L864 HydrophobicContact SD-CD1 3.82Å |
| 835 | R | 84.3 | Confident | 85.9 | Confident | 99 Ų | 99 | 79 Ų | 79 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 123.2 | 169.3 | 177.9 | 175.5 | 174.2 | 166.4 | -5.9 | 108.7 | N816 N817 V818 E837 T848 | N816-R835 PolarHBondContact ND2-NH2 3.14Å; N816-R835 VanDerWaalsContact ND2-NH2 3.14Å; N817-R835 CarbonylContact O-C 3.55Å; N817-R835 WeakPolarHBondContact O-CA 3.32Å; V818-R835 HydrophobicContact CG1-CB 4.15Å; V818-R835 HydrophobicContact CG1-CG 4.02Å; R835-E837 HydrophobicContact CG-CG 3.75Å; R835-E837 IonicContact CZ-OE1 3.46Å; R835-E837 IonicContact NE-OE1 2.88Å; R835-E837 PolarHBondContact NE-OE1 3.01Å; R835-E837 IonicContact NE-OE2 2.83Å; R835-E837 IonicContact NH2-OE1 3.58Å; R835-E837 PolarHBondContact NH2-OE1 3.41Å; R835-T848 PolarHBondContact N-O 3.19Å; R835-T848 PolarHBondContact O-N 3.35Å |
| 836 | L | 86.6 | Confident | 85.5 | Confident | 18 Ų | 18 | 86.3 Ų | 86.3 | 9% | 0.094 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120.7 | 172.5 | 174 | 68.1 | 0 | 0 | 0 | 108.1 | N816 N817 P838 Y845 L847 F868 | N816-L836 WeakPolarHBondContact CA-O 3.27Å; N817-L836 HydrophobicContact CB-CB 4.26Å; N817-L836 PolarHBondContact N-O 2.75Å; N817-L836 PolarHBondContact O-N 3.24Å; L836-P838 WeakPolarHBondContact O-CD 3.35Å; L836-Y845 HydrophobicContact CD1-CD2 3.68Å; L836-Y845 HydrophobicContact CD1-CE2 4.49Å; L836-Y845 HydrophobicContact CD1-CG 4.03Å; L836-L847 HydrophobicContact CB-CD1 4.29Å; L836-L847 HydrophobicContact CD1-CB 4.47Å; L836-L847 HydrophobicContact CD1-CD1 4.36Å; L836-F868 HydrophobicContact CD2-CD1 3.84Å; L836-F868 HydrophobicContact CD2-CE1 3.73Å; L836-F868 HydrophobicContact CD2-CG 4.38Å; L836-F868 HydrophobicContact CD2-CZ 4.17Å |
| 837 | E | 86.5 | Confident | 85.4 | Confident | 39 Ų | 39 | 80.7 Ų | 80.7 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 96.8 | -178.5 | -47 | -178.1 | 95.1 | 0 | 0 | 108.6 | N816 R835 Y845 R846 | N816-E837 WeakPolarHBondContact OD1-CA 3.18Å; N816-E837 WeakPolarHBondContact OD1-CB 3.37Å; N816-E837 WeakPolarHBondContact OD1-CG 3.28Å; R835-E837 HydrophobicContact CG-CG 3.75Å; R835-E837 IonicContact CZ-OE1 3.46Å; R835-E837 IonicContact NE-OE1 2.88Å; R835-E837 PolarHBondContact NE-OE1 3.01Å; R835-E837 IonicContact NE-OE2 2.83Å; R835-E837 IonicContact NH2-OE1 3.58Å; R835-E837 PolarHBondContact NH2-OE1 3.41Å; E837-Y845 CarbonylContact O-C 3.51Å; E837-Y845 WeakPolarHBondContact O-CA 3.27Å; E837-R846 HydrophobicContact CB-CB 4.24Å; E837-R846 PolarHBondContact N-O 3.04Å; E837-R846 PolarHBondContact O-N 3Å; E837-R846 WeakPolarHBondContact OE2-CD 3.46Å |
| 838 | P | 83.7 | Confident | 85.3 | Confident | 36 Ų | 36 | 78.4 Ų | 78.4 | 23% | 0.234 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 132.8 | 175 | 29.3 | -31.6 | 0 | 0 | 0 | 110 | E815 L836 | E815-P838 HydrophobicContact CB-CG 4.35Å; E815-P838 WeakPolarHBondContact O-CD 3.38Å; E815-P838 WeakPolarHBondContact O-CG 3.28Å; L836-P838 WeakPolarHBondContact O-CD 3.35Å |
| 839 | N | 80.8 | Confident | 85.2 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 86.5 | 168.6 | -176.9 | -12.1 | 0 | 0 | 0 | 108.4 | N841 A842 N843 M844 | N839-N841 VanDerWaalsContact C-N 3.27Å; N839-N841 PolarHBondContact O-N 3Å; N839-N841 PolarHBondContact OD1-N 3.03Å; N839-A842 PolarHBondContact O-N 3.13Å; N839-A842 PolarHBondContact OD1-N 3.27Å; N839-N843 PolarHBondContact O-N 3.39Å; N839-M844 CarbonylContact C-O 3.55Å; N839-M844 WeakPolarHBondContact CA-O 3.46Å; N839-M844 PolarHBondContact N-O 3.29Å; N839-M844 PolarHBondContact O-N 3.32Å; N839-M844 VanDerWaalsContact O-N 3.12Å |
| 840 | R | 80 | Confident | 85 | Confident | 191 Ų | 191 | 79 Ų | 79 | 72% | 0.721 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -60.4 | -35.9 | -175.8 | -64.3 | -179 | 178.8 | -176.4 | 0.1 | 112.7 | A842 N843 | R840-A842 VanDerWaalsContact C-N 3.28Å; R840-A842 PolarHBondContact O-N 3.3Å; R840-N843 PolarHBondContact O-N 3.09Å |
| 841 | N | 78.4 | Confident | 84.9 | Confident | 168 Ų | 168 | 80.2 Ų | 80.2 | 90% | 0.898 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -64.1 | -34.5 | -179.6 | -66 | -15.9 | 0 | 0 | 0 | 112.4 | N839 | N839-N841 VanDerWaalsContact C-N 3.27Å; N839-N841 PolarHBondContact O-N 3Å; N839-N841 PolarHBondContact OD1-N 3.03Å |
| 842 | A | 79.7 | Confident | 84.8 | Confident | 47 Ų | 47 | 83 Ų | 83 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -97.9 | 0.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N839 R840 M844 | N839-A842 PolarHBondContact O-N 3.13Å; N839-A842 PolarHBondContact OD1-N 3.27Å; R840-A842 VanDerWaalsContact C-N 3.28Å; R840-A842 PolarHBondContact O-N 3.3Å; A842-M844 HydrophobicContact CB-CB 4.39Å; A842-M844 HydrophobicContact CB-CE 3.53Å; A842-M844 HydrophobicContact CB-CG 4.34Å; A842-M844 WeakPolarHBondContact O-CG 3.48Å; A842-M844 PolarHBondContact O-N 3.36Å |
| 843 | N | 78.1 | Confident | 84.6 | Confident | 157 Ų | 157 | 86 Ų | 86 | 84% | 0.84 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 38.4 | -170.8 | -147.7 | 26.9 | 0 | 0 | 0 | 113 | N839 R840 | N839-N843 PolarHBondContact O-N 3.39Å; R840-N843 PolarHBondContact O-N 3.09Å |
| 844 | M | 82.5 | Confident | 84.4 | Confident | 123 Ų | 123 | 84 Ų | 84 | 61% | 0.606 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 160.5 | 179.9 | -72.9 | -167.5 | -74.7 | 0 | 0 | 109.7 | N839 A842 | N839-M844 CarbonylContact C-O 3.55Å; N839-M844 WeakPolarHBondContact CA-O 3.46Å; N839-M844 PolarHBondContact N-O 3.29Å; N839-M844 PolarHBondContact O-N 3.32Å; N839-M844 VanDerWaalsContact O-N 3.12Å; A842-M844 HydrophobicContact CB-CB 4.39Å; A842-M844 HydrophobicContact CB-CE 3.53Å; A842-M844 HydrophobicContact CB-CG 4.34Å; A842-M844 WeakPolarHBondContact O-CG 3.48Å; A842-M844 PolarHBondContact O-N 3.36Å |
| 845 | Y | 85.1 | Confident | 84.5 | Confident | 96 Ų | 96 | 84.7 Ų | 84.7 | 38% | 0.376 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 155.9 | 165.1 | 65.4 | -96.9 | 0 | 0 | 0 | 110.2 | L836 E837 L847 A865 F868 | L836-Y845 HydrophobicContact CD1-CD2 3.68Å; L836-Y845 HydrophobicContact CD1-CE2 4.49Å; L836-Y845 HydrophobicContact CD1-CG 4.03Å; E837-Y845 CarbonylContact O-C 3.51Å; E837-Y845 WeakPolarHBondContact O-CA 3.27Å; Y845-L847 HydrophobicContact CD2-CB 4.16Å; Y845-L847 HydrophobicContact CE2-CB 4.04Å; Y845-A865 PolarHBondContact OH-O 3.3Å; Y845-F868 HydrophobicContact CE1-CB 4.25Å; Y845-F868 VanDerWaalsContact CE1-OXT 3.28Å; Y845-F868 WeakPolarHBondContact CE1-OXT 3.48Å; Y845-F868 HydrophobicContact CE2-CB 4.23Å; Y845-F868 VanDerWaalsContact CZ-OXT 3.26Å; Y845-F868 PolarHBondContact OH-OXT 3.18Å |
| 846 | R | 85.7 | Confident | 84.8 | Confident | 165 Ų | 165 | 80 Ų | 80 | 62% | 0.623 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 112.4 | 167.6 | -176.4 | 177.5 | -178.7 | -180 | 7.3 | 109.1 | E837 | E837-R846 HydrophobicContact CB-CB 4.24Å; E837-R846 PolarHBondContact N-O 3.04Å; E837-R846 PolarHBondContact O-N 3Å; E837-R846 WeakPolarHBondContact OE2-CD 3.46Å |
| 847 | L | 88 | Confident | 84.9 | Confident | 24 Ų | 24 | 80 Ų | 80 | 13% | 0.126 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 120.7 | 169.6 | -176.6 | 63.9 | 0 | 0 | 0 | 109.2 | M834 L836 Y845 L864 F868 | M834-L847 HydrophobicContact CG-CD1 3.83Å; M834-L847 HydrophobicContact SD-CD1 4.16Å; L836-L847 HydrophobicContact CB-CD1 4.29Å; L836-L847 HydrophobicContact CD1-CB 4.47Å; L836-L847 HydrophobicContact CD1-CD1 4.36Å; Y845-L847 HydrophobicContact CD2-CB 4.16Å; Y845-L847 HydrophobicContact CE2-CB 4.04Å; L847-L864 HydrophobicContact CD2-CB 3.73Å; L847-F868 HydrophobicContact CD1-CD2 4.44Å; L847-F868 HydrophobicContact CD1-CE2 4.23Å; L847-F868 HydrophobicContact CD2-CD2 4.17Å; L847-F868 HydrophobicContact CD2-CE2 4.48Å |
| 848 | T | 85.6 | Confident | 85 | Confident | 41 Ų | 41 | 86.9 Ų | 86.9 | 25% | 0.252 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.7 | 174.4 | -58.6 | 0 | 0 | 0 | 0 | 109.2 | M834 R835 | M834-T848 CarbonylContact C-O 3.53Å; M834-T848 WeakPolarHBondContact CA-O 3.46Å; R835-T848 PolarHBondContact N-O 3.19Å; R835-T848 PolarHBondContact O-N 3.35Å |
| 849 | F | 87 | Confident | 85.3 | Confident | 27 Ų | 27 | 86.8 Ų | 86.8 | 12% | 0.118 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.4 | 174.8 | -150.1 | -75.6 | 0 | 0 | 0 | 110.8 | C832 L833 M834 L860 C861 L864 | C832-F849 HydrophobicContact CB-CE1 3.74Å; C832-F849 HydrophobicContact CB-CZ 3.87Å; L833-F849 CarbonylContact O-C 3.53Å; L833-F849 WeakPolarHBondContact O-CA 3.35Å; M834-F849 HydrophobicContact CB-CD2 3.9Å; M834-F849 HydrophobicContact CB-CE2 3.89Å; M834-F849 HydrophobicContact CG-CD2 3.89Å; M834-F849 HydrophobicContact CG-CE2 4.17Å; M834-F849 HydrophobicContact SD-CD2 4.48Å; M834-F849 HydrophobicContact SD-CE2 4.4Å; F849-L860 HydrophobicContact CD1-CB 4.23Å; F849-L860 HydrophobicContact CD1-CD1 4.34Å; F849-L860 HydrophobicContact CD2-CB 4.28Å; F849-L860 HydrophobicContact CE1-CB 4.07Å; F849-L860 HydrophobicContact CE1-CD1 3.47Å; F849-L860 VanDerWaalsContact CE1-CD1 3.47Å; F849-L860 HydrophobicContact CE1-CG 4.43Å; F849-L860 HydrophobicContact CE2-CB 4.12Å; F849-L860 HydrophobicContact CE2-CD1 4.31Å; F849-L860 HydrophobicContact CG-CB 4.33Å; F849-L860 HydrophobicContact CZ-CB 4.02Å; F849-L860 HydrophobicContact CZ-CD1 3.45Å; F849-L860 VanDerWaalsContact CZ-CD1 3.45Å; F849-L860 HydrophobicContact CZ-CG 4.37Å; F849-C861 HydrophobicContact CB-CB 4.15Å; F849-L864 HydrophobicContact CD2-CD1 4.03Å; F849-L864 HydrophobicContact CE2-CD1 3.92Å |
| 850 | R | 86.5 | Confident | 85.7 | Confident | 182 Ų | 182 | 83.4 Ų | 83.4 | 69% | 0.687 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143 | 174.3 | -66.4 | -170.1 | 178.7 | -159.7 | 0.3 | 109.7 | C832 L833 | C832-R850 CarbonylContact C-O 3.59Å; C832-R850 WeakPolarHBondContact CA-O 3.42Å; L833-R850 HydrophobicContact CB-CB 4.41Å; L833-R850 PolarHBondContact N-O 2.95Å; L833-R850 PolarHBondContact O-N 2.77Å |
| 851 | S | 89.8 | Confident | 86.1 | Confident | 26 Ų | 26 | 75.9 Ų | 75.9 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 163.2 | 175.1 | 73.2 | 0 | 0 | 0 | 0 | 110.7 | G831 K853 S857 | G831-S851 CarbonylContact O-C 3.58Å; G831-S851 WeakPolarHBondContact O-CA 3.35Å; G831-S851 VanDerWaalsContact O-CB 3.3Å; G831-S851 WeakPolarHBondContact O-CB 3.41Å; S851-K853 PolarHBondContact O-N 3.22Å; S851-K853 VanDerWaalsContact O-N 3.15Å; S851-K853 PolarHBondContact OG-N 3.48Å; S851-K853 PolarHBondContact OG-O 2.62Å; S851-S857 WeakPolarHBondContact CB-OG 3.44Å; S851-S857 PolarHBondContact N-OG 2.88Å; S851-S857 PolarHBondContact OG-N 3.24Å; S851-S857 PolarHBondContact OG-OG 2.89Å |
| 852 | S | 87.9 | Confident | 86.3 | Confident | 90 Ų | 90 | 72.4 Ų | 72.4 | 63% | 0.629 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -65.8 | -9.8 | 174.7 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | I830 G831 | I830-S852 WeakPolarHBondContact CA-OG 3.45Å; G831-S852 PolarHBondContact N-OG 3.23Å; G831-S852 PolarHBondContact O-N 3.44Å |
| 853 | K | 86.9 | Confident | 86.5 | Confident | 68 Ų | 68 | 71.4 Ų | 71.4 | 30% | 0.296 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -129.4 | 107.5 | 177.1 | -170.8 | 173.2 | -177.1 | 178.5 | 0 | 111.1 | D763 I830 S851 S855 V856 S857 | D763-K853 IonicContact OD1-NZ 3.65Å; D763-K853 PolarHBondContact OD1-NZ 3.27Å; D763-K853 VanDerWaalsContact OD2-CE 3.27Å; D763-K853 WeakPolarHBondContact OD2-CE 3.38Å; D763-K853 IonicContact OD2-NZ 3.11Å; D763-K853 PolarHBondContact OD2-NZ 3.3Å; I830-K853 HydrophobicContact CG2-CB 4.2Å; S851-K853 PolarHBondContact O-N 3.22Å; S851-K853 VanDerWaalsContact O-N 3.15Å; S851-K853 PolarHBondContact OG-N 3.48Å; S851-K853 PolarHBondContact OG-O 2.62Å; K853-S855 WeakPolarHBondContact CE-OG 3.34Å; K853-S855 PolarHBondContact O-N 3.47Å; K853-V856 HydrophobicContact CB-CB 4.44Å; K853-V856 HydrophobicContact CB-CG2 4.05Å; K853-V856 HydrophobicContact CD-CG2 4.09Å; K853-V856 HydrophobicContact CG-CG2 4.19Å; K853-V856 WeakPolarHBondContact O-CB 3.33Å; K853-V856 PolarHBondContact O-N 3.44Å; K853-S857 PolarHBondContact O-N 3.37Å |
| 854 | G | 82.8 | Confident | 86.6 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -54.4 | -31.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | V856 S857 R858 | G854-V856 VanDerWaalsContact C-N 3.34Å; G854-V856 PolarHBondContact O-N 2.86Å; G854-S857 PolarHBondContact O-N 3.4Å; G854-R858 PolarHBondContact O-N 3.31Å |
| 855 | S | 88.9 | Confident | 86.4 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.1 | -34.4 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | Y765 K853 H859 | Y765-S855 VanDerWaalsContact OH-CB 3.23Å; Y765-S855 WeakPolarHBondContact OH-CB 3.48Å; Y765-S855 PolarHBondContact OH-OG 2.99Å; K853-S855 WeakPolarHBondContact CE-OG 3.34Å; K853-S855 PolarHBondContact O-N 3.47Å; S855-H859 PolarHBondContact O-N 2.84Å |
| 856 | V | 91.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 177.6 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | D763 L791 I823 I830 K853 G854 R858 H859 L860 | D763-V856 HydrophobicContact CB-CG2 4.06Å; L791-V856 HydrophobicContact CD2-CG1 3.94Å; L791-V856 HydrophobicContact CD2-CG2 4.02Å; I823-V856 HydrophobicContact CD1-CG1 4.07Å; I830-V856 HydrophobicContact CD1-CG2 4.1Å; I830-V856 HydrophobicContact CG2-CB 4.35Å; I830-V856 HydrophobicContact CG2-CG1 4.16Å; I830-V856 HydrophobicContact CG2-CG2 4.41Å; K853-V856 HydrophobicContact CB-CB 4.44Å; K853-V856 HydrophobicContact CB-CG2 4.05Å; K853-V856 HydrophobicContact CD-CG2 4.09Å; K853-V856 HydrophobicContact CG-CG2 4.19Å; K853-V856 WeakPolarHBondContact O-CB 3.33Å; K853-V856 PolarHBondContact O-N 3.44Å; G854-V856 VanDerWaalsContact C-N 3.34Å; G854-V856 PolarHBondContact O-N 2.86Å; V856-R858 PolarHBondContact O-N 3.47Å; V856-H859 PolarHBondContact O-N 3.19Å; V856-L860 HydrophobicContact CG1-CD1 3.55Å; V856-L860 HydrophobicContact CG1-CG 4.12Å; V856-L860 WeakPolarHBondContact O-CB 3.38Å; V856-L860 WeakPolarHBondContact O-CG 3.49Å; V856-L860 PolarHBondContact O-N 3.17Å |
| 857 | S | 88.4 | Confident | 84.9 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 175.9 | -70 | 0 | 0 | 0 | 0 | 112.9 | S851 K853 G854 C861 | S851-S857 WeakPolarHBondContact CB-OG 3.44Å; S851-S857 PolarHBondContact N-OG 2.88Å; S851-S857 PolarHBondContact OG-N 3.24Å; S851-S857 PolarHBondContact OG-OG 2.89Å; K853-S857 PolarHBondContact O-N 3.37Å; G854-S857 PolarHBondContact O-N 3.4Å; S857-C861 VanDerWaalsContact O-CB 3.28Å; S857-C861 WeakPolarHBondContact O-CB 3.41Å; S857-C861 PolarHBondContact O-N 3.17Å; S857-C861 VanDerWaalsContact O-N 3.11Å |
| 858 | R | 88.5 | Confident | 83.8 | Confident | 183 Ų | 183 | 61.4 Ų | 61.4 | 69% | 0.691 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.3 | -52.5 | 179.8 | -170.9 | 179.4 | -63.9 | 142.5 | -0.1 | 110.5 | G854 V856 L860 C861 D862 | G854-R858 PolarHBondContact O-N 3.31Å; V856-R858 PolarHBondContact O-N 3.47Å; R858-L860 PolarHBondContact O-N 2.9Å; R858-C861 WeakPolarHBondContact O-CB 3.3Å; R858-C861 PolarHBondContact O-N 2.87Å; R858-D862 PolarHBondContact O-N 3.27Å |
| 859 | H | 90.1 | Very high | 83.8 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -43.5 | -178 | -179 | 63.3 | 0 | 0 | 0 | 113.9 | Y765 S855 V856 C861 D862 L863 | Y765-H859 HydrophobicContact CD1-CB 3.59Å; Y765-H859 AromaticContact CD1-CD2 3.58Å; Y765-H859 AromaticContact CD1-CG 3.46Å; Y765-H859 VanDerWaalsContact CD1-CG 3.46Å; Y765-H859 AromaticContact CD1-ND1 3.92Å; Y765-H859 HydrophobicContact CE1-CB 3.8Å; Y765-H859 PolarHBondContact O-CE1 3.12Å; S855-H859 PolarHBondContact O-N 2.84Å; V856-H859 PolarHBondContact O-N 3.19Å; H859-C861 VanDerWaalsContact C-N 3.35Å; H859-D862 PolarHBondContact O-N 3.07Å; H859-L863 WeakPolarHBondContact NE2-CD1 3.27Å; H859-L863 WeakPolarHBondContact O-CG 3.33Å; H859-L863 PolarHBondContact O-N 3.47Å |
| 860 | L | 89 | Confident | 83.6 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.8 | -33.1 | 179.2 | -67.3 | 175.7 | 0 | 0 | 0 | 112.4 | C792 I823 F849 V856 R858 L863 L864 | C792-L860 HydrophobicContact CB-CD2 3.78Å; I823-L860 HydrophobicContact CD1-CD1 3.54Å; F849-L860 HydrophobicContact CD1-CB 4.23Å; F849-L860 HydrophobicContact CD1-CD1 4.34Å; F849-L860 HydrophobicContact CD2-CB 4.28Å; F849-L860 HydrophobicContact CE1-CB 4.07Å; F849-L860 HydrophobicContact CE1-CD1 3.47Å; F849-L860 VanDerWaalsContact CE1-CD1 3.47Å; F849-L860 HydrophobicContact CE1-CG 4.43Å; F849-L860 HydrophobicContact CE2-CB 4.12Å; F849-L860 HydrophobicContact CE2-CD1 4.31Å; F849-L860 HydrophobicContact CG-CB 4.33Å; F849-L860 HydrophobicContact CZ-CB 4.02Å; F849-L860 HydrophobicContact CZ-CD1 3.45Å; F849-L860 VanDerWaalsContact CZ-CD1 3.45Å; F849-L860 HydrophobicContact CZ-CG 4.37Å; V856-L860 HydrophobicContact CG1-CD1 3.55Å; V856-L860 HydrophobicContact CG1-CG 4.12Å; V856-L860 WeakPolarHBondContact O-CB 3.38Å; V856-L860 WeakPolarHBondContact O-CG 3.49Å; V856-L860 PolarHBondContact O-N 3.17Å; R858-L860 PolarHBondContact O-N 2.9Å; L860-L863 HydrophobicContact CD2-CD1 4.49Å; L860-L864 VanDerWaalsContact O-CB 3.3Å; L860-L864 WeakPolarHBondContact O-CB 3.42Å; L860-L864 VanDerWaalsContact O-CG 3.26Å; L860-L864 WeakPolarHBondContact O-CG 3.43Å; L860-L864 PolarHBondContact O-N 3.29Å |
| 861 | C | 87.1 | Confident | 83.4 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 173.7 | -163.9 | 0 | 0 | 0 | 0 | 110.7 | F849 S857 R858 H859 L864 A865 | F849-C861 HydrophobicContact CB-CB 4.15Å; S857-C861 VanDerWaalsContact O-CB 3.28Å; S857-C861 WeakPolarHBondContact O-CB 3.41Å; S857-C861 PolarHBondContact O-N 3.17Å; S857-C861 VanDerWaalsContact O-N 3.11Å; R858-C861 WeakPolarHBondContact O-CB 3.3Å; R858-C861 PolarHBondContact O-N 2.87Å; H859-C861 VanDerWaalsContact C-N 3.35Å; C861-L864 PolarHBondContact O-N 3.44Å; C861-A865 WeakPolarHBondContact O-CB 3.5Å; C861-A865 PolarHBondContact O-N 3.31Å |
| 862 | D | 84.3 | Confident | 83 | Confident | 94 Ų | 94 | 59.6 Ų | 59.6 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 178.3 | -60.1 | -22.9 | 0 | 0 | 0 | 111 | R858 H859 L864 A865 | R858-D862 PolarHBondContact O-N 3.27Å; H859-D862 PolarHBondContact O-N 3.07Å; D862-L864 VanDerWaalsContact C-N 3.34Å; D862-L864 PolarHBondContact O-N 2.96Å; D862-A865 PolarHBondContact O-N 2.97Å |
| 863 | L | 83.6 | Confident | 82.7 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 178.1 | -77 | 176 | 0 | 0 | 0 | 113.1 | L678 F790 H859 L860 | L678-L863 HydrophobicContact CD1-CB 4.14Å; L678-L863 WeakPolarHBondContact CD1-O 3.43Å; L678-L863 HydrophobicContact CD2-CB 4.14Å; L678-L863 HydrophobicContact CD2-CD1 3.99Å; L678-L863 HydrophobicContact CD2-CD2 4.23Å; L678-L863 HydrophobicContact CD2-CG 4.37Å; F790-L863 HydrophobicContact CD1-CD1 4.36Å; F790-L863 HydrophobicContact CD1-CD2 4.34Å; F790-L863 HydrophobicContact CE1-CD2 4.41Å; H859-L863 WeakPolarHBondContact NE2-CD1 3.27Å; H859-L863 WeakPolarHBondContact O-CG 3.33Å; H859-L863 PolarHBondContact O-N 3.47Å; L860-L863 HydrophobicContact CD2-CD1 4.49Å |
| 864 | L | 80.4 | Confident | 82.5 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -79.9 | -26.1 | -177.9 | -72.9 | 172.2 | 0 | 0 | 0 | 112.7 | M834 L847 F849 L860 C861 D862 D866 V867 F868 | M834-L864 HydrophobicContact SD-CD1 3.82Å; L847-L864 HydrophobicContact CD2-CB 3.73Å; F849-L864 HydrophobicContact CD2-CD1 4.03Å; F849-L864 HydrophobicContact CE2-CD1 3.92Å; L860-L864 VanDerWaalsContact O-CB 3.3Å; L860-L864 WeakPolarHBondContact O-CB 3.42Å; L860-L864 VanDerWaalsContact O-CG 3.26Å; L860-L864 WeakPolarHBondContact O-CG 3.43Å; L860-L864 PolarHBondContact O-N 3.29Å; C861-L864 PolarHBondContact O-N 3.44Å; D862-L864 VanDerWaalsContact C-N 3.34Å; D862-L864 PolarHBondContact O-N 2.96Å; L864-D866 PolarHBondContact O-N 2.82Å; L864-V867 WeakPolarHBondContact O-CB 3.32Å; L864-V867 PolarHBondContact O-N 2.76Å; L864-F868 HydrophobicContact CB-CD2 4.15Å; L864-F868 HydrophobicContact CB-CE2 4.04Å; L864-F868 HydrophobicContact CD2-CE2 4.24Å; L864-F868 WeakPolarHBondContact O-CD2 3.43Å; L864-F868 PolarHBondContact O-N 3.06Å; L864-F868 VanDerWaalsContact O-N 3.12Å |
| 865 | A | 77.7 | Confident | 82.5 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.7 | -32.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y845 C861 D862 V867 F868 | Y845-A865 PolarHBondContact OH-O 3.3Å; C861-A865 WeakPolarHBondContact O-CB 3.5Å; C861-A865 PolarHBondContact O-N 3.31Å; D862-A865 PolarHBondContact O-N 2.97Å; A865-V867 PolarHBondContact O-N 2.86Å; A865-F868 VanDerWaalsContact O-OXT 3.08Å |
| 866 | D | 69.8 | Low | 82 | Confident | 117 Ų | 117 | 57.8 Ų | 57.8 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.7 | 174.3 | -68.6 | -21.9 | 0 | 0 | 0 | 113.2 | C675 L864 | C675-D866 HydrophobicContact CB-CB 4.42Å; L864-D866 PolarHBondContact O-N 2.82Å |
| 867 | V | 69.1 | Low | 81.2 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 33% | 0.333 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -34.1 | -177.7 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | C675 L678 T679 L864 A865 | C675-V867 HydrophobicContact CB-CG2 4.12Å; L678-V867 HydrophobicContact CB-CG2 4.29Å; L678-V867 HydrophobicContact CD1-CG2 3.44Å; L678-V867 VanDerWaalsContact CD1-CG2 3.44Å; L678-V867 HydrophobicContact CG-CG2 4.47Å; T679-V867 HydrophobicContact CG2-CG1 4.47Å; L864-V867 WeakPolarHBondContact O-CB 3.32Å; L864-V867 PolarHBondContact O-N 2.76Å; A865-V867 PolarHBondContact O-N 2.86Å |
| 868 | F | 66.1 | Low | 80.5 | Confident | 113 Ų | 113 | 66.5 Ų | 66.5 | 50% | 0.496 | 34% | 0.335 | S | S | . | . | trans | -95.8 | 0 | -178.1 | -68.2 | -62.9 | 0 | 0 | 0 | 111.6 | L836 Y845 L847 L864 A865 | L836-F868 HydrophobicContact CD2-CD1 3.84Å; L836-F868 HydrophobicContact CD2-CE1 3.73Å; L836-F868 HydrophobicContact CD2-CG 4.38Å; L836-F868 HydrophobicContact CD2-CZ 4.17Å; Y845-F868 HydrophobicContact CE1-CB 4.25Å; Y845-F868 VanDerWaalsContact CE1-OXT 3.28Å; Y845-F868 WeakPolarHBondContact CE1-OXT 3.48Å; Y845-F868 HydrophobicContact CE2-CB 4.23Å; Y845-F868 VanDerWaalsContact CZ-OXT 3.26Å; Y845-F868 PolarHBondContact OH-OXT 3.18Å; L847-F868 HydrophobicContact CD1-CD2 4.44Å; L847-F868 HydrophobicContact CD1-CE2 4.23Å; L847-F868 HydrophobicContact CD2-CD2 4.17Å; L847-F868 HydrophobicContact CD2-CE2 4.48Å; L864-F868 HydrophobicContact CB-CD2 4.15Å; L864-F868 HydrophobicContact CB-CE2 4.04Å; L864-F868 HydrophobicContact CD2-CE2 4.24Å; L864-F868 WeakPolarHBondContact O-CD2 3.43Å; L864-F868 PolarHBondContact O-N 3.06Å; L864-F868 VanDerWaalsContact O-N 3.12Å; A865-F868 VanDerWaalsContact O-OXT 3.08Å |
Retrieved 868 of 868 residues in 625.3 ms
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