| 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 | 34.7 | Very low | 59.7 | Low | 105 Ų | 105 | 63.9 Ų | 63.9 | 52% | 0.517 | 44% | 0.436 | S | S | . | . | 0 | -60.3 | 0 | -70.1 | -65.2 | -147.7 | 0 | 0 | 111.2 | L63 V82 L125 | M1-L63 HydrophobicContact CE-CD2 3.44Å; M1-L63 VanDerWaalsContact CE-CD2 3.44Å; M1-L63 HydrophobicContact SD-CD2 3.69Å; M1-V82 HydrophobicContact CE-CG1 4.11Å; M1-L125 HydrophobicContact CE-CB 4.16Å; M1-L125 HydrophobicContact CE-CD1 3.86Å; M1-L125 HydrophobicContact CE-CD2 4.08Å; M1-L125 HydrophobicContact CE-CG 4.27Å; M1-L125 HydrophobicContact SD-CD2 4.5Å | |||
| 2 | A | 28.9 | Very low | 62.3 | Low | 102 Ų | 102 | 61.1 Ų | 61.1 | 84% | 0.843 | 41% | 0.409 | S | S | * | . | trans | -83.6 | -23.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3 | D | 34.8 | Very low | 64.5 | Low | 135 Ų | 135 | 56.4 Ų | 56.4 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -64.2 | 130 | 164.3 | -75.4 | -65.7 | 0 | 0 | 0 | 111.4 | A5 | D3-A5 PolarHBondContact O-N 3.33Å; D3-A5 VanDerWaalsContact O-N 3.16Å |
| 4 | A | 34.6 | Very low | 66.4 | Low | 97 Ų | 97 | 52.6 Ų | 52.6 | 80% | 0.802 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 2.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A6 | A4-A6 PolarHBondContact O-N 2.89Š|
| 5 | A | 40.5 | Very low | 67.9 | Low | 72 Ų | 72 | 49.1 Ų | 49.1 | 60% | 0.595 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -16.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D3 | D3-A5 PolarHBondContact O-N 3.33Å; D3-A5 VanDerWaalsContact O-N 3.16Å |
| 6 | A | 58.5 | Low | 69.3 | Low | 71 Ų | 71 | 46.4 Ų | 46.4 | 59% | 0.587 | 31% | 0.31 | S | S | * | . | trans | -152.3 | 101.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A4 | A4-A6 PolarHBondContact O-N 2.89Š| ||
| 7 | S | 73.7 | Confident | 70.2 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | trans | -69.8 | 143.6 | 166.1 | -178 | 0 | 0 | 0 | 0 | 110 | V9 R245 | S7-V9 VanDerWaalsContact C-N 3.26Å; S7-V9 WeakPolarHBondContact OG-CB 3.17Å; S7-V9 WeakPolarHBondContact OG-CG2 3.43Å; S7-V9 PolarHBondContact OG-N 3.41Å; S7-V9 VanDerWaalsContact OG-N 3.13Å; S7-R245 PolarHBondContact OG-O 2.86Å | ||
| 8 | P | 85.1 | Confident | 70.3 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -74.9 | -15.2 | 168.9 | 32.9 | -37.2 | 0 | 0 | 0 | 113 | K11 V52 M55 L92 | P8-K11 WeakPolarHBondContact O-CB 3.41Å; P8-K11 PolarHBondContact O-N 3.48Å; P8-V52 HydrophobicContact CB-CG2 4.39Å; P8-V52 WeakPolarHBondContact O-CB 3.27Å; P8-V52 WeakPolarHBondContact O-CG2 3.43Å; P8-M55 HydrophobicContact CG-SD 3.8Å; P8-L92 HydrophobicContact CB-CD1 4.2Å; P8-L92 HydrophobicContact CB-CD2 3.74Å |
| 9 | V | 88.4 | Confident | 69.7 | Low | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 141.3 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | S7 K11 V52 M55 R245 H248 | S7-V9 VanDerWaalsContact C-N 3.26Å; S7-V9 WeakPolarHBondContact OG-CB 3.17Å; S7-V9 WeakPolarHBondContact OG-CG2 3.43Å; S7-V9 PolarHBondContact OG-N 3.41Å; S7-V9 VanDerWaalsContact OG-N 3.13Å; V9-K11 PolarHBondContact O-N 3.21Å; V9-V52 HydrophobicContact CG2-CG1 4.28Å; V9-M55 HydrophobicContact CG2-CB 4.49Å; V9-M55 HydrophobicContact CG2-CG 3.89Å; V9-M55 HydrophobicContact CG2-SD 4.14Å; V9-R245 WeakPolarHBondContact CG2-O 3.11Å; V9-H248 VanDerWaalsContact CG1-CA 3.45Å; V9-H248 HydrophobicContact CG1-CB 3.8Å |
| 10 | G | 87.4 | Confident | 68.4 | Low | 18 Ų | 18 | 55.5 Ų | 55.5 | 19% | 0.186 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -35.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V52 H248 | G10-V52 PolarHBondContact N-O 3.14Å; G10-V52 VanDerWaalsContact N-O 3.09Å; G10-H248 WeakPolarHBondContact CA-ND1 3.41Å |
| 11 | K | 89.7 | Confident | 67 | Low | 61 Ų | 61 | 57.5 Ų | 57.5 | 27% | 0.265 | 38% | 0.377 | S | S | . | . | trans | -77.7 | 153 | -170.7 | -68 | -170.3 | 160 | -148.6 | 0 | 114.2 | P8 V9 V52 L92 E93 | P8-K11 WeakPolarHBondContact O-CB 3.41Å; P8-K11 PolarHBondContact O-N 3.48Å; V9-K11 PolarHBondContact O-N 3.21Å; K11-V52 PolarHBondContact O-N 3.48Å; K11-L92 HydrophobicContact CB-CD2 4.08Å; K11-L92 HydrophobicContact CB-CG 4.3Å; K11-L92 HydrophobicContact CD-CD2 3.69Å; K11-L92 HydrophobicContact CG-CD2 4.47Å; K11-E93 HydrophobicContact CB-CB 3.99Å; K11-E93 HydrophobicContact CD-CB 4.29Å; K11-E93 HydrophobicContact CG-CB 4.33Å; K11-E93 PolarHBondContact NZ-O 3.2Å | ||
| 12 | R | 90.8 | Very high | 67 | Low | 30 Ų | 30 | 55.3 Ų | 55.3 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 156.5 | 165.1 | -64.8 | -171.6 | 69 | -143.2 | -7.4 | 111.8 | G50 D70 E93 F122 E138 | R12-G50 CarbonylContact C-O 3.57Å; R12-G50 VanDerWaalsContact CA-O 3.28Å; R12-G50 WeakPolarHBondContact CA-O 3.4Å; R12-D70 IonicContact CZ-OD2 3.74Å; R12-D70 IonicContact NE-OD2 3.84Å; R12-D70 IonicContact NH2-OD2 3.93Å; R12-D70 PolarHBondContact NH2-OD2 2.66Å; R12-E93 HydrophobicContact CB-CB 4.48Å; R12-E93 PolarHBondContact N-OE2 2.76Å; R12-E93 WeakPolarHBondContact O-CB 3.36Å; R12-E93 PolarHBondContact O-N 3.42Å; R12-F122 HydrophobicContact CB-CE1 4.4Å; R12-E138 IonicContact CZ-OE1 2.85Å; R12-E138 IonicContact CZ-OE2 3.52Å; R12-E138 VanDerWaalsContact NH1-CD 3.33Å; R12-E138 IonicContact NH1-OE1 3.63Å; R12-E138 PolarHBondContact NH1-OE1 2.88Å; R12-E138 IonicContact NH1-OE2 3.9Å; R12-E138 PolarHBondContact NH1-OE2 2.71Å; R12-E138 IonicContact NH2-OE1 3.75Å; R12-E138 IonicContact NH2-OE2 2.68Å; R12-E138 PolarHBondContact NH2-OE2 2.81Å |
| 13 | L | 91.7 | Very high | 67 | Low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 157.7 | -179.1 | 73 | 97.8 | 0 | 0 | 0 | 111.7 | L15 A49 G50 V52 I65 V67 L91 L92 | L13-L15 HydrophobicContact CD1-CB 4.12Å; L13-L15 HydrophobicContact CD1-CD1 3.55Å; L13-L15 HydrophobicContact CD1-CG 3.59Å; L13-A49 WeakPolarHBondContact O-CA 3.41Å; L13-G50 PolarHBondContact N-O 2.76Å; L13-G50 PolarHBondContact O-N 2.94Å; L13-G50 VanDerWaalsContact O-N 3.13Å; L13-V52 HydrophobicContact CD2-CG2 3.48Å; L13-V52 VanDerWaalsContact CD2-CG2 3.48Å; L13-I65 HydrophobicContact CD2-CD1 4.03Å; L13-V67 HydrophobicContact CD1-CG1 4.37Å; L13-V67 HydrophobicContact CD2-CB 4.43Å; L13-V67 HydrophobicContact CD2-CG1 3.84Å; L13-V67 HydrophobicContact CD2-CG2 3.78Å; L13-V67 HydrophobicContact CG-CG1 4.43Å; L13-L91 CarbonylContact C-O 3.58Å; L13-L91 VanDerWaalsContact CA-O 3.22Å; L13-L91 WeakPolarHBondContact CA-O 3.47Å; L13-L91 WeakPolarHBondContact CB-O 2.84Å; L13-L92 HydrophobicContact CB-CD1 3.82Å |
| 14 | L | 90.9 | Very high | 66.9 | Low | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 121.5 | 172.1 | -57 | 168.4 | 0 | 0 | 0 | 109.1 | W47 A49 L91 F122 L145 | L14-W47 HydrophobicContact CB-CE3 3.99Å; L14-W47 HydrophobicContact CB-CZ3 4.27Å; L14-A49 HydrophobicContact CD2-CB 3.78Å; L14-L91 HydrophobicContact CB-CB 4.16Å; L14-L91 HydrophobicContact CB-CD1 4.12Å; L14-L91 HydrophobicContact CB-CG 4.42Å; L14-L91 HydrophobicContact CD1-CD1 4.01Å; L14-L91 PolarHBondContact N-O 2.99Å; L14-L91 PolarHBondContact O-N 3.08Å; L14-F122 HydrophobicContact CD1-CD1 3.89Å; L14-F122 HydrophobicContact CD1-CD2 3.88Å; L14-F122 HydrophobicContact CD1-CE1 3.98Å; L14-F122 HydrophobicContact CD1-CE2 3.99Å; L14-F122 HydrophobicContact CD1-CG 3.85Å; L14-F122 HydrophobicContact CD1-CZ 4.03Å; L14-F122 HydrophobicContact CG-CD1 3.96Å; L14-F122 HydrophobicContact CG-CE1 3.81Å; L14-F122 HydrophobicContact CG-CG 4.43Å; L14-F122 HydrophobicContact CG-CZ 4.15Å; L14-L145 HydrophobicContact CD1-CD1 3.57Å; L14-L145 HydrophobicContact CD1-CD2 3.98Å; L14-L145 HydrophobicContact CD1-CG 4.44Å; L14-L145 HydrophobicContact CD2-CD2 4.5Å |
| 15 | L | 89.6 | Confident | 66.7 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.1 | -179.1 | -96.7 | 164.3 | 0 | 0 | 0 | 111.2 | L13 F17 W47 R48 F69 V80 V87 L90 | L13-L15 HydrophobicContact CD1-CB 4.12Å; L13-L15 HydrophobicContact CD1-CD1 3.55Å; L13-L15 HydrophobicContact CD1-CG 3.59Å; L15-F17 HydrophobicContact CB-CD2 4.44Å; L15-F17 HydrophobicContact CB-CE2 3.93Å; L15-F17 HydrophobicContact CD1-CE2 4.01Å; L15-F17 HydrophobicContact CD1-CZ 3.95Å; L15-F17 HydrophobicContact CD2-CE2 4.28Å; L15-F17 HydrophobicContact CD2-CZ 4.14Å; L15-F17 HydrophobicContact CG-CE2 4.31Å; L15-F17 HydrophobicContact CG-CZ 4.46Å; L15-W47 WeakPolarHBondContact O-CA 3.48Å; L15-R48 HydrophobicContact CB-CB 4.4Å; L15-R48 PolarHBondContact N-O 2.97Å; L15-R48 PolarHBondContact O-N 3.08Å; L15-F69 HydrophobicContact CD1-CE1 3.97Å; L15-F69 HydrophobicContact CD1-CZ 3.91Å; L15-V80 HydrophobicContact CD1-CB 4.38Å; L15-V80 HydrophobicContact CD1-CG1 3.97Å; L15-V80 HydrophobicContact CD1-CG2 3.94Å; L15-V80 HydrophobicContact CD2-CG1 4.22Å; L15-V87 HydrophobicContact CD2-CG1 3.79Å; L15-V87 HydrophobicContact CD2-CG2 4.18Å; L15-L90 HydrophobicContact CD2-CB 4.09Å; L15-L90 HydrophobicContact CD2-CD1 3.91Å; L15-L90 HydrophobicContact CD2-CG 3.79Å; L15-L90 HydrophobicContact CG-CD1 4.46Å; L15-L90 HydrophobicContact CG-CG 4.13Å |
| 16 | L | 89 | Confident | 66.2 | Low | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 115.5 | 168.2 | -178.5 | 66.9 | 0 | 0 | 0 | 109.2 | R45 W47 I88 V89 L129 | L16-R45 HydrophobicContact CD1-CB 3.79Å; L16-W47 HydrophobicContact CB-CD2 4.36Å; L16-W47 HydrophobicContact CB-CE3 3.92Å; L16-W47 HydrophobicContact CB-CH2 4.22Å; L16-W47 HydrophobicContact CB-CZ3 3.86Å; L16-W47 HydrophobicContact CD2-CH2 4.48Å; L16-W47 HydrophobicContact CD2-CZ2 4.34Å; L16-I88 HydrophobicContact CD2-CB 4.34Å; L16-I88 HydrophobicContact CD2-CG2 4.33Å; L16-I88 HydrophobicContact CG-CB 4.34Å; L16-I88 PolarHBondContact O-N 3.29Å; L16-V89 HydrophobicContact CB-CB 4.14Å; L16-V89 HydrophobicContact CD2-CG2 4.33Å; L16-V89 PolarHBondContact N-O 3.37Å; L16-V89 PolarHBondContact O-N 3.37Å; L16-L129 HydrophobicContact CD2-CD1 3.7Å |
| 17 | F | 84.6 | Confident | 64.9 | Low | 60 Ų | 60 | 58.4 Ų | 58.4 | 26% | 0.263 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 161.1 | 176.4 | -69.3 | -84.2 | 0 | 0 | 0 | 111.6 | L15 V80 E86 V87 | L15-F17 HydrophobicContact CB-CD2 4.44Å; L15-F17 HydrophobicContact CB-CE2 3.93Å; L15-F17 HydrophobicContact CD1-CE2 4.01Å; L15-F17 HydrophobicContact CD1-CZ 3.95Å; L15-F17 HydrophobicContact CD2-CE2 4.28Å; L15-F17 HydrophobicContact CD2-CZ 4.14Å; L15-F17 HydrophobicContact CG-CE2 4.31Å; L15-F17 HydrophobicContact CG-CZ 4.46Å; F17-V80 HydrophobicContact CE1-CG1 4.32Å; F17-V80 HydrophobicContact CZ-CG1 4.11Å; F17-V80 HydrophobicContact CZ-CG2 4.27Å; F17-E86 CarbonylContact C-O 3.51Å; F17-E86 VanDerWaalsContact CA-O 3.3Å; F17-E86 WeakPolarHBondContact CA-O 3.22Å; F17-E86 HydrophobicContact CD1-CB 4.37Å; F17-V87 HydrophobicContact CD1-CG2 4.3Å; F17-V87 HydrophobicContact CE1-CG2 3.91Å |
| 18 | A | 72.9 | Confident | 62.8 | Low | 46 Ų | 46 | 61.9 Ų | 61.9 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | trans | -78 | 129.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T20 E86 I88 | A18-T20 PolarHBondContact O-N 3.07Å; A18-E86 PolarHBondContact N-O 3.08Å; A18-I88 HydrophobicContact CB-CD1 3.89Å; A18-I88 HydrophobicContact CB-CG1 4.04Å | ||
| 19 | D | 58.3 | Low | 60.5 | Low | 123 Ų | 123 | 66.3 Ų | 66.3 | 66% | 0.658 | 46% | 0.458 | S | S | * | . | trans | -67.2 | 104 | 179.3 | -82 | -51.5 | 0 | 0 | 0 | 112 | A21 A22 | D19-A21 PolarHBondContact O-N 3.2Å; D19-A22 HydrophobicContact CB-CB 4.36Å; D19-A22 PolarHBondContact O-N 2.88Å | ||
| 20 | T | 44.1 | Very low | 57.8 | Low | 138 Ų | 138 | 71.6 Ų | 71.6 | 85% | 0.847 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 3.9 | 176 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | A18 | A18-T20 PolarHBondContact O-N 3.07Š|
| 21 | A | 39 | Very low | 55.1 | Low | 98 Ų | 98 | 74.3 Ų | 74.3 | 81% | 0.81 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -12.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D19 | D19-A21 PolarHBondContact O-N 3.2Š|
| 22 | A | 33.9 | Very low | 52.2 | Low | 59 Ų | 59 | 76 Ų | 76 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | trans | -103.2 | -3.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115 | D19 A24 | D19-A22 HydrophobicContact CB-CB 4.36Å; D19-A22 PolarHBondContact O-N 2.88Å; A22-A24 PolarHBondContact O-N 3.07Å | ||
| 23 | S | 30 | Very low | 49.6 | Very low | 117 Ų | 117 | 79.6 Ų | 79.6 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 8.3 | -167.1 | 56.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 24 | A | 32.2 | Very low | 46.7 | Very low | 100 Ų | 100 | 84.2 Ų | 84.2 | 83% | 0.826 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -15.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A22 | A22-A24 PolarHBondContact O-N 3.07Š|
| 25 | S | 30 | Very low | 43.8 | Very low | 108 Ų | 108 | 88.9 Ų | 88.9 | 76% | 0.755 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -156.2 | 67.4 | -168.8 | 62.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 26 | A | 31.3 | Very low | 41 | Very low | 100 Ų | 100 | 92.5 Ų | 92.5 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | -150.9 | 78.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 27 | S | 29.4 | Very low | 38.6 | Very low | 117 Ų | 117 | 96.7 Ų | 96.7 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -104.1 | 135.9 | 164.1 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 28 | A | 30.8 | Very low | 36.6 | Very low | 96 Ų | 96 | 97.2 Ų | 97.2 | 79% | 0.793 | 73% | 0.725 | S | S | * | * | trans | 73.2 | 158.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 29 | P | 35.9 | Very low | 35.3 | Very low | 107 Ų | 107 | 95.2 Ų | 95.2 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | -132.1 | 164.6 | -50.5 | 37 | -24.6 | 0 | 0 | 0 | 113.3 | A31 | P29-A31 HydrophobicContact CG-CB 4.26Å; P29-A31 PolarHBondContact O-N 3.46Å | |||
| 30 | A | 32.6 | Very low | 34.7 | Very low | 116 Ų | 116 | 93.2 Ų | 93.2 | 96% | 0.959 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -75.6 | 44.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 31 | A | 29.8 | Very low | 35 | Very low | 75 Ų | 75 | 89.7 Ų | 89.7 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | trans | -106.1 | -7.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P29 | P29-A31 HydrophobicContact CG-CB 4.26Å; P29-A31 PolarHBondContact O-N 3.46Å | ||
| 32 | A | 30 | Very low | 36.2 | Very low | 95 Ų | 95 | 86 Ų | 86 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -85 | -5.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A34 | A32-A34 VanDerWaalsContact C-N 3.27Å; A32-A34 PolarHBondContact O-N 2.74Å |
| 33 | A | 35.5 | Very low | 37.4 | Very low | 106 Ų | 106 | 88 Ų | 88 | 88% | 0.876 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -83.4 | 9.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 34 | A | 30.7 | Very low | 39 | Very low | 98 Ų | 98 | 88.1 Ų | 88.1 | 81% | 0.81 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -93.3 | 4.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A32 | A32-A34 VanDerWaalsContact C-N 3.27Å; A32-A34 PolarHBondContact O-N 2.74Å |
| 35 | S | 29.6 | Very low | 40.8 | Very low | 102 Ų | 102 | 88.4 Ų | 88.4 | 71% | 0.713 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -149.5 | 109.7 | -175.7 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 36 | G | 31.3 | Very low | 43.1 | Very low | 76 Ų | 76 | 87 Ų | 87 | 78% | 0.784 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 63.1 | 98.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 37 | D | 38.6 | Very low | 45.7 | Very low | 93 Ų | 93 | 84.1 Ų | 84.1 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | trans | 58 | 111.2 | 168 | -174.1 | 20.5 | 0 | 0 | 0 | 117.3 | G39 P40 | D37-G39 VanDerWaalsContact C-N 3.27Å; D37-G39 PolarHBondContact O-N 3Å; D37-G39 PolarHBondContact OD1-N 3.21Å; D37-P40 WeakPolarHBondContact O-CD 3.27Å | ||
| 38 | P | 42 | Very low | 48.4 | Very low | 72 Ų | 72 | 83.9 Ų | 83.9 | 47% | 0.468 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -73.3 | -13.1 | 173.8 | 32 | -35.9 | 0 | 0 | 0 | 114.4 | A41 V134 | P38-A41 PolarHBondContact O-N 2.57Å; P38-V134 HydrophobicContact CG-CG2 4.07Å |
| 39 | G | 46.5 | Very low | 51.1 | Low | 4 Ų | 4 | 80.5 Ų | 80.5 | 4% | 0.041 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -50.8 | -46.5 | -174 | 0 | 0 | 0 | 0 | 0 | 116.1 | D37 A41 L42 R43 | D37-G39 VanDerWaalsContact C-N 3.27Å; D37-G39 PolarHBondContact O-N 3Å; D37-G39 PolarHBondContact OD1-N 3.21Å; G39-A41 PolarHBondContact O-N 2.9Å; G39-L42 PolarHBondContact O-N 3.21Å; G39-R43 PolarHBondContact O-N 2.73Å |
| 40 | P | 45.5 | Very low | 53.7 | Low | 80 Ų | 80 | 75.4 Ų | 75.4 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -34.2 | -176.2 | -23.9 | 34.8 | 0 | 0 | 0 | 114.2 | D37 L42 T44 | D37-P40 WeakPolarHBondContact O-CD 3.27Å; P40-L42 VanDerWaalsContact C-N 3.34Å; P40-T44 PolarHBondContact O-OG1 3.18Å |
| 41 | A | 51.1 | Low | 56.4 | Low | 65 Ų | 65 | 71 Ų | 71 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -79.9 | -14.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P38 G39 | P38-A41 PolarHBondContact O-N 2.57Å; G39-A41 PolarHBondContact O-N 2.9Å |
| 42 | L | 63.8 | Low | 59.4 | Low | 19 Ų | 19 | 67.4 Ų | 67.4 | 10% | 0.099 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -91.6 | -36.8 | 175 | -68.9 | 172 | 0 | 0 | 0 | 112.1 | G39 P40 T44 W47 L129 L131 V134 F147 | G39-L42 PolarHBondContact O-N 3.21Å; P40-L42 VanDerWaalsContact C-N 3.34Å; L42-T44 VanDerWaalsContact C-N 3.28Å; L42-T44 PolarHBondContact O-N 2.79Å; L42-W47 PolarHBondContact O-NE1 3.44Å; L42-L129 HydrophobicContact CD2-CD1 4.14Å; L42-L131 HydrophobicContact CD1-CD2 3.74Å; L42-L131 HydrophobicContact CD2-CD2 4Å; L42-V134 HydrophobicContact CD1-CG1 4.25Å; L42-F147 HydrophobicContact CB-CD1 4.39Å; L42-F147 HydrophobicContact CB-CD2 3.8Å; L42-F147 HydrophobicContact CB-CE2 4.02Å; L42-F147 HydrophobicContact CB-CG 4.02Å; L42-F147 HydrophobicContact CB-CZ 4.42Å; L42-F147 HydrophobicContact CD1-CB 4.5Å; L42-F147 HydrophobicContact CD1-CD1 4.23Å; L42-F147 HydrophobicContact CD1-CG 4.29Å |
| 43 | R | 59.8 | Low | 62.3 | Low | 103 Ų | 103 | 64.3 Ų | 64.3 | 39% | 0.389 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.2 | -27.4 | 177.3 | -66.7 | -167.8 | -153.9 | -172.9 | 10.6 | 113.9 | G39 R45 E144 R146 F147 | G39-R43 PolarHBondContact O-N 2.73Å; R43-R45 VanDerWaalsContact C-N 3.33Å; R43-R45 PolarHBondContact O-N 3.02Å; R43-E144 IonicContact NH1-OE1 3.57Å; R43-R146 VanDerWaalsContact NH1-CZ 3.27Å; R43-R146 VanDerWaalsContact NH1-NE 3.16Å; R43-R146 VanDerWaalsContact NH1-NH2 3.14Å; R43-F147 HydrophobicContact CG-CD2 3.93Å; R43-F147 HydrophobicContact CG-CE2 4.44Å |
| 44 | T | 61.8 | Low | 64.9 | Low | 119 Ų | 119 | 59.4 Ų | 59.4 | 73% | 0.73 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -0.8 | -174.1 | 41.3 | 0 | 0 | 0 | 0 | 114.7 | P40 L42 | P40-T44 PolarHBondContact O-OG1 3.18Å; L42-T44 VanDerWaalsContact C-N 3.28Å; L42-T44 PolarHBondContact O-N 2.79Å |
| 45 | R | 71.2 | Confident | 67.8 | Low | 106 Ų | 106 | 56.5 Ų | 56.5 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -85.9 | 155 | 178.4 | -62.3 | -168.8 | 178.2 | -142 | 3.1 | 112.4 | L16 R43 W47 | L16-R45 HydrophobicContact CD1-CB 3.79Å; R43-R45 VanDerWaalsContact C-N 3.33Å; R43-R45 PolarHBondContact O-N 3.02Å; R45-W47 VanDerWaalsContact O-CD1 3.27Å; R45-W47 PolarHBondContact O-N 2.65Å |
| 46 | A | 78.7 | Confident | 70.4 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | trans | -75.8 | 66.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 47 | W | 84.2 | Confident | 72.4 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 16% | 0.155 | 30% | 0.302 | C | S | . | . | trans | -62.2 | 141.1 | 172.1 | -67.8 | 95.7 | 0 | 0 | 0 | 111.5 | L14 L15 L16 L42 R45 V89 L91 L145 F147 | L14-W47 HydrophobicContact CB-CE3 3.99Å; L14-W47 HydrophobicContact CB-CZ3 4.27Å; L15-W47 WeakPolarHBondContact O-CA 3.48Å; L16-W47 HydrophobicContact CB-CD2 4.36Å; L16-W47 HydrophobicContact CB-CE3 3.92Å; L16-W47 HydrophobicContact CB-CH2 4.22Å; L16-W47 HydrophobicContact CB-CZ3 3.86Å; L16-W47 HydrophobicContact CD2-CH2 4.48Å; L16-W47 HydrophobicContact CD2-CZ2 4.34Å; L42-W47 PolarHBondContact O-NE1 3.44Å; R45-W47 VanDerWaalsContact O-CD1 3.27Å; R45-W47 PolarHBondContact O-N 2.65Å; W47-V89 HydrophobicContact CH2-CB 4.02Å; W47-V89 HydrophobicContact CH2-CG1 3.9Å; W47-V89 HydrophobicContact CH2-CG2 4.5Å; W47-V89 HydrophobicContact CZ3-CB 4.18Å; W47-V89 HydrophobicContact CZ3-CG1 4.09Å; W47-L91 HydrophobicContact CH2-CD1 3.85Å; W47-L91 HydrophobicContact CH2-CG 4.35Å; W47-L91 HydrophobicContact CZ3-CD1 3.76Å; W47-L91 HydrophobicContact CZ3-CG 4.09Å; W47-L145 HydrophobicContact CB-CD2 4.42Å; W47-L145 HydrophobicContact CD2-CD2 4.37Å; W47-L145 HydrophobicContact CG-CD2 4.09Å; W47-F147 HydrophobicContact CD2-CZ 4.48Å; W47-F147 AromaticContact CE2-CZ 3.59Å; W47-F147 HydrophobicContact CH2-CE1 4.35Å; W47-F147 HydrophobicContact CH2-CZ 4.16Å; W47-F147 AromaticContact CZ2-CE1 3.9Å; W47-F147 HydrophobicContact CZ2-CE1 3.9Å; W47-F147 HydrophobicContact CZ2-CE2 4.38Å; W47-F147 AromaticContact CZ2-CZ 3.42Å; W47-F147 HydrophobicContact CZ2-CZ 3.42Å; W47-F147 VanDerWaalsContact CZ2-CZ 3.42Å; W47-F147 AromaticContact NE1-CE2 3.94Å; W47-F147 AromaticContact NE1-CZ 3.74Å | ||
| 48 | R | 87.1 | Confident | 73.6 | Confident | 112 Ų | 112 | 52.6 Ų | 52.6 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.7 | 171.1 | -66.3 | -171.2 | 178.3 | -137.3 | 1.2 | 110.1 | L15 F69 | L15-R48 HydrophobicContact CB-CB 4.4Å; L15-R48 PolarHBondContact N-O 2.97Å; L15-R48 PolarHBondContact O-N 3.08Å; R48-F69 HydrophobicContact CB-CD1 3.87Å; R48-F69 HydrophobicContact CB-CE1 3.79Å |
| 49 | A | 88.5 | Confident | 74.6 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 21% | 0.207 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 151.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | L13 L14 F69 D70 | L13-A49 WeakPolarHBondContact O-CA 3.41Å; L14-A49 HydrophobicContact CD2-CB 3.78Å; A49-F69 WeakPolarHBondContact O-CD1 2.94Å; A49-D70 HydrophobicContact CB-CB 4.21Å; A49-D70 WeakPolarHBondContact CB-OD2 3.46Å; A49-D70 PolarHBondContact O-N 3.44Å |
| 50 | G | 89.2 | Confident | 75.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | -180 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R12 L13 E68 | R12-G50 CarbonylContact C-O 3.57Å; R12-G50 VanDerWaalsContact CA-O 3.28Å; R12-G50 WeakPolarHBondContact CA-O 3.4Å; L13-G50 PolarHBondContact N-O 2.76Å; L13-G50 PolarHBondContact O-N 2.94Å; L13-G50 VanDerWaalsContact O-N 3.13Å; G50-E68 CarbonylContact C-O 3.56Å; G50-E68 WeakPolarHBondContact CA-O 3.34Å |
| 51 | T | 90.5 | Very high | 76.7 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.6 | 178.1 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | R53 E68 | T51-R53 PolarHBondContact O-N 2.92Å; T51-E68 PolarHBondContact N-O 2.82Å; T51-E68 PolarHBondContact O-N 3.49Å |
| 52 | V | 91.5 | Very high | 77.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 121.8 | 172.3 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | P8 V9 G10 K11 L13 I65 L92 H248 | P8-V52 HydrophobicContact CB-CG2 4.39Å; P8-V52 WeakPolarHBondContact O-CB 3.27Å; P8-V52 WeakPolarHBondContact O-CG2 3.43Å; V9-V52 HydrophobicContact CG2-CG1 4.28Å; G10-V52 PolarHBondContact N-O 3.14Å; G10-V52 VanDerWaalsContact N-O 3.09Å; K11-V52 PolarHBondContact O-N 3.48Å; L13-V52 HydrophobicContact CD2-CG2 3.48Å; L13-V52 VanDerWaalsContact CD2-CG2 3.48Å; V52-I65 HydrophobicContact CG1-CB 4.29Å; V52-I65 HydrophobicContact CG1-CG2 4.36Å; V52-I65 HydrophobicContact CG2-CD1 4.36Å; V52-L92 HydrophobicContact CG2-CD1 4.15Å; V52-H248 PolarHBondContact O-ND1 2.76Å |
| 53 | R | 91.1 | Very high | 78.8 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -26.3 | -179 | -64.4 | -63.2 | -159.9 | -153.6 | -6.5 | 113.7 | T51 F66 E68 Y206 H248 | T51-R53 PolarHBondContact O-N 2.92Å; R53-F66 HydrophobicContact CB-CD1 4.21Å; R53-F66 PolarHBondContact N-O 2.86Å; R53-E68 HydrophobicContact CG-CB 3.7Å; R53-E68 IonicContact CZ-OE1 3.51Å; R53-E68 IonicContact CZ-OE2 2.67Å; R53-E68 VanDerWaalsContact NE-CD 3.33Å; R53-E68 IonicContact NE-OE1 3.61Å; R53-E68 IonicContact NE-OE2 3.51Å; R53-E68 PolarHBondContact NE-OE2 3.18Å; R53-E68 IonicContact NH2-OE1 2.69Å; R53-E68 PolarHBondContact NH2-OE1 2.71Å; R53-E68 IonicContact NH2-OE2 3.91Å; R53-Y206 HydrophobicContact CB-CD1 3.59Å; R53-Y206 HydrophobicContact CB-CD2 4.02Å; R53-Y206 HydrophobicContact CB-CE1 3.55Å; R53-Y206 HydrophobicContact CB-CE2 3.97Å; R53-Y206 HydrophobicContact CB-CG 3.8Å; R53-Y206 VanDerWaalsContact CD-CE2 3.48Å; R53-Y206 HydrophobicContact CG-CD1 4.31Å; R53-Y206 HydrophobicContact CG-CD2 3.95Å; R53-Y206 HydrophobicContact CG-CE1 3.98Å; R53-Y206 HydrophobicContact CG-CE2 3.58Å; R53-Y206 HydrophobicContact CG-CG 4.27Å; R53-H248 PolarHBondContact NH1-CE1 2.88Å; R53-H248 PolarHBondContact NH1-ND1 2.89Å; R53-H248 WeakPolarHBondContact O-CB 3.01Å; R53-H248 PolarHBondContact O-N 3.33Å |
| 54 | A | 90.7 | Very high | 80.1 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 168.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F66 W79 P208 L246 | A54-F66 HydrophobicContact CB-CB 4.03Å; A54-F66 PolarHBondContact O-N 3.4Å; A54-W79 HydrophobicContact CB-CH2 4.19Å; A54-P208 HydrophobicContact CB-CG 3.5Å; A54-L246 CarbonylContact C-O 3.48Å; A54-L246 WeakPolarHBondContact CA-O 3.32Å; A54-L246 WeakPolarHBondContact CB-O 3.49Å |
| 55 | M | 90.3 | Very high | 81.5 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 18% | 0.177 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154.3 | 172.9 | 60.9 | 177.1 | -71.8 | 0 | 0 | 112.6 | P8 V9 L63 A64 I65 R245 L246 | P8-M55 HydrophobicContact CG-SD 3.8Å; V9-M55 HydrophobicContact CG2-CB 4.49Å; V9-M55 HydrophobicContact CG2-CG 3.89Å; V9-M55 HydrophobicContact CG2-SD 4.14Å; M55-L63 HydrophobicContact CE-CD1 3.99Å; M55-A64 CarbonylContact C-O 3.58Å; M55-A64 WeakPolarHBondContact CA-O 3.44Å; M55-I65 HydrophobicContact CB-CG2 4.24Å; M55-R245 VanDerWaalsContact SD-O 3.42Å; M55-L246 HydrophobicContact CE-CD2 4.38Å; M55-L246 HydrophobicContact CG-CD2 3.83Å; M55-L246 PolarHBondContact N-O 3.34Å; M55-L246 HydrophobicContact SD-CD2 4.21Å |
| 56 | S | 85.6 | Confident | 82.5 | Confident | 66 Ų | 66 | 44.3 Ų | 44.3 | 46% | 0.462 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 155.1 | -177.8 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | A64 | S56-A64 PolarHBondContact N-O 2.88Å; S56-A64 PolarHBondContact O-N 3.3Å |
| 57 | G | 73.7 | Confident | 83 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 32% | 0.32 | 24% | 0.235 | S | C | . | . | trans | 95.7 | 127 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 58 | A | 62.5 | Low | 83.2 | Confident | 93 Ų | 93 | 40.9 Ų | 40.9 | 77% | 0.769 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -95.8 | 8.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 59 | V | 64.3 | Low | 83.3 | Confident | 47 Ų | 47 | 36.1 Ų | 36.1 | 29% | 0.285 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -141.2 | 136.6 | -171.2 | -152.5 | 0 | 0 | 0 | 0 | 107.3 | Q61 D62 L63 | V59-Q61 PolarHBondContact O-N 3.12Å; V59-Q61 VanDerWaalsContact O-N 3.09Å; V59-D62 HydrophobicContact CB-CB 4.41Å; V59-D62 WeakPolarHBondContact CG2-OD2 3.47Å; V59-D62 PolarHBondContact O-N 3.15Å; V59-L63 PolarHBondContact O-N 2.95Å |
| 60 | P | 65.8 | Low | 83.1 | Confident | 78 Ų | 78 | 37.5 Ų | 37.5 | 51% | 0.506 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -53.6 | -36.9 | -175.5 | -30.4 | 36.2 | 0 | 0 | 0 | 114.2 | D62 L63 H83 | P60-D62 VanDerWaalsContact C-N 3.26Å; P60-D62 PolarHBondContact O-N 2.98Å; P60-L63 WeakPolarHBondContact O-CB 3.43Å; P60-L63 PolarHBondContact O-N 2.93Å; P60-H83 PolarHBondContact O-CD2 3.41Å |
| 61 | Q | 69.3 | Low | 82.2 | Confident | 150 Ų | 150 | 42 Ų | 42 | 70% | 0.701 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -68.1 | -20.9 | 177.7 | -67.3 | 174.5 | -16.6 | 0 | 0 | 114.5 | V59 | V59-Q61 PolarHBondContact O-N 3.12Å; V59-Q61 VanDerWaalsContact O-N 3.09Å |
| 62 | D | 75.8 | Confident | 80.8 | Confident | 71 Ų | 71 | 43 Ų | 43 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -105.3 | -0.1 | -178.7 | -58.8 | -25.9 | 0 | 0 | 0 | 112.2 | V59 P60 A64 R871 | V59-D62 HydrophobicContact CB-CB 4.41Å; V59-D62 WeakPolarHBondContact CG2-OD2 3.47Å; V59-D62 PolarHBondContact O-N 3.15Å; P60-D62 VanDerWaalsContact C-N 3.26Å; P60-D62 PolarHBondContact O-N 2.98Å; D62-A64 PolarHBondContact O-N 3.03Å; D62-R871 IonicContact OD1-CZ 2.74Å; D62-R871 IonicContact OD1-NH1 3.91Å; D62-R871 PolarHBondContact OD1-NH1 2.73Å; D62-R871 IonicContact OD1-NH2 3.93Å; D62-R871 IonicContact OD2-CZ 3.88Å; D62-R871 IonicContact OD2-NE 3.98Å; D62-R871 IonicContact OD2-NH1 3.43Å; D62-R871 PolarHBondContact OD2-NH1 3.09Å |
| 63 | L | 82.5 | Confident | 79.2 | Confident | 15 Ų | 15 | 49.3 Ų | 49.3 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | trans | -68.5 | 120.1 | -171.5 | -172.1 | 70.3 | 0 | 0 | 0 | 111.4 | M1 M55 V59 P60 V82 | M1-L63 HydrophobicContact CE-CD2 3.44Å; M1-L63 VanDerWaalsContact CE-CD2 3.44Å; M1-L63 HydrophobicContact SD-CD2 3.69Å; M55-L63 HydrophobicContact CE-CD1 3.99Å; V59-L63 PolarHBondContact O-N 2.95Å; P60-L63 WeakPolarHBondContact O-CB 3.43Å; P60-L63 PolarHBondContact O-N 2.93Å; L63-V82 HydrophobicContact CD2-CB 4.27Å; L63-V82 HydrophobicContact CD2-CG1 4.43Å; L63-V82 HydrophobicContact CD2-CG2 3.97Å; L63-V82 HydrophobicContact CG-CB 4.45Å; L63-V82 HydrophobicContact CG-CG2 4Å; L63-V82 PolarHBondContact O-N 3.23Å | ||
| 64 | A | 88.4 | Confident | 77.3 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | M55 S56 D62 W79 V80 K81 | M55-A64 CarbonylContact C-O 3.58Å; M55-A64 WeakPolarHBondContact CA-O 3.44Å; S56-A64 PolarHBondContact N-O 2.88Å; S56-A64 PolarHBondContact O-N 3.3Å; D62-A64 PolarHBondContact O-N 3.03Å; A64-W79 HydrophobicContact CB-CE3 3.91Å; A64-W79 HydrophobicContact CB-CZ3 4.48Å; A64-V80 CarbonylContact C-O 3.5Å; A64-V80 VanDerWaalsContact CA-O 3.31Å; A64-V80 WeakPolarHBondContact CA-O 3.19Å; A64-K81 HydrophobicContact CB-CG 4.35Å |
| 65 | I | 90.9 | Very high | 75.4 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.7 | 175.2 | 55.4 | 171.1 | 0 | 0 | 0 | 109.5 | L13 V52 M55 V67 W79 V80 V82 L90 | L13-I65 HydrophobicContact CD2-CD1 4.03Å; V52-I65 HydrophobicContact CG1-CB 4.29Å; V52-I65 HydrophobicContact CG1-CG2 4.36Å; V52-I65 HydrophobicContact CG2-CD1 4.36Å; M55-I65 HydrophobicContact CB-CG2 4.24Å; I65-V67 HydrophobicContact CD1-CG2 3.79Å; I65-V67 HydrophobicContact CG1-CG2 3.82Å; I65-W79 CarbonylContact O-C 3.47Å; I65-W79 WeakPolarHBondContact O-CA 3.46Å; I65-V80 HydrophobicContact CG1-CB 4.17Å; I65-V80 PolarHBondContact N-O 2.75Å; I65-V80 PolarHBondContact O-N 2.79Å; I65-V82 HydrophobicContact CD1-CG2 4.48Å; I65-V82 HydrophobicContact CG1-CG2 4.18Å; I65-V82 HydrophobicContact CG2-CG2 4.15Å; I65-L90 HydrophobicContact CD1-CD1 4Å |
| 66 | F | 91 | Very high | 74 | Confident | 14 Ų | 14 | 67.4 Ų | 67.4 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 116.8 | 171.7 | -165.9 | -98.3 | 0 | 0 | 0 | 108.7 | R53 A54 H77 S78 W79 Y206 P208 | R53-F66 HydrophobicContact CB-CD1 4.21Å; R53-F66 PolarHBondContact N-O 2.86Å; A54-F66 HydrophobicContact CB-CB 4.03Å; A54-F66 PolarHBondContact O-N 3.4Å; F66-H77 HydrophobicContact CE1-CB 3.64Å; F66-H77 HydrophobicContact CE2-CB 4.41Å; F66-H77 HydrophobicContact CZ-CB 3.51Å; F66-S78 WeakPolarHBondContact CA-O 3.19Å; F66-W79 HydrophobicContact CB-CD2 4.09Å; F66-W79 HydrophobicContact CB-CE3 3.97Å; F66-W79 HydrophobicContact CB-CH2 4.06Å; F66-W79 HydrophobicContact CB-CZ2 4.17Å; F66-W79 HydrophobicContact CB-CZ3 3.95Å; F66-W79 AromaticContact CD2-CD1 3.72Å; F66-W79 AromaticContact CD2-CD2 3.82Å; F66-W79 HydrophobicContact CD2-CD2 3.82Å; F66-W79 AromaticContact CD2-CE2 3.67Å; F66-W79 AromaticContact CD2-CG 3.87Å; F66-W79 HydrophobicContact CD2-CG 3.87Å; F66-W79 HydrophobicContact CD2-CZ2 4.27Å; F66-W79 AromaticContact CD2-NE1 3.59Å; F66-W79 HydrophobicContact CG-CD2 4.47Å; F66-Y206 AromaticContact CD1-CE1 3.93Å; F66-Y206 HydrophobicContact CD1-CE1 3.93Å; F66-Y206 AromaticContact CE1-CE1 3.74Å; F66-Y206 HydrophobicContact CE1-CE1 3.74Å; F66-P208 HydrophobicContact CD1-CB 3.91Å; F66-P208 HydrophobicContact CD1-CG 4.29Å; F66-P208 HydrophobicContact CD2-CB 3.91Å; F66-P208 HydrophobicContact CE1-CB 3.99Å; F66-P208 HydrophobicContact CE2-CB 3.97Å; F66-P208 HydrophobicContact CG-CB 3.85Å; F66-P208 HydrophobicContact CG-CG 4.32Å; F66-P208 HydrophobicContact CZ-CB 4Å; F66-P208 WeakPolarHBondContact CZ-O 3.17Å |
| 67 | V | 89.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.6 | -172.2 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | L13 I65 F69 H77 S78 V80 | L13-V67 HydrophobicContact CD1-CG1 4.37Å; L13-V67 HydrophobicContact CD2-CB 4.43Å; L13-V67 HydrophobicContact CD2-CG1 3.84Å; L13-V67 HydrophobicContact CD2-CG2 3.78Å; L13-V67 HydrophobicContact CG-CG1 4.43Å; I65-V67 HydrophobicContact CD1-CG2 3.79Å; I65-V67 HydrophobicContact CG1-CG2 3.82Å; V67-F69 HydrophobicContact CB-CD2 4.25Å; V67-F69 HydrophobicContact CB-CE2 3.74Å; V67-F69 HydrophobicContact CB-CZ 3.89Å; V67-F69 HydrophobicContact CG1-CD1 3.96Å; V67-F69 HydrophobicContact CG1-CD2 3.93Å; V67-F69 HydrophobicContact CG1-CE1 3.77Å; V67-F69 HydrophobicContact CG1-CE2 3.72Å; V67-F69 HydrophobicContact CG1-CG 4.05Å; V67-F69 HydrophobicContact CG1-CZ 3.65Å; V67-H77 WeakPolarHBondContact O-CA 3.47Å; V67-S78 PolarHBondContact N-O 2.93Å; V67-S78 PolarHBondContact O-N 3.17Å; V67-V80 HydrophobicContact CB-CG2 4.39Å; V67-V80 HydrophobicContact CG2-CB 4.32Å; V67-V80 HydrophobicContact CG2-CG2 3.87Å |
| 68 | E | 88.7 | Confident | 73.8 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 110.4 | 165.3 | -178.1 | 170.8 | 128.2 | 0 | 0 | 108 | G50 T51 R53 H77 Y206 | G50-E68 CarbonylContact C-O 3.56Å; G50-E68 WeakPolarHBondContact CA-O 3.34Å; T51-E68 PolarHBondContact N-O 2.82Å; T51-E68 PolarHBondContact O-N 3.49Å; R53-E68 HydrophobicContact CG-CB 3.7Å; R53-E68 IonicContact CZ-OE1 3.51Å; R53-E68 IonicContact CZ-OE2 2.67Å; R53-E68 VanDerWaalsContact NE-CD 3.33Å; R53-E68 IonicContact NE-OE1 3.61Å; R53-E68 IonicContact NE-OE2 3.51Å; R53-E68 PolarHBondContact NE-OE2 3.18Å; R53-E68 IonicContact NH2-OE1 2.69Å; R53-E68 PolarHBondContact NH2-OE1 2.71Å; R53-E68 IonicContact NH2-OE2 3.91Å; E68-H77 IonicContact OE2-CE1 2.68Å; E68-Y206 WeakPolarHBondContact OE2-CE2 3.49Å; E68-Y206 VanDerWaalsContact OE2-CZ 3.31Å; E68-Y206 PolarHBondContact OE2-OH 3.07Å |
| 69 | F | 88.3 | Confident | 75 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 5% | 0.053 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 137.6 | -172.8 | -73.6 | -82.7 | 0 | 0 | 0 | 112.3 | L15 R48 A49 V67 C72 V80 | L15-F69 HydrophobicContact CD1-CE1 3.97Å; L15-F69 HydrophobicContact CD1-CZ 3.91Å; R48-F69 HydrophobicContact CB-CD1 3.87Å; R48-F69 HydrophobicContact CB-CE1 3.79Å; A49-F69 WeakPolarHBondContact O-CD1 2.94Å; V67-F69 HydrophobicContact CB-CD2 4.25Å; V67-F69 HydrophobicContact CB-CE2 3.74Å; V67-F69 HydrophobicContact CB-CZ 3.89Å; V67-F69 HydrophobicContact CG1-CD1 3.96Å; V67-F69 HydrophobicContact CG1-CD2 3.93Å; V67-F69 HydrophobicContact CG1-CE1 3.77Å; V67-F69 HydrophobicContact CG1-CE2 3.72Å; V67-F69 HydrophobicContact CG1-CG 4.05Å; V67-F69 HydrophobicContact CG1-CZ 3.65Å; F69-C72 HydrophobicContact CB-CB 4.12Å; F69-C72 PolarHBondContact O-N 3.27Å; F69-V80 HydrophobicContact CE2-CG2 4.45Å; F69-V80 HydrophobicContact CZ-CG2 4.07Å |
| 70 | D | 84.9 | Confident | 76.1 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 138.7 | 176.9 | -80.5 | -46.6 | 0 | 0 | 0 | 111 | R12 A49 C72 R143 | R12-D70 IonicContact CZ-OD2 3.74Å; R12-D70 IonicContact NE-OD2 3.84Å; R12-D70 IonicContact NH2-OD2 3.93Å; R12-D70 PolarHBondContact NH2-OD2 2.66Å; A49-D70 HydrophobicContact CB-CB 4.21Å; A49-D70 WeakPolarHBondContact CB-OD2 3.46Å; A49-D70 PolarHBondContact O-N 3.44Å; D70-C72 PolarHBondContact O-N 2.86Å; D70-C72 VanDerWaalsContact O-N 3.13Å; D70-C72 PolarHBondContact O-SG 3.37Å; D70-C72 VanDerWaalsContact O-SG 3.32Å; D70-R143 IonicContact OD1-CZ 3.53Å; D70-R143 IonicContact OD1-NH1 2.76Å; D70-R143 PolarHBondContact OD1-NH1 3.47Å; D70-R143 IonicContact OD2-NH1 2.65Å; D70-R143 PolarHBondContact OD2-NH1 3.1Å |
| 71 | G | 70.2 | Confident | 77.1 | Confident | 93 Ų | 93 | 69.7 Ų | 69.7 | 96% | 0.959 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 5.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 72 | C | 61.9 | Low | 78 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 29% | 0.291 | 32% | 0.322 | S | S | . | . | trans | -102.5 | 143.8 | -175.8 | -61 | 0 | 0 | 0 | 0 | 111.9 | F69 D70 Q76 | F69-C72 HydrophobicContact CB-CB 4.12Å; F69-C72 PolarHBondContact O-N 3.27Å; D70-C72 PolarHBondContact O-N 2.86Å; D70-C72 VanDerWaalsContact O-N 3.13Å; D70-C72 PolarHBondContact O-SG 3.37Å; D70-C72 VanDerWaalsContact O-SG 3.32Å; C72-Q76 HydrophobicContact CB-CB 3.99Å | ||
| 73 | N | 57 | Low | 78.3 | Confident | 133 Ų | 133 | 63.8 Ų | 63.8 | 71% | 0.711 | 33% | 0.325 | S | S | * | . | trans | -67.7 | 154.4 | 169.6 | -77.4 | -44.1 | 0 | 0 | 0 | 110.7 | K75 Q76 | N73-K75 PolarHBondContact O-N 2.97Å; N73-Q76 PolarHBondContact O-N 3.06Å | ||
| 74 | W | 50.9 | Low | 78.4 | Confident | 189 Ų | 189 | 63.8 Ų | 63.8 | 72% | 0.716 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -44.7 | -29.7 | -177.7 | 64.2 | -97.1 | 0 | 0 | 0 | 115.9 | Q76 H77 | W74-Q76 PolarHBondContact O-N 3.22Å; W74-H77 PolarHBondContact O-CD2 2.66Å; W74-H77 PolarHBondContact O-N 2.69Å |
| 75 | K | 50.8 | Low | 78.1 | Confident | 160 Ų | 160 | 72.1 Ų | 72.1 | 70% | 0.696 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -64.8 | -1.9 | 176.3 | -60.3 | -170.9 | 175.9 | -172.7 | 0 | 115.5 | N73 | N73-K75 PolarHBondContact O-N 2.97Š|
| 76 | Q | 61.5 | Low | 77.8 | Confident | 101 Ų | 101 | 77.9 Ų | 77.9 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -116.2 | 7.1 | 179.8 | -100 | 179.1 | -17.1 | 0 | 0 | 114.8 | C72 N73 W74 S78 | C72-Q76 HydrophobicContact CB-CB 3.99Å; N73-Q76 PolarHBondContact O-N 3.06Å; W74-Q76 PolarHBondContact O-N 3.22Å; Q76-S78 PolarHBondContact O-N 3.49Å |
| 77 | H | 73.8 | Confident | 77.5 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | trans | -63.9 | 135.7 | 167.5 | -55.2 | -175 | 0 | 0 | 0 | 108.7 | F66 V67 E68 W74 Y206 | F66-H77 HydrophobicContact CE1-CB 3.64Å; F66-H77 HydrophobicContact CE2-CB 4.41Å; F66-H77 HydrophobicContact CZ-CB 3.51Å; V67-H77 WeakPolarHBondContact O-CA 3.47Å; E68-H77 IonicContact OE2-CE1 2.68Å; W74-H77 PolarHBondContact O-CD2 2.66Å; W74-H77 PolarHBondContact O-N 2.69Å; H77-Y206 PolarHBondContact CE1-OH 3.25Å; H77-Y206 VanDerWaalsContact CE1-OH 3.28Å; H77-Y206 PolarHBondContact ND1-OH 2.84Å | ||
| 78 | S | 81.5 | Confident | 77.5 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 34% | 0.343 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 153.6 | -176.8 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | F66 V67 Q76 V80 | F66-S78 WeakPolarHBondContact CA-O 3.19Å; V67-S78 PolarHBondContact N-O 2.93Å; V67-S78 PolarHBondContact O-N 3.17Å; Q76-S78 PolarHBondContact O-N 3.49Å; S78-V80 PolarHBondContact O-N 2.99Å |
| 79 | W | 87.5 | Confident | 77.5 | Confident | 105 Ų | 105 | 76.7 Ų | 76.7 | 40% | 0.398 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 101 | 169.1 | -76.2 | 107.6 | 0 | 0 | 0 | 110.4 | A54 A64 I65 F66 P208 | A54-W79 HydrophobicContact CB-CH2 4.19Å; A64-W79 HydrophobicContact CB-CE3 3.91Å; A64-W79 HydrophobicContact CB-CZ3 4.48Å; I65-W79 CarbonylContact O-C 3.47Å; I65-W79 WeakPolarHBondContact O-CA 3.46Å; F66-W79 HydrophobicContact CB-CD2 4.09Å; F66-W79 HydrophobicContact CB-CE3 3.97Å; F66-W79 HydrophobicContact CB-CH2 4.06Å; F66-W79 HydrophobicContact CB-CZ2 4.17Å; F66-W79 HydrophobicContact CB-CZ3 3.95Å; F66-W79 AromaticContact CD2-CD1 3.72Å; F66-W79 AromaticContact CD2-CD2 3.82Å; F66-W79 HydrophobicContact CD2-CD2 3.82Å; F66-W79 AromaticContact CD2-CE2 3.67Å; F66-W79 AromaticContact CD2-CG 3.87Å; F66-W79 HydrophobicContact CD2-CG 3.87Å; F66-W79 HydrophobicContact CD2-CZ2 4.27Å; F66-W79 AromaticContact CD2-NE1 3.59Å; F66-W79 HydrophobicContact CG-CD2 4.47Å; W79-P208 HydrophobicContact CZ2-CB 4.24Å; W79-P208 HydrophobicContact CZ2-CG 4.47Å |
| 80 | V | 87.2 | Confident | 77.6 | Confident | 9 Ų | 9 | 76.2 Ų | 76.2 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.4 | 173.5 | -175.7 | 0 | 0 | 0 | 0 | 109 | L15 F17 A64 I65 V67 F69 S78 V82 V87 | L15-V80 HydrophobicContact CD1-CB 4.38Å; L15-V80 HydrophobicContact CD1-CG1 3.97Å; L15-V80 HydrophobicContact CD1-CG2 3.94Å; L15-V80 HydrophobicContact CD2-CG1 4.22Å; F17-V80 HydrophobicContact CE1-CG1 4.32Å; F17-V80 HydrophobicContact CZ-CG1 4.11Å; F17-V80 HydrophobicContact CZ-CG2 4.27Å; A64-V80 CarbonylContact C-O 3.5Å; A64-V80 VanDerWaalsContact CA-O 3.31Å; A64-V80 WeakPolarHBondContact CA-O 3.19Å; I65-V80 HydrophobicContact CG1-CB 4.17Å; I65-V80 PolarHBondContact N-O 2.75Å; I65-V80 PolarHBondContact O-N 2.79Å; V67-V80 HydrophobicContact CB-CG2 4.39Å; V67-V80 HydrophobicContact CG2-CB 4.32Å; V67-V80 HydrophobicContact CG2-CG2 3.87Å; F69-V80 HydrophobicContact CE2-CG2 4.45Å; F69-V80 HydrophobicContact CZ-CG2 4.07Å; S78-V80 PolarHBondContact O-N 2.99Å; V80-V82 PolarHBondContact O-N 3.49Å; V80-V87 HydrophobicContact CG1-CG2 3.97Å |
| 81 | K | 88.2 | Confident | 77.9 | Confident | 145 Ų | 145 | 73.6 Ų | 73.6 | 63% | 0.63 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 113.8 | 169.4 | -73.8 | 177.3 | -178.3 | 173.8 | 0 | 109 | A64 H83 A84 | A64-K81 HydrophobicContact CB-CG 4.35Å; K81-H83 VanDerWaalsContact C-N 3.29Å; K81-H83 PolarHBondContact O-N 2.93Å; K81-A84 HydrophobicContact CB-CB 4.04Å; K81-A84 WeakPolarHBondContact O-CB 3.42Å; K81-A84 PolarHBondContact O-N 3.12Å; K81-A84 VanDerWaalsContact O-N 3.15Å |
| 82 | V | 86.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -45 | -170.8 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | M1 L63 I65 V80 L90 V126 | M1-V82 HydrophobicContact CE-CG1 4.11Å; L63-V82 HydrophobicContact CD2-CB 4.27Å; L63-V82 HydrophobicContact CD2-CG1 4.43Å; L63-V82 HydrophobicContact CD2-CG2 3.97Å; L63-V82 HydrophobicContact CG-CB 4.45Å; L63-V82 HydrophobicContact CG-CG2 4Å; L63-V82 PolarHBondContact O-N 3.23Å; I65-V82 HydrophobicContact CD1-CG2 4.48Å; I65-V82 HydrophobicContact CG1-CG2 4.18Å; I65-V82 HydrophobicContact CG2-CG2 4.15Å; V80-V82 PolarHBondContact O-N 3.49Å; V82-L90 HydrophobicContact CB-CD1 4.47Å; V82-L90 HydrophobicContact CG1-CD1 4.2Å; V82-L90 HydrophobicContact CG2-CD1 4.24Å; V82-V126 HydrophobicContact CG1-CG2 3.66Å |
| 83 | H | 83.6 | Confident | 80.3 | Confident | 95 Ų | 95 | 68.1 Ų | 68.1 | 44% | 0.44 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 23.2 | -176.5 | -62.1 | -83.8 | 0 | 0 | 0 | 114.3 | P60 K81 | P60-H83 PolarHBondContact O-CD2 3.41Å; K81-H83 VanDerWaalsContact C-N 3.29Å; K81-H83 PolarHBondContact O-N 2.93Å |
| 84 | A | 84.2 | Confident | 81.7 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 12% | 0.124 | 29% | 0.289 | C | S | . | . | trans | -62.1 | 155.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | K81 E86 V87 K128 | K81-A84 HydrophobicContact CB-CB 4.04Å; K81-A84 WeakPolarHBondContact O-CB 3.42Å; K81-A84 PolarHBondContact O-N 3.12Å; K81-A84 VanDerWaalsContact O-N 3.15Å; A84-E86 HydrophobicContact CB-CB 4.36Å; A84-E86 PolarHBondContact O-N 3.46Å; A84-V87 HydrophobicContact CB-CG2 4.41Å; A84-V87 PolarHBondContact O-N 3.28Å; A84-K128 PolarHBondContact O-NZ 2.89Å | ||
| 85 | E | 81.8 | Confident | 83.5 | Confident | 188 Ų | 188 | 54.8 Ų | 54.8 | 88% | 0.879 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -38.4 | 173.2 | -67.3 | -171.7 | 149.2 | 0 | 0 | 111.1 | V87 K128 | E85-V87 VanDerWaalsContact C-N 3.29Å; E85-V87 PolarHBondContact O-N 3.28Å; E85-K128 PolarHBondContact O-NZ 3.47Å |
| 86 | E | 84.4 | Confident | 85.5 | Confident | 125 Ų | 125 | 47.6 Ų | 47.6 | 58% | 0.584 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -31.5 | 179.3 | -58.5 | 163.9 | -97.9 | 0 | 0 | 114.7 | F17 A18 A84 I88 | F17-E86 CarbonylContact C-O 3.51Å; F17-E86 VanDerWaalsContact CA-O 3.3Å; F17-E86 WeakPolarHBondContact CA-O 3.22Å; F17-E86 HydrophobicContact CD1-CB 4.37Å; A18-E86 PolarHBondContact N-O 3.08Å; A84-E86 HydrophobicContact CB-CB 4.36Å; A84-E86 PolarHBondContact O-N 3.46Å; E86-I88 PolarHBondContact O-N 3.03Å |
| 87 | V | 85.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 109.5 | -177.7 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | L15 F17 V80 A84 E85 L90 V126 K128 | L15-V87 HydrophobicContact CD2-CG1 3.79Å; L15-V87 HydrophobicContact CD2-CG2 4.18Å; F17-V87 HydrophobicContact CD1-CG2 4.3Å; F17-V87 HydrophobicContact CE1-CG2 3.91Å; V80-V87 HydrophobicContact CG1-CG2 3.97Å; A84-V87 HydrophobicContact CB-CG2 4.41Å; A84-V87 PolarHBondContact O-N 3.28Å; E85-V87 VanDerWaalsContact C-N 3.29Å; E85-V87 PolarHBondContact O-N 3.28Å; V87-L90 HydrophobicContact CG1-CB 4.04Å; V87-V126 HydrophobicContact CG1-CG1 4.37Å; V87-K128 WeakPolarHBondContact O-CD 3.29Å; V87-K128 WeakPolarHBondContact O-CE 3.34Å; V87-K128 PolarHBondContact O-NZ 2.95Å |
| 88 | I | 88.4 | Confident | 87.8 | Confident | 35 Ų | 35 | 41 Ų | 41 | 18% | 0.179 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -48.6 | 177.7 | -56.8 | -177.6 | 0 | 0 | 0 | 110.3 | L16 A18 E86 K128 L129 | L16-I88 HydrophobicContact CD2-CB 4.34Å; L16-I88 HydrophobicContact CD2-CG2 4.33Å; L16-I88 HydrophobicContact CG-CB 4.34Å; L16-I88 PolarHBondContact O-N 3.29Å; A18-I88 HydrophobicContact CB-CD1 3.89Å; A18-I88 HydrophobicContact CB-CG1 4.04Å; E86-I88 PolarHBondContact O-N 3.03Å; I88-K128 HydrophobicContact CG2-CB 4.24Å; I88-K128 VanDerWaalsContact O-CB 3.31Å; I88-K128 WeakPolarHBondContact O-CB 3.48Å; I88-K128 WeakPolarHBondContact O-CG 3.42Å; I88-K128 PolarHBondContact O-N 3.49Å; I88-L129 HydrophobicContact CG2-CD1 4.24Å; I88-L129 HydrophobicContact CG2-CD2 4.28Å; I88-L129 HydrophobicContact CG2-CG 3.76Å |
| 89 | V | 88.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.2 | 175.7 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | L16 W47 L91 V126 L129 L131 | L16-V89 HydrophobicContact CB-CB 4.14Å; L16-V89 HydrophobicContact CD2-CG2 4.33Å; L16-V89 PolarHBondContact N-O 3.37Å; L16-V89 PolarHBondContact O-N 3.37Å; W47-V89 HydrophobicContact CH2-CB 4.02Å; W47-V89 HydrophobicContact CH2-CG1 3.9Å; W47-V89 HydrophobicContact CH2-CG2 4.5Å; W47-V89 HydrophobicContact CZ3-CB 4.18Å; W47-V89 HydrophobicContact CZ3-CG1 4.09Å; V89-L91 HydrophobicContact CG1-CD2 3.45Å; V89-L91 VanDerWaalsContact CG1-CD2 3.45Å; V89-L91 HydrophobicContact CG1-CG 3.77Å; V89-V126 CarbonylContact C-O 3.48Å; V89-V126 VanDerWaalsContact CA-O 3.29Å; V89-V126 WeakPolarHBondContact CA-O 3.14Å; V89-V126 WeakPolarHBondContact CG1-O 3.34Å; V89-L129 HydrophobicContact CG2-CB 4.17Å; V89-L129 HydrophobicContact CG2-CD1 3.82Å; V89-L129 HydrophobicContact CG2-CG 4.05Å; V89-L131 HydrophobicContact CG1-CD1 4.03Å |
| 90 | L | 90.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 110.3 | 168.6 | -161.9 | 165.8 | 0 | 0 | 0 | 107.9 | L15 I65 V82 V87 L92 L125 V126 | L15-L90 HydrophobicContact CD2-CB 4.09Å; L15-L90 HydrophobicContact CD2-CD1 3.91Å; L15-L90 HydrophobicContact CD2-CG 3.79Å; L15-L90 HydrophobicContact CG-CD1 4.46Å; L15-L90 HydrophobicContact CG-CG 4.13Å; I65-L90 HydrophobicContact CD1-CD1 4Å; V82-L90 HydrophobicContact CB-CD1 4.47Å; V82-L90 HydrophobicContact CG1-CD1 4.2Å; V82-L90 HydrophobicContact CG2-CD1 4.24Å; V87-L90 HydrophobicContact CG1-CB 4.04Å; L90-L92 HydrophobicContact CD2-CD1 4.27Å; L90-L125 HydrophobicContact CD2-CB 4.3Å; L90-L125 HydrophobicContact CD2-CD1 4.15Å; L90-L125 PolarHBondContact O-N 3.34Å; L90-V126 HydrophobicContact CB-CB 4.02Å; L90-V126 HydrophobicContact CB-CG2 4.41Å; L90-V126 PolarHBondContact N-O 3.03Å; L90-V126 PolarHBondContact O-N 2.89Å; L90-V126 VanDerWaalsContact O-N 3.16Å |
| 91 | L | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 144.6 | 175.3 | -45.1 | 172.2 | 0 | 0 | 0 | 109.7 | L13 L14 W47 V89 F122 T123 P124 L131 P136 | L13-L91 CarbonylContact C-O 3.58Å; L13-L91 VanDerWaalsContact CA-O 3.22Å; L13-L91 WeakPolarHBondContact CA-O 3.47Å; L13-L91 WeakPolarHBondContact CB-O 2.84Å; L14-L91 HydrophobicContact CB-CB 4.16Å; L14-L91 HydrophobicContact CB-CD1 4.12Å; L14-L91 HydrophobicContact CB-CG 4.42Å; L14-L91 HydrophobicContact CD1-CD1 4.01Å; L14-L91 PolarHBondContact N-O 2.99Å; L14-L91 PolarHBondContact O-N 3.08Å; W47-L91 HydrophobicContact CH2-CD1 3.85Å; W47-L91 HydrophobicContact CH2-CG 4.35Å; W47-L91 HydrophobicContact CZ3-CD1 3.76Å; W47-L91 HydrophobicContact CZ3-CG 4.09Å; V89-L91 HydrophobicContact CG1-CD2 3.45Å; V89-L91 VanDerWaalsContact CG1-CD2 3.45Å; V89-L91 HydrophobicContact CG1-CG 3.77Å; L91-F122 HydrophobicContact CB-CB 3.85Å; L91-F122 HydrophobicContact CB-CD1 4.47Å; L91-F122 HydrophobicContact CD1-CB 4.46Å; L91-T123 CarbonylContact C-O 3.6Å; L91-T123 WeakPolarHBondContact CA-O 3.35Å; L91-P124 HydrophobicContact CD2-CB 3.88Å; L91-L131 HydrophobicContact CD2-CD1 3.87Å; L91-P136 HydrophobicContact CD1-CB 3.8Å; L91-P136 HydrophobicContact CD1-CG 3.63Å; L91-P136 HydrophobicContact CD2-CG 4.31Å |
| 92 | L | 91.5 | Very high | 87.7 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147.7 | 178.4 | -147.7 | 93.2 | 0 | 0 | 0 | 112 | P8 K11 L13 V52 L90 G94 F122 T123 L125 | P8-L92 HydrophobicContact CB-CD1 4.2Å; P8-L92 HydrophobicContact CB-CD2 3.74Å; K11-L92 HydrophobicContact CB-CD2 4.08Å; K11-L92 HydrophobicContact CB-CG 4.3Å; K11-L92 HydrophobicContact CD-CD2 3.69Å; K11-L92 HydrophobicContact CG-CD2 4.47Å; L13-L92 HydrophobicContact CB-CD1 3.82Å; V52-L92 HydrophobicContact CG2-CD1 4.15Å; L90-L92 HydrophobicContact CD2-CD1 4.27Å; L92-G94 PolarHBondContact O-N 3.19Å; L92-F122 CarbonylContact O-C 3.6Å; L92-F122 WeakPolarHBondContact O-CA 3.47Å; L92-T123 PolarHBondContact N-O 3.48Å; L92-T123 PolarHBondContact O-N 2.86Å; L92-T123 PolarHBondContact O-OG1 3.36Å; L92-L125 HydrophobicContact CB-CD1 3.71Å; L92-L125 HydrophobicContact CB-CG 4.12Å; L92-L125 HydrophobicContact CD1-CD1 3.9Å; L92-L125 HydrophobicContact CD2-CD1 4.12Å; L92-L125 HydrophobicContact CG-CD1 4.11Å |
| 93 | E | 91.1 | Very high | 87.4 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 123.2 | -178.2 | -167.7 | -173.5 | 140.1 | 0 | 0 | 113.4 | K11 R12 L120 Q185 | K11-E93 HydrophobicContact CB-CB 3.99Å; K11-E93 HydrophobicContact CD-CB 4.29Å; K11-E93 HydrophobicContact CG-CB 4.33Å; K11-E93 PolarHBondContact NZ-O 3.2Å; R12-E93 HydrophobicContact CB-CB 4.48Å; R12-E93 PolarHBondContact N-OE2 2.76Å; R12-E93 WeakPolarHBondContact O-CB 3.36Å; R12-E93 PolarHBondContact O-N 3.42Å; E93-L120 HydrophobicContact CG-CD1 4.25Å; E93-L120 HydrophobicContact CG-CD2 3.77Å; E93-Q185 PolarHBondContact OE1-NE2 2.72Å |
| 94 | G | 87.9 | Confident | 87.1 | Confident | 16 Ų | 16 | 39 Ų | 39 | 17% | 0.165 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -117.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L92 T121 | L92-G94 PolarHBondContact O-N 3.19Å; G94-T121 WeakPolarHBondContact CA-O 3.45Å; G94-T121 PolarHBondContact N-O 3.19Å |
| 95 | S | 88.2 | Confident | 86.8 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 149.9 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | T121 | S95-T121 PolarHBondContact N-OG1 2.73Å; S95-T121 PolarHBondContact O-N 3.4Å; S95-T121 PolarHBondContact O-OG1 3.41Å |
| 96 | L | 91.5 | Very high | 86.4 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 130 | 162.3 | 179.3 | 67.1 | 0 | 0 | 0 | 109.6 | P118 L140 F157 V178 L181 I182 | L96-P118 HydrophobicContact CD1-CB 4.49Å; L96-L140 HydrophobicContact CD1-CD1 3.79Å; L96-L140 HydrophobicContact CD1-CG 4.39Å; L96-F157 HydrophobicContact CB-CB 4.23Å; L96-F157 HydrophobicContact CD2-CB 3.84Å; L96-F157 HydrophobicContact CD2-CD1 3.65Å; L96-F157 HydrophobicContact CD2-CD2 4.11Å; L96-F157 HydrophobicContact CD2-CE1 4.26Å; L96-F157 HydrophobicContact CD2-CG 3.59Å; L96-F157 HydrophobicContact CG-CB 3.69Å; L96-F157 HydrophobicContact CG-CD1 4.45Å; L96-F157 HydrophobicContact CG-CD2 4.39Å; L96-F157 HydrophobicContact CG-CG 3.94Å; L96-F157 WeakPolarHBondContact O-CB 3.23Å; L96-F157 PolarHBondContact O-N 2.85Å; L96-F157 VanDerWaalsContact O-N 3.11Å; L96-V178 HydrophobicContact CD2-CG1 4.25Å; L96-L181 HydrophobicContact CB-CD2 4.47Å; L96-L181 HydrophobicContact CD1-CD2 3.91Å; L96-L181 HydrophobicContact CD2-CD2 4.31Å; L96-L181 HydrophobicContact CG-CD2 4.46Å; L96-I182 HydrophobicContact CD2-CD1 3.77Å; L96-I182 HydrophobicContact CD2-CG1 4.07Å |
| 97 | V | 92.2 | Very high | 85.6 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 160 | -177.9 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | A99 P118 A119 T121 V137 L154 H155 | V97-A99 HydrophobicContact CG2-CB 4.3Å; V97-P118 CarbonylContact O-C 3.54Å; V97-P118 WeakPolarHBondContact O-CA 3.37Å; V97-A119 HydrophobicContact CG2-CB 4.43Å; V97-A119 WeakPolarHBondContact CG2-O 3.27Å; V97-A119 PolarHBondContact N-O 2.8Å; V97-A119 PolarHBondContact O-N 2.9Å; V97-T121 HydrophobicContact CB-CG2 4.45Å; V97-T121 HydrophobicContact CG1-CG2 3.84Å; V97-T121 HydrophobicContact CG2-CG2 3.7Å; V97-V137 HydrophobicContact CG2-CG1 4.19Å; V97-L154 HydrophobicContact CG2-CD2 4.09Å; V97-H155 CarbonylContact C-O 3.54Å; V97-H155 WeakPolarHBondContact CA-O 3.36Å; V97-H155 VanDerWaalsContact CB-O 3.31Å; V97-H155 WeakPolarHBondContact CB-O 3.4Å |
| 98 | W | 91.6 | Very high | 84.7 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.3 | 153.4 | -62.8 | 98.4 | 0 | 0 | 0 | 108.8 | Q116 P118 L154 H155 F157 D162 N165 I167 | W98-Q116 HydrophobicContact CB-CB 4.34Å; W98-Q116 HydrophobicContact CE3-CB 4.28Å; W98-P118 HydrophobicContact CE3-CG 4.15Å; W98-P118 HydrophobicContact CH2-CG 3.95Å; W98-P118 HydrophobicContact CZ3-CG 3.65Å; W98-L154 WeakPolarHBondContact O-CA 3.42Å; W98-H155 HydrophobicContact CB-CB 4.31Å; W98-H155 PolarHBondContact N-O 3.24Å; W98-H155 PolarHBondContact O-N 2.94Å; W98-H155 VanDerWaalsContact O-N 3.09Å; W98-F157 HydrophobicContact CD2-CD2 4.46Å; W98-F157 AromaticContact CE2-CD2 3.64Å; W98-F157 AromaticContact CE2-CE2 3.84Å; W98-F157 HydrophobicContact CH2-CE2 4.24Å; W98-F157 AromaticContact CZ2-CD2 3.79Å; W98-F157 HydrophobicContact CZ2-CD2 3.79Å; W98-F157 AromaticContact CZ2-CE2 3.47Å; W98-F157 HydrophobicContact CZ2-CE2 3.47Å; W98-F157 VanDerWaalsContact CZ2-CE2 3.47Å; W98-F157 AromaticContact NE1-CD2 3.5Å; W98-D162 HydrophobicContact CZ2-CB 4.1Å; W98-D162 PolarHBondContact NE1-OD2 2.93Å; W98-N165 HydrophobicContact CH2-CB 3.98Å; W98-N165 WeakPolarHBondContact CH2-ND2 3.26Å; W98-N165 HydrophobicContact CZ2-CB 3.95Å; W98-N165 VanDerWaalsContact CZ2-ND2 3.28Å; W98-N165 WeakPolarHBondContact CZ2-ND2 3.4Å; W98-I167 HydrophobicContact CH2-CG2 3.67Å; W98-I167 HydrophobicContact CZ3-CG2 3.85Å |
| 99 | A | 90.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V97 R101 Q116 W117 A119 V137 Y139 L154 | V97-A99 HydrophobicContact CG2-CB 4.3Å; A99-R101 PolarHBondContact O-N 3.5Å; A99-Q116 WeakPolarHBondContact O-CA 3.41Å; A99-W117 PolarHBondContact N-O 3.41Å; A99-W117 PolarHBondContact O-N 2.84Å; A99-A119 HydrophobicContact CB-CB 3.78Å; A99-V137 HydrophobicContact CB-CG1 4.29Å; A99-Y139 HydrophobicContact CB-CE1 3.91Å; A99-L154 HydrophobicContact CB-CD2 3.54Å |
| 100 | P | 88.8 | Confident | 82.6 | Confident | 49 Ų | 49 | 46.3 Ų | 46.3 | 32% | 0.318 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 121.8 | -173.2 | 28.1 | -33.9 | 0 | 0 | 0 | 112.1 | A115 Y139 L148 | P100-A115 WeakPolarHBondContact CA-O 3.21Å; P100-Y139 PolarHBondContact O-OH 2.89Å; P100-L148 HydrophobicContact CG-CD1 4.39Å |
| 101 | R | 86.4 | Confident | 81.6 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 6% | 0.06 | 29% | 0.293 | C | S | . | . | trans | -126 | 121.3 | -174.8 | -166.5 | 172.6 | -167.2 | 162.3 | 10.8 | 111.8 | A99 A115 W117 Y139 D142 E144 | A99-R101 PolarHBondContact O-N 3.5Å; R101-A115 PolarHBondContact N-O 3.01Å; R101-W117 HydrophobicContact CB-CB 4.06Å; R101-Y139 HydrophobicContact CB-CE1 4.05Å; R101-Y139 HydrophobicContact CG-CE1 4.29Å; R101-Y139 HydrophobicContact CG-CE2 4.24Å; R101-D142 IonicContact CZ-OD1 2.71Å; R101-D142 IonicContact CZ-OD2 3.55Å; R101-D142 IonicContact NH1-OD1 3.41Å; R101-D142 PolarHBondContact NH1-OD1 2.99Å; R101-D142 IonicContact NH1-OD2 3.53Å; R101-D142 PolarHBondContact NH1-OD2 3.12Å; R101-D142 IonicContact NH2-OD1 3.42Å; R101-D142 IonicContact NH2-OD2 3.51Å; R101-D142 PolarHBondContact NH2-OD2 2.96Å; R101-E144 IonicContact CZ-OE2 3.54Å; R101-E144 IonicContact NE-OE2 3.07Å; R101-E144 IonicContact NH2-OE2 2.7Å; R101-E144 PolarHBondContact NH2-OE2 3.39Å | ||
| 102 | E | 77.7 | Confident | 80.6 | Confident | 178 Ų | 178 | 56 Ų | 56 | 83% | 0.832 | 30% | 0.297 | S | S | * | . | trans | -94 | -22.3 | 177.7 | -58.6 | -158.5 | 151.7 | 0 | 0 | 113.1 | ||||
| 103 | D | 80.6 | Confident | 79.6 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -90.8 | 124.9 | -168.8 | -42.7 | -121.5 | 0 | 0 | 0 | 110.6 | V105 R146 | D103-V105 PolarHBondContact O-N 3.29Å; D103-R146 IonicContact OD1-CZ 2.77Å; D103-R146 IonicContact OD1-NH1 3.16Å; D103-R146 IonicContact OD1-NH2 3.91Å; D103-R146 PolarHBondContact OD1-NH2 3.4Å; D103-R146 IonicContact OD2-CZ 3.41Å; D103-R146 IonicContact OD2-NH1 3.63Å; D103-R146 PolarHBondContact OD2-NH1 3.06Å; D103-R146 IonicContact OD2-NH2 3.6Å; D103-R146 PolarHBondContact OD2-NH2 3.2Å |
| 104 | P | 77.1 | Confident | 78.8 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 123.3 | -173.3 | 27.5 | -34.6 | 0 | 0 | 0 | 112.1 | R111 V112 | P104-R111 HydrophobicContact CB-CB 4.36Å; P104-R111 HydrophobicContact CB-CG 4.41Å; P104-V112 CarbonylContact C-O 3.49Å; P104-V112 VanDerWaalsContact CA-O 3.3Å; P104-V112 WeakPolarHBondContact CA-O 3.43Å |
| 105 | V | 76.1 | Confident | 78.4 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 139 | -177.3 | -164.9 | 0 | 0 | 0 | 0 | 110.4 | D103 L107 R111 V112 W117 | D103-V105 PolarHBondContact O-N 3.29Å; V105-L107 HydrophobicContact CG1-CD2 4Å; V105-L107 HydrophobicContact CG1-CG 4.09Å; V105-L107 PolarHBondContact O-N 3.49Å; V105-R111 WeakPolarHBondContact O-CA 3.36Å; V105-V112 PolarHBondContact N-O 3.28Å; V105-V112 PolarHBondContact O-N 3.23Å; V105-W117 HydrophobicContact CB-CH2 3.57Å; V105-W117 HydrophobicContact CB-CZ2 3.91Å; V105-W117 HydrophobicContact CB-CZ3 3.92Å; V105-W117 HydrophobicContact CG1-CH2 3.87Å; V105-W117 HydrophobicContact CG1-CZ2 3.72Å; V105-W117 HydrophobicContact CG2-CD2 3.89Å; V105-W117 HydrophobicContact CG2-CE3 3.68Å; V105-W117 HydrophobicContact CG2-CH2 3.55Å; V105-W117 HydrophobicContact CG2-CZ2 3.76Å; V105-W117 HydrophobicContact CG2-CZ3 3.48Å; V105-W117 VanDerWaalsContact CG2-CZ3 3.48Å |
| 106 | L | 74.5 | Confident | 78.3 | Confident | 118 Ų | 118 | 67.7 Ų | 67.7 | 62% | 0.618 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 79 | -177.9 | -158 | 80.1 | 0 | 0 | 0 | 111.6 | I110 R111 | L106-I110 CarbonylContact C-O 3.51Å; L106-I110 WeakPolarHBondContact CA-O 3.21Å; L106-R111 HydrophobicContact CD1-CG 3.8Å |
| 107 | L | 67.5 | Low | 78.2 | Confident | 24 Ų | 24 | 67.3 Ų | 67.3 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.1 | 178.9 | -64.4 | -171.3 | 0 | 0 | 0 | 111.2 | V105 G109 I110 V112 W117 L141 H171 | V105-L107 HydrophobicContact CG1-CD2 4Å; V105-L107 HydrophobicContact CG1-CG 4.09Å; V105-L107 PolarHBondContact O-N 3.49Å; L107-G109 PolarHBondContact O-N 3.01Å; L107-I110 PolarHBondContact N-O 2.95Å; L107-I110 WeakPolarHBondContact O-CB 3.22Å; L107-I110 PolarHBondContact O-N 3.31Å; L107-V112 HydrophobicContact CB-CG2 4.22Å; L107-V112 HydrophobicContact CD1-CG2 4.41Å; L107-V112 HydrophobicContact CG-CG2 4.42Å; L107-W117 HydrophobicContact CD1-CH2 3.7Å; L107-W117 HydrophobicContact CD1-CZ2 3.97Å; L107-W117 HydrophobicContact CG-CH2 4.24Å; L107-W117 HydrophobicContact CG-CZ2 4.47Å; L107-L141 HydrophobicContact CD1-CD1 4.12Å; L107-L141 HydrophobicContact CD2-CB 4.48Å; L107-L141 HydrophobicContact CD2-CD1 3.61Å; L107-H171 HydrophobicContact CD1-CB 4.22Å |
| 108 | Q | 66 | Low | 78.2 | Confident | 192 Ų | 192 | 66.8 Ų | 66.8 | 90% | 0.897 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 28.8 | 178.7 | -60.6 | -178.3 | -13.6 | 0 | 0 | 114.1 | ||
| 109 | G | 67.8 | Low | 78.3 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 66% | 0.66 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | -7.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L107 | L107-G109 PolarHBondContact O-N 3.01Š|
| 110 | I | 66.1 | Low | 78.3 | Confident | 113 Ų | 113 | 66.5 Ų | 66.5 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 137 | 173.4 | -56.7 | 177.2 | 0 | 0 | 0 | 108.8 | L106 L107 V112 | L106-I110 CarbonylContact C-O 3.51Å; L106-I110 WeakPolarHBondContact CA-O 3.21Å; L107-I110 PolarHBondContact N-O 2.95Å; L107-I110 WeakPolarHBondContact O-CB 3.22Å; L107-I110 PolarHBondContact O-N 3.31Å; I110-V112 HydrophobicContact CG2-CG2 4.44Å |
| 111 | R | 69.5 | Low | 78.5 | Confident | 191 Ų | 191 | 64.9 Ų | 64.9 | 72% | 0.721 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 118.6 | 168 | -84.4 | -172.8 | 171.3 | -169 | -3.9 | 109.7 | P104 V105 L106 | P104-R111 HydrophobicContact CB-CB 4.36Å; P104-R111 HydrophobicContact CB-CG 4.41Å; V105-R111 WeakPolarHBondContact O-CA 3.36Å; L106-R111 HydrophobicContact CD1-CG 3.8Å |
| 112 | V | 70 | Confident | 78.7 | Confident | 15 Ų | 15 | 64.5 Ų | 64.5 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125 | 177.4 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | P104 V105 L107 I110 I114 W117 H171 | P104-V112 CarbonylContact C-O 3.49Å; P104-V112 VanDerWaalsContact CA-O 3.3Å; P104-V112 WeakPolarHBondContact CA-O 3.43Å; V105-V112 PolarHBondContact N-O 3.28Å; V105-V112 PolarHBondContact O-N 3.23Å; L107-V112 HydrophobicContact CB-CG2 4.22Å; L107-V112 HydrophobicContact CD1-CG2 4.41Å; L107-V112 HydrophobicContact CG-CG2 4.42Å; I110-V112 HydrophobicContact CG2-CG2 4.44Å; V112-I114 HydrophobicContact CG1-CD1 3.72Å; V112-I114 HydrophobicContact CG1-CG1 4.07Å; V112-W117 HydrophobicContact CB-CH2 4.37Å; V112-W117 HydrophobicContact CB-CZ3 4.27Å; V112-W117 HydrophobicContact CG1-CH2 4.27Å; V112-W117 HydrophobicContact CG1-CZ3 3.9Å; V112-H171 WeakPolarHBondContact CG2-NE2 3.39Å |
| 113 | S | 70.1 | Confident | 79.3 | Confident | 98 Ų | 98 | 58.5 Ų | 58.5 | 69% | 0.685 | 33% | 0.327 | S | S | * | . | trans | -126.2 | 98.1 | -176.3 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 114 | I | 73.9 | Confident | 79.5 | Confident | 62 Ų | 62 | 59 Ų | 59 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | trans | -134.5 | 131.6 | -176.3 | -65.5 | 172.2 | 0 | 0 | 0 | 107.3 | V112 Q116 I167 | V112-I114 HydrophobicContact CG1-CD1 3.72Å; V112-I114 HydrophobicContact CG1-CG1 4.07Å; I114-Q116 WeakPolarHBondContact CG2-O 3.46Å; I114-Q116 PolarHBondContact O-N 3.13Å; I114-Q116 VanDerWaalsContact O-N 3.12Å; I114-I167 HydrophobicContact CD1-CB 4.07Å; I114-I167 HydrophobicContact CD1-CD1 3.67Å; I114-I167 HydrophobicContact CD1-CG1 3.69Å | ||
| 115 | A | 80 | Confident | 79.9 | Confident | 78 Ų | 78 | 59.1 Ų | 59.1 | 65% | 0.645 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -64.1 | -20 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P100 R101 | P100-A115 WeakPolarHBondContact CA-O 3.21Å; R101-A115 PolarHBondContact N-O 3.01Å |
| 116 | Q | 86.3 | Confident | 80.4 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.1 | 175.6 | -69.9 | -176.9 | -10.6 | 0 | 0 | 110.5 | W98 A99 I114 H155 | W98-Q116 HydrophobicContact CB-CB 4.34Å; W98-Q116 HydrophobicContact CE3-CB 4.28Å; A99-Q116 WeakPolarHBondContact O-CA 3.41Å; I114-Q116 WeakPolarHBondContact CG2-O 3.46Å; I114-Q116 PolarHBondContact O-N 3.13Å; I114-Q116 VanDerWaalsContact O-N 3.12Å; Q116-H155 PolarHBondContact NE2-CD2 2.97Å; Q116-H155 PolarHBondContact NE2-NE2 2.82Å |
| 117 | W | 90.2 | Very high | 81 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.1 | -178.4 | -160.3 | -90.5 | 0 | 0 | 0 | 110.8 | A99 R101 V105 L107 V112 A119 Y139 L140 I167 L174 | A99-W117 PolarHBondContact N-O 3.41Å; A99-W117 PolarHBondContact O-N 2.84Å; R101-W117 HydrophobicContact CB-CB 4.06Å; V105-W117 HydrophobicContact CB-CH2 3.57Å; V105-W117 HydrophobicContact CB-CZ2 3.91Å; V105-W117 HydrophobicContact CB-CZ3 3.92Å; V105-W117 HydrophobicContact CG1-CH2 3.87Å; V105-W117 HydrophobicContact CG1-CZ2 3.72Å; V105-W117 HydrophobicContact CG2-CD2 3.89Å; V105-W117 HydrophobicContact CG2-CE3 3.68Å; V105-W117 HydrophobicContact CG2-CH2 3.55Å; V105-W117 HydrophobicContact CG2-CZ2 3.76Å; V105-W117 HydrophobicContact CG2-CZ3 3.48Å; V105-W117 VanDerWaalsContact CG2-CZ3 3.48Å; L107-W117 HydrophobicContact CD1-CH2 3.7Å; L107-W117 HydrophobicContact CD1-CZ2 3.97Å; L107-W117 HydrophobicContact CG-CH2 4.24Å; L107-W117 HydrophobicContact CG-CZ2 4.47Å; V112-W117 HydrophobicContact CB-CH2 4.37Å; V112-W117 HydrophobicContact CB-CZ3 4.27Å; V112-W117 HydrophobicContact CG1-CH2 4.27Å; V112-W117 HydrophobicContact CG1-CZ3 3.9Å; W117-A119 PolarHBondContact O-N 2.8Å; W117-Y139 HydrophobicContact CB-CD1 3.81Å; W117-Y139 HydrophobicContact CB-CE1 3.94Å; W117-Y139 AromaticContact CD1-CD1 3.73Å; W117-Y139 HydrophobicContact CG-CD1 4.07Å; W117-L140 PolarHBondContact NE1-O 2.67Å; W117-L140 VanDerWaalsContact NE1-O 3.1Å; W117-I167 HydrophobicContact CD2-CD1 4.26Å; W117-I167 HydrophobicContact CE3-CD1 3.64Å; W117-I167 HydrophobicContact CH2-CD1 4.05Å; W117-I167 HydrophobicContact CZ3-CD1 3.55Å; W117-L174 HydrophobicContact CZ2-CD2 4.36Å |
| 118 | P | 91.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 128.8 | 174.6 | -24 | 36 | 0 | 0 | 0 | 112.2 | L96 V97 W98 L140 L174 V178 | L96-P118 HydrophobicContact CD1-CB 4.49Å; V97-P118 CarbonylContact O-C 3.54Å; V97-P118 WeakPolarHBondContact O-CA 3.37Å; W98-P118 HydrophobicContact CE3-CG 4.15Å; W98-P118 HydrophobicContact CH2-CG 3.95Å; W98-P118 HydrophobicContact CZ3-CG 3.65Å; P118-L140 HydrophobicContact CB-CB 4.46Å; P118-L140 HydrophobicContact CB-CD1 3.94Å; P118-L140 HydrophobicContact CB-CG 4.28Å; P118-L140 PolarHBondContact O-N 3.23Å; P118-L174 HydrophobicContact CG-CD1 4.26Å; P118-L174 HydrophobicContact CG-CD2 4.18Å; P118-L174 HydrophobicContact CG-CG 4.43Å; P118-V178 HydrophobicContact CB-CG2 4.29Å |
| 119 | A | 92.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 149.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V97 A99 W117 V137 E138 Y139 | V97-A119 HydrophobicContact CG2-CB 4.43Å; V97-A119 WeakPolarHBondContact CG2-O 3.27Å; V97-A119 PolarHBondContact N-O 2.8Å; V97-A119 PolarHBondContact O-N 2.9Å; A99-A119 HydrophobicContact CB-CB 3.78Å; W117-A119 PolarHBondContact O-N 2.8Å; A119-V137 HydrophobicContact CB-CB 4.36Å; A119-V137 HydrophobicContact CB-CG1 3.82Å; A119-E138 CarbonylContact C-O 3.52Å; A119-E138 VanDerWaalsContact CA-O 3.28Å; A119-E138 WeakPolarHBondContact CA-O 3.39Å; A119-E138 WeakPolarHBondContact CB-O 3.33Å; A119-Y139 HydrophobicContact CB-CD1 3.77Å; A119-Y139 HydrophobicContact CB-CE1 4.1Å |
| 120 | L | 92.1 | Very high | 83 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.7 | 169.9 | -82.2 | 171.7 | 0 | 0 | 0 | 110.2 | E93 F122 V137 E138 L140 L181 | E93-L120 HydrophobicContact CG-CD1 4.25Å; E93-L120 HydrophobicContact CG-CD2 3.77Å; L120-F122 HydrophobicContact CB-CE2 3.95Å; L120-F122 HydrophobicContact CB-CZ 4.32Å; L120-F122 WeakPolarHBondContact O-CD2 3.38Å; L120-F122 WeakPolarHBondContact O-CE2 3.39Å; L120-V137 CarbonylContact O-C 3.57Å; L120-V137 VanDerWaalsContact O-CA 3.27Å; L120-V137 WeakPolarHBondContact O-CA 3.28Å; L120-E138 PolarHBondContact N-O 3.01Å; L120-E138 PolarHBondContact O-N 3.49Å; L120-L140 HydrophobicContact CD1-CD2 4.43Å; L120-L140 HydrophobicContact CG-CD2 4.35Å; L120-L181 HydrophobicContact CD1-CD1 4.13Å; L120-L181 HydrophobicContact CD1-CD2 4.32Å; L120-L181 HydrophobicContact CD2-CD1 4.35Å; L120-L181 HydrophobicContact CD2-CD2 3.83Å; L120-L181 HydrophobicContact CG-CD2 4.09Å |
| 121 | T | 93 | Very high | 83.4 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 153.2 | 165.3 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | G94 S95 V97 V135 P136 V137 L154 | G94-T121 WeakPolarHBondContact CA-O 3.45Å; G94-T121 PolarHBondContact N-O 3.19Å; S95-T121 PolarHBondContact N-OG1 2.73Å; S95-T121 PolarHBondContact O-N 3.4Å; S95-T121 PolarHBondContact O-OG1 3.41Å; V97-T121 HydrophobicContact CB-CG2 4.45Å; V97-T121 HydrophobicContact CG1-CG2 3.84Å; V97-T121 HydrophobicContact CG2-CG2 3.7Å; T121-V135 HydrophobicContact CG2-CG1 4.32Å; T121-P136 WeakPolarHBondContact CA-O 3.34Å; T121-V137 HydrophobicContact CG2-CG1 3.9Å; T121-L154 HydrophobicContact CG2-CD1 4.21Å |
| 122 | F | 91.4 | Very high | 83.7 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.3 | 172.5 | -63.1 | -105.4 | 0 | 0 | 0 | 111.9 | R12 L14 L91 L92 L120 P136 E138 | R12-F122 HydrophobicContact CB-CE1 4.4Å; L14-F122 HydrophobicContact CD1-CD1 3.89Å; L14-F122 HydrophobicContact CD1-CD2 3.88Å; L14-F122 HydrophobicContact CD1-CE1 3.98Å; L14-F122 HydrophobicContact CD1-CE2 3.99Å; L14-F122 HydrophobicContact CD1-CG 3.85Å; L14-F122 HydrophobicContact CD1-CZ 4.03Å; L14-F122 HydrophobicContact CG-CD1 3.96Å; L14-F122 HydrophobicContact CG-CE1 3.81Å; L14-F122 HydrophobicContact CG-CG 4.43Å; L14-F122 HydrophobicContact CG-CZ 4.15Å; L91-F122 HydrophobicContact CB-CB 3.85Å; L91-F122 HydrophobicContact CB-CD1 4.47Å; L91-F122 HydrophobicContact CD1-CB 4.46Å; L92-F122 CarbonylContact O-C 3.6Å; L92-F122 WeakPolarHBondContact O-CA 3.47Å; L120-F122 HydrophobicContact CB-CE2 3.95Å; L120-F122 HydrophobicContact CB-CZ 4.32Å; L120-F122 WeakPolarHBondContact O-CD2 3.38Å; L120-F122 WeakPolarHBondContact O-CE2 3.39Å; F122-P136 HydrophobicContact CB-CB 4.25Å; F122-P136 PolarHBondContact N-O 3.31Å; F122-E138 HydrophobicContact CE2-CB 3.64Å; F122-E138 HydrophobicContact CZ-CB 4.22Å |
| 123 | T | 88.3 | Confident | 84.1 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 32% | 0.319 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.2 | -178.2 | 55 | 0 | 0 | 0 | 0 | 110.7 | L91 L92 L125 | L91-T123 CarbonylContact C-O 3.6Å; L91-T123 WeakPolarHBondContact CA-O 3.35Å; L92-T123 PolarHBondContact N-O 3.48Å; L92-T123 PolarHBondContact O-N 2.86Å; L92-T123 PolarHBondContact O-OG1 3.36Å; T123-L125 PolarHBondContact O-N 3.44Å |
| 124 | P | 86.9 | Confident | 84.7 | Confident | 73 Ų | 73 | 43.8 Ų | 43.8 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 123 | -179.3 | 28.2 | -33 | 0 | 0 | 0 | 111.9 | L91 D127 | L91-P124 HydrophobicContact CD2-CB 3.88Å; P124-D127 HydrophobicContact CB-CB 4.12Å |
| 125 | L | 84.3 | Confident | 85.3 | Confident | 60 Ų | 60 | 42.2 Ų | 42.2 | 31% | 0.314 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -29.7 | 167 | -68.3 | 178.4 | 0 | 0 | 0 | 112 | M1 L90 L92 T123 | M1-L125 HydrophobicContact CE-CB 4.16Å; M1-L125 HydrophobicContact CE-CD1 3.86Å; M1-L125 HydrophobicContact CE-CD2 4.08Å; M1-L125 HydrophobicContact CE-CG 4.27Å; M1-L125 HydrophobicContact SD-CD2 4.5Å; L90-L125 HydrophobicContact CD2-CB 4.3Å; L90-L125 HydrophobicContact CD2-CD1 4.15Å; L90-L125 PolarHBondContact O-N 3.34Å; L92-L125 HydrophobicContact CB-CD1 3.71Å; L92-L125 HydrophobicContact CB-CG 4.12Å; L92-L125 HydrophobicContact CD1-CD1 3.9Å; L92-L125 HydrophobicContact CD2-CD1 4.12Å; L92-L125 HydrophobicContact CG-CD1 4.11Å; T123-L125 PolarHBondContact O-N 3.44Å |
| 126 | V | 86.2 | Confident | 85.8 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.3 | 168.1 | 176.4 | 0 | 0 | 0 | 0 | 107.4 | V82 V87 V89 L90 K128 | V82-V126 HydrophobicContact CG1-CG2 3.66Å; V87-V126 HydrophobicContact CG1-CG1 4.37Å; V89-V126 CarbonylContact C-O 3.48Å; V89-V126 VanDerWaalsContact CA-O 3.29Å; V89-V126 WeakPolarHBondContact CA-O 3.14Å; V89-V126 WeakPolarHBondContact CG1-O 3.34Å; L90-V126 HydrophobicContact CB-CB 4.02Å; L90-V126 HydrophobicContact CB-CG2 4.41Å; L90-V126 PolarHBondContact N-O 3.03Å; L90-V126 PolarHBondContact O-N 2.89Å; L90-V126 VanDerWaalsContact O-N 3.16Å; V126-K128 HydrophobicContact CG1-CG 4.35Å |
| 127 | D | 87.6 | Confident | 86.1 | Confident | 59 Ų | 59 | 35.4 Ų | 35.4 | 32% | 0.316 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 109.6 | 173 | 178.1 | 17.8 | 0 | 0 | 0 | 109.5 | P124 L129 G130 L131 | P124-D127 HydrophobicContact CB-CB 4.12Å; D127-L129 WeakPolarHBondContact OD1-CA 3.42Å; D127-L129 PolarHBondContact OD1-N 3.17Å; D127-G130 PolarHBondContact OD1-N 3.11Å; D127-G130 VanDerWaalsContact OD2-CA 3.29Å; D127-G130 WeakPolarHBondContact OD2-CA 3.48Å; D127-G130 PolarHBondContact OD2-N 3.47Å; D127-L131 PolarHBondContact OD2-N 3.12Å |
| 128 | K | 85.9 | Confident | 86.2 | Confident | 106 Ų | 106 | 35.7 Ų | 35.7 | 46% | 0.461 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -104.7 | 6.8 | 170.6 | -56 | 178.7 | -172.9 | 157.1 | 0 | 112.5 | A84 E85 V87 I88 V126 | A84-K128 PolarHBondContact O-NZ 2.89Å; E85-K128 PolarHBondContact O-NZ 3.47Å; V87-K128 WeakPolarHBondContact O-CD 3.29Å; V87-K128 WeakPolarHBondContact O-CE 3.34Å; V87-K128 PolarHBondContact O-NZ 2.95Å; I88-K128 HydrophobicContact CG2-CB 4.24Å; I88-K128 VanDerWaalsContact O-CB 3.31Å; I88-K128 WeakPolarHBondContact O-CB 3.48Å; I88-K128 WeakPolarHBondContact O-CG 3.42Å; I88-K128 PolarHBondContact O-N 3.49Å; V126-K128 HydrophobicContact CG1-CG 4.35Å |
| 129 | L | 79.9 | Confident | 86.2 | Confident | 64 Ų | 64 | 35.7 Ų | 35.7 | 34% | 0.335 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -99.9 | -27.9 | 175.2 | -79.9 | 175.8 | 0 | 0 | 0 | 113.1 | L16 L42 I88 V89 D127 | L16-L129 HydrophobicContact CD2-CD1 3.7Å; L42-L129 HydrophobicContact CD2-CD1 4.14Å; I88-L129 HydrophobicContact CG2-CD1 4.24Å; I88-L129 HydrophobicContact CG2-CD2 4.28Å; I88-L129 HydrophobicContact CG2-CG 3.76Å; V89-L129 HydrophobicContact CG2-CB 4.17Å; V89-L129 HydrophobicContact CG2-CD1 3.82Å; V89-L129 HydrophobicContact CG2-CG 4.05Å; D127-L129 WeakPolarHBondContact OD1-CA 3.42Å; D127-L129 PolarHBondContact OD1-N 3.17Å |
| 130 | G | 77.5 | Confident | 86.1 | Confident | 60 Ų | 60 | 36.1 Ų | 36.1 | 62% | 0.619 | 24% | 0.235 | S | C | * | . | trans | 79.2 | 57.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D127 G132 | D127-G130 PolarHBondContact OD1-N 3.11Å; D127-G130 VanDerWaalsContact OD2-CA 3.29Å; D127-G130 WeakPolarHBondContact OD2-CA 3.48Å; D127-G130 PolarHBondContact OD2-N 3.47Å; G130-G132 PolarHBondContact O-N 3.43Å | ||
| 131 | L | 74.5 | Confident | 85.8 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | trans | -60.6 | -25.9 | -179.4 | -67.1 | 171 | 0 | 0 | 0 | 112.9 | L42 V89 L91 D127 S133 V134 | L42-L131 HydrophobicContact CD1-CD2 3.74Å; L42-L131 HydrophobicContact CD2-CD2 4Å; V89-L131 HydrophobicContact CG1-CD1 4.03Å; L91-L131 HydrophobicContact CD2-CD1 3.87Å; D127-L131 PolarHBondContact OD2-N 3.12Å; L131-S133 PolarHBondContact O-N 2.82Å; L131-V134 VanDerWaalsContact O-CB 3.24Å; L131-V134 WeakPolarHBondContact O-CB 3.49Å; L131-V134 VanDerWaalsContact O-CG2 3.29Å; L131-V134 WeakPolarHBondContact O-CG2 3.36Å; L131-V134 PolarHBondContact O-N 2.88Å | ||
| 132 | G | 76.7 | Confident | 85.4 | Confident | 77 Ų | 77 | 41.6 Ų | 41.6 | 79% | 0.794 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | -114.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G130 | G130-G132 PolarHBondContact O-N 3.43Š|
| 133 | S | 76.8 | Confident | 85.2 | Confident | 85 Ų | 85 | 47.2 Ų | 47.2 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -9 | 176.9 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | L131 V135 S149 | L131-S133 PolarHBondContact O-N 2.82Å; S133-V135 PolarHBondContact O-N 2.91Å; S133-S149 WeakPolarHBondContact CB-O 3.41Å; S133-S149 PolarHBondContact OG-O 3.39Å |
| 134 | V | 83.8 | Confident | 85.1 | Confident | 20 Ų | 20 | 47 Ų | 47 | 12% | 0.121 | 28% | 0.279 | C | S | . | . | trans | -69.7 | 122.1 | -170.9 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | P38 L42 L131 P136 F147 L148 | P38-V134 HydrophobicContact CG-CG2 4.07Å; L42-V134 HydrophobicContact CD1-CG1 4.25Å; L131-V134 VanDerWaalsContact O-CB 3.24Å; L131-V134 WeakPolarHBondContact O-CB 3.49Å; L131-V134 VanDerWaalsContact O-CG2 3.29Å; L131-V134 WeakPolarHBondContact O-CG2 3.36Å; L131-V134 PolarHBondContact O-N 2.88Å; V134-P136 WeakPolarHBondContact O-CD 3.27Å; V134-F147 HydrophobicContact CG1-CB 3.64Å; V134-F147 HydrophobicContact CG1-CD1 3.87Å; V134-F147 HydrophobicContact CG1-CG 4.23Å; V134-L148 CarbonylContact C-O 3.49Å; V134-L148 WeakPolarHBondContact CA-O 3.45Å; V134-L148 WeakPolarHBondContact CG1-O 3.46Å | ||
| 135 | V | 87.1 | Confident | 85.2 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 115.2 | 178.1 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | T121 S133 L148 D150 A151 L154 | T121-V135 HydrophobicContact CG2-CG1 4.32Å; S133-V135 PolarHBondContact O-N 2.91Å; V135-L148 PolarHBondContact N-O 3.49Å; V135-L148 PolarHBondContact O-N 3.24Å; V135-D150 WeakPolarHBondContact CG2-O 3.17Å; V135-A151 HydrophobicContact CG2-CB 4.06Å; V135-L154 HydrophobicContact CB-CD1 4.47Å; V135-L154 HydrophobicContact CG1-CD1 3.86Å |
| 136 | P | 90.4 | Very high | 85.3 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 133.1 | 171.6 | -6.9 | 24.4 | 0 | 0 | 0 | 110.7 | L91 T121 F122 V134 R146 F147 | L91-P136 HydrophobicContact CD1-CB 3.8Å; L91-P136 HydrophobicContact CD1-CG 3.63Å; L91-P136 HydrophobicContact CD2-CG 4.31Å; T121-P136 WeakPolarHBondContact CA-O 3.34Å; F122-P136 HydrophobicContact CB-CB 4.25Å; F122-P136 PolarHBondContact N-O 3.31Å; V134-P136 WeakPolarHBondContact O-CD 3.27Å; P136-R146 WeakPolarHBondContact CA-O 3.24Å; P136-F147 HydrophobicContact CB-CD1 4Å; P136-F147 HydrophobicContact CB-CE1 3.8Å; P136-F147 HydrophobicContact CG-CD1 4.19Å; P136-F147 HydrophobicContact CG-CE1 4.06Å |
| 137 | V | 91.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 133.7 | 178.8 | -115.2 | 0 | 0 | 0 | 0 | 110.6 | V97 A99 A119 L120 T121 R146 L148 | V97-V137 HydrophobicContact CG2-CG1 4.19Å; A99-V137 HydrophobicContact CB-CG1 4.29Å; A119-V137 HydrophobicContact CB-CB 4.36Å; A119-V137 HydrophobicContact CB-CG1 3.82Å; L120-V137 CarbonylContact O-C 3.57Å; L120-V137 VanDerWaalsContact O-CA 3.27Å; L120-V137 WeakPolarHBondContact O-CA 3.28Å; T121-V137 HydrophobicContact CG2-CG1 3.9Å; V137-R146 PolarHBondContact N-O 3.01Å; V137-R146 PolarHBondContact O-N 3.08Å; V137-L148 HydrophobicContact CG2-CD1 3.73Å; V137-L148 HydrophobicContact CG2-CG 3.73Å |
| 138 | E | 92.5 | Very high | 85.4 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.5 | 173.5 | -161.3 | -151.2 | 84.4 | 0 | 0 | 109.9 | R12 A119 L120 F122 R143 E144 L145 | R12-E138 IonicContact CZ-OE1 2.85Å; R12-E138 IonicContact CZ-OE2 3.52Å; R12-E138 VanDerWaalsContact NH1-CD 3.33Å; R12-E138 IonicContact NH1-OE1 3.63Å; R12-E138 PolarHBondContact NH1-OE1 2.88Å; R12-E138 IonicContact NH1-OE2 3.9Å; R12-E138 PolarHBondContact NH1-OE2 2.71Å; R12-E138 IonicContact NH2-OE1 3.75Å; R12-E138 IonicContact NH2-OE2 2.68Å; R12-E138 PolarHBondContact NH2-OE2 2.81Å; A119-E138 CarbonylContact C-O 3.52Å; A119-E138 VanDerWaalsContact CA-O 3.28Å; A119-E138 WeakPolarHBondContact CA-O 3.39Å; A119-E138 WeakPolarHBondContact CB-O 3.33Å; L120-E138 PolarHBondContact N-O 3.01Å; L120-E138 PolarHBondContact O-N 3.49Å; F122-E138 HydrophobicContact CE2-CB 3.64Å; F122-E138 HydrophobicContact CZ-CB 4.22Å; E138-R143 HydrophobicContact CG-CB 4.16Å; E138-R143 WeakPolarHBondContact CG-O 3.48Å; E138-R143 WeakPolarHBondContact OE1-CB 3.47Å; E138-R143 WeakPolarHBondContact OE1-CG 3.31Å; E138-E144 WeakPolarHBondContact CA-O 3.31Å; E138-L145 HydrophobicContact CB-CD1 4.5Å |
| 139 | Y | 92 | Very high | 85 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 140.5 | -177.6 | -69.1 | -68.2 | 0 | 0 | 0 | 113.2 | A99 P100 R101 W117 A119 R143 E144 R146 | A99-Y139 HydrophobicContact CB-CE1 3.91Å; P100-Y139 PolarHBondContact O-OH 2.89Å; R101-Y139 HydrophobicContact CB-CE1 4.05Å; R101-Y139 HydrophobicContact CG-CE1 4.29Å; R101-Y139 HydrophobicContact CG-CE2 4.24Å; W117-Y139 HydrophobicContact CB-CD1 3.81Å; W117-Y139 HydrophobicContact CB-CE1 3.94Å; W117-Y139 AromaticContact CD1-CD1 3.73Å; W117-Y139 HydrophobicContact CG-CD1 4.07Å; A119-Y139 HydrophobicContact CB-CD1 3.77Å; A119-Y139 HydrophobicContact CB-CE1 4.1Å; Y139-R143 VanDerWaalsContact O-CA 3.25Å; Y139-R143 WeakPolarHBondContact O-CA 3.44Å; Y139-R143 PolarHBondContact O-N 3Å; Y139-E144 HydrophobicContact CD2-CB 4.16Å; Y139-E144 WeakPolarHBondContact CD2-O 3.34Å; Y139-E144 PolarHBondContact N-O 2.74Å; Y139-E144 VanDerWaalsContact N-O 3.07Å; Y139-R146 HydrophobicContact CE2-CG 3.94Å |
| 140 | L | 90 | Very high | 85 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 150.8 | 176.5 | -63.3 | -169.7 | 0 | 0 | 0 | 112.5 | L96 W117 P118 L120 D142 L174 T177 V178 L181 | L96-L140 HydrophobicContact CD1-CD1 3.79Å; L96-L140 HydrophobicContact CD1-CG 4.39Å; W117-L140 PolarHBondContact NE1-O 2.67Å; W117-L140 VanDerWaalsContact NE1-O 3.1Å; P118-L140 HydrophobicContact CB-CB 4.46Å; P118-L140 HydrophobicContact CB-CD1 3.94Å; P118-L140 HydrophobicContact CB-CG 4.28Å; P118-L140 PolarHBondContact O-N 3.23Å; L120-L140 HydrophobicContact CD1-CD2 4.43Å; L120-L140 HydrophobicContact CG-CD2 4.35Å; L140-D142 VanDerWaalsContact C-N 3.34Å; L140-D142 PolarHBondContact O-N 2.72Å; L140-L174 HydrophobicContact CB-CD1 4.06Å; L140-T177 HydrophobicContact CB-CG2 4.4Å; L140-T177 HydrophobicContact CD1-CG2 4.35Å; L140-T177 HydrophobicContact CD2-CG2 4.49Å; L140-V178 HydrophobicContact CD1-CG2 3.63Å; L140-L181 HydrophobicContact CD1-CD2 4.3Å; L140-L181 HydrophobicContact CD2-CD2 4.33Å |
| 141 | L | 86.2 | Confident | 85.1 | Confident | 63 Ų | 63 | 38.1 Ų | 38.1 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | -59.4 | -167.7 | -61.6 | 175.4 | 0 | 0 | 0 | 115.2 | L107 A173 L174 T177 | L107-L141 HydrophobicContact CD1-CD1 4.12Å; L107-L141 HydrophobicContact CD2-CB 4.48Å; L107-L141 HydrophobicContact CD2-CD1 3.61Å; L141-A173 HydrophobicContact CD2-CB 4.43Å; L141-L174 HydrophobicContact CD1-CB 3.83Å; L141-L174 HydrophobicContact CD1-CD1 3.89Å; L141-L174 HydrophobicContact CD1-CG 4.42Å; L141-L174 HydrophobicContact CG-CD1 3.96Å; L141-T177 VanDerWaalsContact CD2-OG1 3.27Å; L141-T177 WeakPolarHBondContact CD2-OG1 3.32Å |
| 142 | D | 85.4 | Confident | 85.3 | Confident | 68 Ų | 68 | 41.6 Ų | 41.6 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -12.3 | -171.4 | 70.5 | -66.3 | 0 | 0 | 0 | 114.7 | R101 L140 E144 | R101-D142 IonicContact CZ-OD1 2.71Å; R101-D142 IonicContact CZ-OD2 3.55Å; R101-D142 IonicContact NH1-OD1 3.41Å; R101-D142 PolarHBondContact NH1-OD1 2.99Å; R101-D142 IonicContact NH1-OD2 3.53Å; R101-D142 PolarHBondContact NH1-OD2 3.12Å; R101-D142 IonicContact NH2-OD1 3.42Å; R101-D142 IonicContact NH2-OD2 3.51Å; R101-D142 PolarHBondContact NH2-OD2 2.96Å; L140-D142 VanDerWaalsContact C-N 3.34Å; L140-D142 PolarHBondContact O-N 2.72Å; D142-E144 PolarHBondContact O-N 2.98Å; D142-E144 WeakPolarHBondContact OD2-CB 3.3Å |
| 143 | R | 86.2 | Confident | 85.3 | Confident | 125 Ų | 125 | 39.4 Ų | 39.4 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | trans | 58.3 | 27.7 | 178 | -55.4 | -166.9 | -178.7 | -169.8 | 3 | 114.8 | D70 E138 Y139 L145 | D70-R143 IonicContact OD1-CZ 3.53Å; D70-R143 IonicContact OD1-NH1 2.76Å; D70-R143 PolarHBondContact OD1-NH1 3.47Å; D70-R143 IonicContact OD2-NH1 2.65Å; D70-R143 PolarHBondContact OD2-NH1 3.1Å; E138-R143 HydrophobicContact CG-CB 4.16Å; E138-R143 WeakPolarHBondContact CG-O 3.48Å; E138-R143 WeakPolarHBondContact OE1-CB 3.47Å; E138-R143 WeakPolarHBondContact OE1-CG 3.31Å; Y139-R143 VanDerWaalsContact O-CA 3.25Å; Y139-R143 WeakPolarHBondContact O-CA 3.44Å; Y139-R143 PolarHBondContact O-N 3Å; R143-L145 PolarHBondContact O-N 3.2Å | ||
| 144 | E | 86.3 | Confident | 85.9 | Confident | 48 Ų | 48 | 36.6 Ų | 36.6 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | trans | -66 | 117.9 | 172.5 | -177.3 | -167.9 | 173.3 | 0 | 0 | 110.2 | R43 R101 E138 Y139 D142 R146 | R43-E144 IonicContact NH1-OE1 3.57Å; R101-E144 IonicContact CZ-OE2 3.54Å; R101-E144 IonicContact NE-OE2 3.07Å; R101-E144 IonicContact NH2-OE2 2.7Å; R101-E144 PolarHBondContact NH2-OE2 3.39Å; E138-E144 WeakPolarHBondContact CA-O 3.31Å; Y139-E144 HydrophobicContact CD2-CB 4.16Å; Y139-E144 WeakPolarHBondContact CD2-O 3.34Å; Y139-E144 PolarHBondContact N-O 2.74Å; Y139-E144 VanDerWaalsContact N-O 3.07Å; D142-E144 PolarHBondContact O-N 2.98Å; D142-E144 WeakPolarHBondContact OD2-CB 3.3Å; E144-R146 HydrophobicContact CG-CG 4.48Å; E144-R146 IonicContact OE1-CZ 3.5Å; E144-R146 IonicContact OE1-NE 2.76Å; E144-R146 PolarHBondContact OE1-NE 3.27Å; E144-R146 IonicContact OE1-NH2 2.77Å; E144-R146 PolarHBondContact OE1-NH2 3.44Å; E144-R146 IonicContact OE2-NE 3.69Å; E144-R146 IonicContact OE2-NH2 3.48Å | ||
| 145 | L | 88.9 | Confident | 86.1 | Confident | 33 Ų | 33 | 40 Ų | 40 | 17% | 0.173 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.4 | 175.5 | 178.5 | 61.1 | 0 | 0 | 0 | 111.4 | L14 W47 E138 R143 F147 | L14-L145 HydrophobicContact CD1-CD1 3.57Å; L14-L145 HydrophobicContact CD1-CD2 3.98Å; L14-L145 HydrophobicContact CD1-CG 4.44Å; L14-L145 HydrophobicContact CD2-CD2 4.5Å; W47-L145 HydrophobicContact CB-CD2 4.42Å; W47-L145 HydrophobicContact CD2-CD2 4.37Å; W47-L145 HydrophobicContact CG-CD2 4.09Å; E138-L145 HydrophobicContact CB-CD1 4.5Å; R143-L145 PolarHBondContact O-N 3.2Å; L145-F147 HydrophobicContact CD1-CZ 4.43Å; L145-F147 HydrophobicContact CD2-CE2 4Å; L145-F147 HydrophobicContact CD2-CZ 3.93Å; L145-F147 HydrophobicContact CG-CE2 3.95Å; L145-F147 HydrophobicContact CG-CZ 4.15Å |
| 146 | R | 87 | Confident | 86.1 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 11% | 0.106 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 161.9 | 171.9 | -66.2 | -155.5 | 170.7 | -157.6 | -15.2 | 112.2 | R43 D103 P136 V137 Y139 E144 | R43-R146 VanDerWaalsContact NH1-CZ 3.27Å; R43-R146 VanDerWaalsContact NH1-NE 3.16Å; R43-R146 VanDerWaalsContact NH1-NH2 3.14Å; D103-R146 IonicContact OD1-CZ 2.77Å; D103-R146 IonicContact OD1-NH1 3.16Å; D103-R146 IonicContact OD1-NH2 3.91Å; D103-R146 PolarHBondContact OD1-NH2 3.4Å; D103-R146 IonicContact OD2-CZ 3.41Å; D103-R146 IonicContact OD2-NH1 3.63Å; D103-R146 PolarHBondContact OD2-NH1 3.06Å; D103-R146 IonicContact OD2-NH2 3.6Å; D103-R146 PolarHBondContact OD2-NH2 3.2Å; P136-R146 WeakPolarHBondContact CA-O 3.24Å; V137-R146 PolarHBondContact N-O 3.01Å; V137-R146 PolarHBondContact O-N 3.08Å; Y139-R146 HydrophobicContact CE2-CG 3.94Å; E144-R146 HydrophobicContact CG-CG 4.48Å; E144-R146 IonicContact OE1-CZ 3.5Å; E144-R146 IonicContact OE1-NE 2.76Å; E144-R146 PolarHBondContact OE1-NE 3.27Å; E144-R146 IonicContact OE1-NH2 2.77Å; E144-R146 PolarHBondContact OE1-NH2 3.44Å; E144-R146 IonicContact OE2-NE 3.69Å; E144-R146 IonicContact OE2-NH2 3.48Å |
| 147 | F | 88.5 | Confident | 86 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 109.1 | 175 | -67 | -83.1 | 0 | 0 | 0 | 105.7 | L42 R43 W47 V134 P136 L145 | L42-F147 HydrophobicContact CB-CD1 4.39Å; L42-F147 HydrophobicContact CB-CD2 3.8Å; L42-F147 HydrophobicContact CB-CE2 4.02Å; L42-F147 HydrophobicContact CB-CG 4.02Å; L42-F147 HydrophobicContact CB-CZ 4.42Å; L42-F147 HydrophobicContact CD1-CB 4.5Å; L42-F147 HydrophobicContact CD1-CD1 4.23Å; L42-F147 HydrophobicContact CD1-CG 4.29Å; R43-F147 HydrophobicContact CG-CD2 3.93Å; R43-F147 HydrophobicContact CG-CE2 4.44Å; W47-F147 HydrophobicContact CD2-CZ 4.48Å; W47-F147 AromaticContact CE2-CZ 3.59Å; W47-F147 HydrophobicContact CH2-CE1 4.35Å; W47-F147 HydrophobicContact CH2-CZ 4.16Å; W47-F147 AromaticContact CZ2-CE1 3.9Å; W47-F147 HydrophobicContact CZ2-CE1 3.9Å; W47-F147 HydrophobicContact CZ2-CE2 4.38Å; W47-F147 AromaticContact CZ2-CZ 3.42Å; W47-F147 HydrophobicContact CZ2-CZ 3.42Å; W47-F147 VanDerWaalsContact CZ2-CZ 3.42Å; W47-F147 AromaticContact NE1-CE2 3.94Å; W47-F147 AromaticContact NE1-CZ 3.74Å; V134-F147 HydrophobicContact CG1-CB 3.64Å; V134-F147 HydrophobicContact CG1-CD1 3.87Å; V134-F147 HydrophobicContact CG1-CG 4.23Å; P136-F147 HydrophobicContact CB-CD1 4Å; P136-F147 HydrophobicContact CB-CE1 3.8Å; P136-F147 HydrophobicContact CG-CD1 4.19Å; P136-F147 HydrophobicContact CG-CE1 4.06Å; L145-F147 HydrophobicContact CD1-CZ 4.43Å; L145-F147 HydrophobicContact CD2-CE2 4Å; L145-F147 HydrophobicContact CD2-CZ 3.93Å; L145-F147 HydrophobicContact CG-CE2 3.95Å; L145-F147 HydrophobicContact CG-CZ 4.15Å |
| 148 | L | 86.4 | Confident | 85.6 | Confident | 32 Ų | 32 | 48.7 Ų | 48.7 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 146.7 | 176 | -60 | 179.3 | 0 | 0 | 0 | 109.4 | P100 V134 V135 V137 D150 L154 | P100-L148 HydrophobicContact CG-CD1 4.39Å; V134-L148 CarbonylContact C-O 3.49Å; V134-L148 WeakPolarHBondContact CA-O 3.45Å; V134-L148 WeakPolarHBondContact CG1-O 3.46Å; V135-L148 PolarHBondContact N-O 3.49Å; V135-L148 PolarHBondContact O-N 3.24Å; V137-L148 HydrophobicContact CG2-CD1 3.73Å; V137-L148 HydrophobicContact CG2-CG 3.73Å; L148-D150 VanDerWaalsContact C-N 3.25Å; L148-D150 WeakPolarHBondContact CB-O 3.2Å; L148-D150 PolarHBondContact O-N 2.94Å; L148-L154 HydrophobicContact CD1-CD1 4.42Å; L148-L154 HydrophobicContact CD1-CD2 3.7Å; L148-L154 HydrophobicContact CD1-CG 4.19Å |
| 149 | S | 77.3 | Confident | 84.6 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 46% | 0.462 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -66.8 | -27.8 | -175.1 | -44.3 | 0 | 0 | 0 | 0 | 113.5 | S133 | S133-S149 WeakPolarHBondContact CB-O 3.41Å; S133-S149 PolarHBondContact OG-O 3.39Å |
| 150 | D | 80 | Confident | 83.6 | Confident | 62 Ų | 62 | 54.6 Ų | 54.6 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -151.2 | -164.4 | 175.5 | 60.1 | 33.1 | 0 | 0 | 0 | 109.3 | V135 L148 N152 | V135-D150 WeakPolarHBondContact CG2-O 3.17Å; L148-D150 VanDerWaalsContact C-N 3.25Å; L148-D150 WeakPolarHBondContact CB-O 3.2Å; L148-D150 PolarHBondContact O-N 2.94Å; D150-N152 VanDerWaalsContact OD1-CB 3.24Å; D150-N152 WeakPolarHBondContact OD1-CB 3.13Å; D150-N152 PolarHBondContact OD1-N 3.03Å; D150-N152 PolarHBondContact OD1-ND2 2.83Å; D150-N152 PolarHBondContact OD2-ND2 3.04Å |
| 151 | A | 81 | Confident | 82.9 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -99 | 8.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V135 G153 L154 L761 | V135-A151 HydrophobicContact CG2-CB 4.06Å; A151-G153 PolarHBondContact O-N 3.21Å; A151-L154 HydrophobicContact CB-CD1 4.17Å; A151-L154 WeakPolarHBondContact O-CB 3.39Å; A151-L154 PolarHBondContact O-N 3.43Å; A151-L154 VanDerWaalsContact O-N 3.15Å; A151-L761 HydrophobicContact CB-CD1 4.41Å; A151-L761 HydrophobicContact CB-CD2 3.76Å; A151-L761 HydrophobicContact CB-CG 4.04Å |
| 152 | N | 77.1 | Confident | 82.6 | Confident | 87 Ų | 87 | 57 Ų | 57 | 47% | 0.465 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 132.6 | -175.8 | -73 | -52.6 | 0 | 0 | 0 | 111 | D150 L154 | D150-N152 VanDerWaalsContact OD1-CB 3.24Å; D150-N152 WeakPolarHBondContact OD1-CB 3.13Å; D150-N152 PolarHBondContact OD1-N 3.03Å; D150-N152 PolarHBondContact OD1-ND2 2.83Å; D150-N152 PolarHBondContact OD2-ND2 3.04Å; N152-L154 VanDerWaalsContact C-N 3.32Å |
| 153 | G | 78.3 | Confident | 82 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 3.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A151 H155 | A151-G153 PolarHBondContact O-N 3.21Å; G153-H155 PolarHBondContact O-CD2 2.86Å |
| 154 | L | 88.1 | Confident | 81.4 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | trans | -83.3 | 130.2 | 166.3 | -61.2 | -174.4 | 0 | 0 | 0 | 110.7 | V97 W98 A99 T121 V135 L148 A151 N152 | V97-L154 HydrophobicContact CG2-CD2 4.09Å; W98-L154 WeakPolarHBondContact O-CA 3.42Å; A99-L154 HydrophobicContact CB-CD2 3.54Å; T121-L154 HydrophobicContact CG2-CD1 4.21Å; V135-L154 HydrophobicContact CB-CD1 4.47Å; V135-L154 HydrophobicContact CG1-CD1 3.86Å; L148-L154 HydrophobicContact CD1-CD1 4.42Å; L148-L154 HydrophobicContact CD1-CD2 3.7Å; L148-L154 HydrophobicContact CD1-CG 4.19Å; A151-L154 HydrophobicContact CB-CD1 4.17Å; A151-L154 WeakPolarHBondContact O-CB 3.39Å; A151-L154 PolarHBondContact O-N 3.43Å; A151-L154 VanDerWaalsContact O-N 3.15Å; N152-L154 VanDerWaalsContact C-N 3.32Å | ||
| 155 | H | 88.1 | Confident | 81.2 | Confident | 92 Ų | 92 | 58 Ų | 58 | 43% | 0.426 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.6 | 174.8 | -54 | -89 | 0 | 0 | 0 | 110.5 | V97 W98 Q116 G153 F157 | V97-H155 CarbonylContact C-O 3.54Å; V97-H155 WeakPolarHBondContact CA-O 3.36Å; V97-H155 VanDerWaalsContact CB-O 3.31Å; V97-H155 WeakPolarHBondContact CB-O 3.4Å; W98-H155 HydrophobicContact CB-CB 4.31Å; W98-H155 PolarHBondContact N-O 3.24Å; W98-H155 PolarHBondContact O-N 2.94Å; W98-H155 VanDerWaalsContact O-N 3.09Å; Q116-H155 PolarHBondContact NE2-CD2 2.97Å; Q116-H155 PolarHBondContact NE2-NE2 2.82Å; G153-H155 PolarHBondContact O-CD2 2.86Å; H155-F157 PolarHBondContact O-N 2.72Å |
| 156 | L | 88.4 | Confident | 80.8 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 130.4 | 179.9 | -175.6 | 69 | 0 | 0 | 0 | 110.9 | Q158 | L156-Q158 PolarHBondContact O-N 2.89Å |
| 157 | F | 87.7 | Confident | 80.7 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | trans | -74 | 124.6 | 180 | -171.9 | -79.5 | 0 | 0 | 0 | 111.4 | L96 W98 H155 M159 D162 L168 V178 I182 | L96-F157 HydrophobicContact CB-CB 4.23Å; L96-F157 HydrophobicContact CD2-CB 3.84Å; L96-F157 HydrophobicContact CD2-CD1 3.65Å; L96-F157 HydrophobicContact CD2-CD2 4.11Å; L96-F157 HydrophobicContact CD2-CE1 4.26Å; L96-F157 HydrophobicContact CD2-CG 3.59Å; L96-F157 HydrophobicContact CG-CB 3.69Å; L96-F157 HydrophobicContact CG-CD1 4.45Å; L96-F157 HydrophobicContact CG-CD2 4.39Å; L96-F157 HydrophobicContact CG-CG 3.94Å; L96-F157 WeakPolarHBondContact O-CB 3.23Å; L96-F157 PolarHBondContact O-N 2.85Å; L96-F157 VanDerWaalsContact O-N 3.11Å; W98-F157 HydrophobicContact CD2-CD2 4.46Å; W98-F157 AromaticContact CE2-CD2 3.64Å; W98-F157 AromaticContact CE2-CE2 3.84Å; W98-F157 HydrophobicContact CH2-CE2 4.24Å; W98-F157 AromaticContact CZ2-CD2 3.79Å; W98-F157 HydrophobicContact CZ2-CD2 3.79Å; W98-F157 AromaticContact CZ2-CE2 3.47Å; W98-F157 HydrophobicContact CZ2-CE2 3.47Å; W98-F157 VanDerWaalsContact CZ2-CE2 3.47Å; W98-F157 AromaticContact NE1-CD2 3.5Å; H155-F157 PolarHBondContact O-N 2.72Å; F157-M159 HydrophobicContact CE1-CG 4.41Å; F157-D162 WeakPolarHBondContact CA-OD2 3.36Å; F157-D162 HydrophobicContact CD2-CB 4.25Å; F157-D162 HydrophobicContact CE1-CB 4.2Å; F157-D162 HydrophobicContact CE2-CB 3.91Å; F157-D162 HydrophobicContact CZ-CB 3.85Å; F157-L168 HydrophobicContact CE2-CD1 3.93Å; F157-L168 HydrophobicContact CZ-CD1 3.7Å; F157-V178 HydrophobicContact CE1-CG1 3.76Å; F157-V178 HydrophobicContact CE2-CG1 4.23Å; F157-V178 HydrophobicContact CZ-CG1 3.54Å; F157-I182 HydrophobicContact CD1-CD1 3.98Å; F157-I182 HydrophobicContact CE1-CD1 3.85Å | ||
| 158 | Q | 81.8 | Confident | 80.5 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | trans | -116.9 | 110.9 | -176.1 | -69.1 | -173.4 | -7.2 | 0 | 0 | 112.4 | L156 G160 T161 D162 | L156-Q158 PolarHBondContact O-N 2.89Å; Q158-G160 VanDerWaalsContact C-N 3.27Å; Q158-G160 PolarHBondContact O-N 3.43Å; Q158-T161 WeakPolarHBondContact CB-OG1 3.39Å; Q158-T161 PolarHBondContact O-N 2.88Å; Q158-T161 VanDerWaalsContact O-N 3.15Å; Q158-T161 PolarHBondContact OE1-OG1 3.45Å; Q158-D162 PolarHBondContact N-OD2 2.85Å; Q158-D162 VanDerWaalsContact O-CB 3.3Å; Q158-D162 WeakPolarHBondContact O-CB 3.44Å; Q158-D162 PolarHBondContact O-N 3.39Å | ||
| 159 | M | 72.4 | Confident | 80.3 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.1 | -174 | -109.3 | -74.6 | -174.5 | 0 | 0 | 116.6 | F157 S163 N179 I182 | F157-M159 HydrophobicContact CE1-CG 4.41Å; M159-S163 VanDerWaalsContact O-CB 3.25Å; M159-S163 WeakPolarHBondContact O-CB 3.5Å; M159-S163 PolarHBondContact O-OG 2.83Å; M159-S163 VanDerWaalsContact O-OG 3.07Å; M159-N179 WeakPolarHBondContact CE-OD1 3.31Å; M159-I182 HydrophobicContact CE-CB 4.3Å; M159-I182 HydrophobicContact CE-CD1 3.67Å; M159-I182 HydrophobicContact CE-CG2 4.28Å; M159-I182 HydrophobicContact CG-CD1 3.72Å; M159-I182 HydrophobicContact CG-CG2 4.15Å; M159-I182 HydrophobicContact SD-CD1 4.49Å |
| 160 | G | 70.8 | Confident | 80.5 | Confident | 68 Ų | 68 | 67 Ų | 67 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -33 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q158 | Q158-G160 VanDerWaalsContact C-N 3.27Å; Q158-G160 PolarHBondContact O-N 3.43Å |
| 161 | T | 75.4 | Confident | 80.7 | Confident | 89 Ų | 89 | 65.6 Ų | 65.6 | 55% | 0.546 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -46.8 | -173.4 | 13.1 | 0 | 0 | 0 | 0 | 111.3 | Q158 | Q158-T161 WeakPolarHBondContact CB-OG1 3.39Å; Q158-T161 PolarHBondContact O-N 2.88Å; Q158-T161 VanDerWaalsContact O-N 3.15Å; Q158-T161 PolarHBondContact OE1-OG1 3.45Å |
| 162 | D | 79.3 | Confident | 80.7 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -81.6 | -15.5 | -173.9 | -68.2 | -25.5 | 0 | 0 | 0 | 114 | W98 F157 Q158 Q164 N165 L168 | W98-D162 HydrophobicContact CZ2-CB 4.1Å; W98-D162 PolarHBondContact NE1-OD2 2.93Å; F157-D162 WeakPolarHBondContact CA-OD2 3.36Å; F157-D162 HydrophobicContact CD2-CB 4.25Å; F157-D162 HydrophobicContact CE1-CB 4.2Å; F157-D162 HydrophobicContact CE2-CB 3.91Å; F157-D162 HydrophobicContact CZ-CB 3.85Å; Q158-D162 PolarHBondContact N-OD2 2.85Å; Q158-D162 VanDerWaalsContact O-CB 3.3Å; Q158-D162 WeakPolarHBondContact O-CB 3.44Å; Q158-D162 PolarHBondContact O-N 3.39Å; D162-Q164 PolarHBondContact O-N 2.91Å; D162-Q164 VanDerWaalsContact O-N 3.1Å; D162-N165 WeakPolarHBondContact O-CB 3.42Å; D162-N165 PolarHBondContact O-N 2.93Å; D162-L168 WeakPolarHBondContact O-CD1 3.3Å |
| 163 | S | 73 | Confident | 81 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -63.5 | -15.8 | 176.8 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | M159 | M159-S163 VanDerWaalsContact O-CB 3.25Å; M159-S163 WeakPolarHBondContact O-CB 3.5Å; M159-S163 PolarHBondContact O-OG 2.83Å; M159-S163 VanDerWaalsContact O-OG 3.07Å |
| 164 | Q | 74.2 | Confident | 81.4 | Confident | 154 Ų | 154 | 63 Ų | 63 | 72% | 0.72 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -95 | 2 | 172.6 | -57.1 | -167.6 | 22.5 | 0 | 0 | 113.4 | D162 Q166 L169 | D162-Q164 PolarHBondContact O-N 2.91Å; D162-Q164 VanDerWaalsContact O-N 3.1Å; Q164-Q166 PolarHBondContact O-N 3.26Å; Q164-L169 WeakPolarHBondContact O-CD1 3.32Å |
| 165 | N | 82.2 | Confident | 81.4 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 31% | 0.305 | 36% | 0.357 | S | S | . | . | trans | -61.3 | 129.3 | 177.8 | -171.4 | -42.4 | 0 | 0 | 0 | 110.1 | W98 D162 I167 L168 L169 | W98-N165 HydrophobicContact CH2-CB 3.98Å; W98-N165 WeakPolarHBondContact CH2-ND2 3.26Å; W98-N165 HydrophobicContact CZ2-CB 3.95Å; W98-N165 VanDerWaalsContact CZ2-ND2 3.28Å; W98-N165 WeakPolarHBondContact CZ2-ND2 3.4Å; D162-N165 WeakPolarHBondContact O-CB 3.42Å; D162-N165 PolarHBondContact O-N 2.93Å; N165-I167 PolarHBondContact O-N 2.85Å; N165-I167 WeakPolarHBondContact OD1-CG2 3.44Å; N165-I167 PolarHBondContact OD1-N 2.62Å; N165-L168 PolarHBondContact O-N 3.06Å; N165-L169 PolarHBondContact O-N 2.7Å | ||
| 166 | Q | 81.1 | Confident | 81.3 | Confident | 129 Ų | 129 | 67 Ų | 67 | 60% | 0.603 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -51.8 | -36.2 | -171.5 | -175.5 | 169 | -7.7 | 0 | 0 | 113.3 | Q164 L168 L169 E170 | Q164-Q166 PolarHBondContact O-N 3.26Å; Q166-L168 VanDerWaalsContact C-N 3.29Å; Q166-L168 PolarHBondContact O-N 2.87Å; Q166-L169 PolarHBondContact O-N 2.75Å; Q166-L169 VanDerWaalsContact O-N 3.15Å; Q166-E170 HydrophobicContact CG-CG 4.27Å; Q166-E170 VanDerWaalsContact CG-OE1 3.3Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.5Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CB 3.38Å; Q166-E170 WeakPolarHBondContact O-CG 3.4Å; Q166-E170 PolarHBondContact O-N 3.4Å |
| 167 | I | 83.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.4 | -30.9 | 178.2 | -161.4 | -179.3 | 0 | 0 | 0 | 113.5 | W98 I114 W117 N165 H171 L174 | W98-I167 HydrophobicContact CH2-CG2 3.67Å; W98-I167 HydrophobicContact CZ3-CG2 3.85Å; I114-I167 HydrophobicContact CD1-CB 4.07Å; I114-I167 HydrophobicContact CD1-CD1 3.67Å; I114-I167 HydrophobicContact CD1-CG1 3.69Å; W117-I167 HydrophobicContact CD2-CD1 4.26Å; W117-I167 HydrophobicContact CE3-CD1 3.64Å; W117-I167 HydrophobicContact CH2-CD1 4.05Å; W117-I167 HydrophobicContact CZ3-CD1 3.55Å; N165-I167 PolarHBondContact O-N 2.85Å; N165-I167 WeakPolarHBondContact OD1-CG2 3.44Å; N165-I167 PolarHBondContact OD1-N 2.62Å; I167-H171 WeakPolarHBondContact O-CB 3Å; I167-H171 PolarHBondContact O-N 3.43Å; I167-L174 HydrophobicContact CD1-CD2 3.85Å; I167-L174 HydrophobicContact CG1-CD2 3.86Å; I167-L174 HydrophobicContact CG2-CD2 4.32Å |
| 168 | L | 83.9 | Confident | 81.4 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -84.3 | -21.9 | 177.4 | -55.7 | -179.5 | 0 | 0 | 0 | 112.3 | F157 D162 N165 Q166 L174 R175 V178 | F157-L168 HydrophobicContact CE2-CD1 3.93Å; F157-L168 HydrophobicContact CZ-CD1 3.7Å; D162-L168 WeakPolarHBondContact O-CD1 3.3Å; N165-L168 PolarHBondContact O-N 3.06Å; Q166-L168 VanDerWaalsContact C-N 3.29Å; Q166-L168 PolarHBondContact O-N 2.87Å; L168-L174 HydrophobicContact CD2-CB 4.43Å; L168-L174 HydrophobicContact CD2-CD2 3.87Å; L168-L174 HydrophobicContact CD2-CG 3.76Å; L168-R175 HydrophobicContact CB-CB 4.26Å; L168-R175 WeakPolarHBondContact O-CB 3.5Å; L168-R175 WeakPolarHBondContact O-CD 3.47Å; L168-R175 PolarHBondContact O-NH1 2.79Å; L168-V178 HydrophobicContact CD2-CG2 4.24Å |
| 169 | L | 82.7 | Confident | 81.6 | Confident | 106 Ų | 106 | 62.7 Ų | 62.7 | 56% | 0.555 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -75.5 | -42.6 | 170.8 | -62.3 | 175.8 | 0 | 0 | 0 | 110.3 | Q164 N165 Q166 | Q164-L169 WeakPolarHBondContact O-CD1 3.32Å; N165-L169 PolarHBondContact O-N 2.7Å; Q166-L169 PolarHBondContact O-N 2.75Å; Q166-L169 VanDerWaalsContact O-N 3.15Å |
| 170 | E | 81.9 | Confident | 82.2 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -76.4 | -37.4 | -179.5 | -69.8 | 176.5 | -179 | 0 | 0 | 113.5 | Q166 | Q166-E170 HydrophobicContact CG-CG 4.27Å; Q166-E170 VanDerWaalsContact CG-OE1 3.3Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.5Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CB 3.38Å; Q166-E170 WeakPolarHBondContact O-CG 3.4Å; Q166-E170 PolarHBondContact O-N 3.4Å |
| 171 | H | 83.1 | Confident | 82.9 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | trans | -110.1 | 90.4 | -178.8 | -63.3 | -56.7 | 0 | 0 | 0 | 113.1 | L107 V112 I167 A173 L174 R175 | L107-H171 HydrophobicContact CD1-CB 4.22Å; V112-H171 WeakPolarHBondContact CG2-NE2 3.39Å; I167-H171 WeakPolarHBondContact O-CB 3Å; I167-H171 PolarHBondContact O-N 3.43Å; H171-A173 VanDerWaalsContact C-N 3.31Å; H171-A173 PolarHBondContact O-N 3.39Å; H171-L174 HydrophobicContact CB-CB 3.88Å; H171-L174 WeakPolarHBondContact O-CB 3.44Å; H171-L174 PolarHBondContact O-N 3.23Å; H171-R175 PolarHBondContact O-N 3Å; H171-R175 VanDerWaalsContact O-N 3.1Å | ||
| 172 | A | 82.3 | Confident | 83.4 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 35% | 0.347 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -50.5 | -45.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L174 R175 E176 | A172-L174 VanDerWaalsContact C-N 3.32Å; A172-L174 PolarHBondContact O-N 2.65Å; A172-R175 WeakPolarHBondContact O-CB 3.49Å; A172-R175 PolarHBondContact O-N 3.19Å; A172-E176 WeakPolarHBondContact O-CB 3.27Å; A172-E176 WeakPolarHBondContact O-CG 3.44Å; A172-E176 PolarHBondContact O-N 3.22Å |
| 173 | A | 82.8 | Confident | 83.6 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 36% | 0.355 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64 | -32.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L141 H171 T177 | L141-A173 HydrophobicContact CD2-CB 4.43Å; H171-A173 VanDerWaalsContact C-N 3.31Å; H171-A173 PolarHBondContact O-N 3.39Å; A173-T177 WeakPolarHBondContact O-CB 3.29Å; A173-T177 PolarHBondContact O-N 3.44Å; A173-T177 PolarHBondContact O-OG1 3.38Å |
| 174 | L | 87.3 | Confident | 84 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.9 | -45.2 | 175 | -175.5 | 61.9 | 0 | 0 | 0 | 110.1 | W117 P118 L140 L141 I167 L168 H171 A172 T177 V178 | W117-L174 HydrophobicContact CZ2-CD2 4.36Å; P118-L174 HydrophobicContact CG-CD1 4.26Å; P118-L174 HydrophobicContact CG-CD2 4.18Å; P118-L174 HydrophobicContact CG-CG 4.43Å; L140-L174 HydrophobicContact CB-CD1 4.06Å; L141-L174 HydrophobicContact CD1-CB 3.83Å; L141-L174 HydrophobicContact CD1-CD1 3.89Å; L141-L174 HydrophobicContact CD1-CG 4.42Å; L141-L174 HydrophobicContact CG-CD1 3.96Å; I167-L174 HydrophobicContact CD1-CD2 3.85Å; I167-L174 HydrophobicContact CG1-CD2 3.86Å; I167-L174 HydrophobicContact CG2-CD2 4.32Å; L168-L174 HydrophobicContact CD2-CB 4.43Å; L168-L174 HydrophobicContact CD2-CD2 3.87Å; L168-L174 HydrophobicContact CD2-CG 3.76Å; H171-L174 HydrophobicContact CB-CB 3.88Å; H171-L174 WeakPolarHBondContact O-CB 3.44Å; H171-L174 PolarHBondContact O-N 3.23Å; A172-L174 VanDerWaalsContact C-N 3.32Å; A172-L174 PolarHBondContact O-N 2.65Å; L174-T177 PolarHBondContact O-N 3.01Å; L174-V178 WeakPolarHBondContact O-CB 3.49Å; L174-V178 WeakPolarHBondContact O-CG2 3.3Å; L174-V178 PolarHBondContact O-N 3.31Å |
| 175 | R | 87.3 | Confident | 84.3 | Confident | 87 Ų | 87 | 54.8 Ų | 54.8 | 33% | 0.328 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.6 | -175.7 | -178.2 | 65.3 | -132.6 | 5.1 | 112.3 | L168 H171 A172 V178 N179 | L168-R175 HydrophobicContact CB-CB 4.26Å; L168-R175 WeakPolarHBondContact O-CB 3.5Å; L168-R175 WeakPolarHBondContact O-CD 3.47Å; L168-R175 PolarHBondContact O-NH1 2.79Å; H171-R175 PolarHBondContact O-N 3Å; H171-R175 VanDerWaalsContact O-N 3.1Å; A172-R175 WeakPolarHBondContact O-CB 3.49Å; A172-R175 PolarHBondContact O-N 3.19Å; R175-V178 PolarHBondContact O-N 3.1Å; R175-N179 VanDerWaalsContact O-CB 3.26Å; R175-N179 WeakPolarHBondContact O-CB 3.41Å; R175-N179 PolarHBondContact O-N 2.74Å; R175-N179 PolarHBondContact O-OD1 3.01Å |
| 176 | E | 86.4 | Confident | 84.3 | Confident | 115 Ų | 115 | 54.5 Ų | 54.5 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 175.2 | -75.5 | 157.3 | -161.9 | 0 | 0 | 111.4 | A172 N179 A180 | A172-E176 WeakPolarHBondContact O-CB 3.27Å; A172-E176 WeakPolarHBondContact O-CG 3.44Å; A172-E176 PolarHBondContact O-N 3.22Å; E176-N179 PolarHBondContact O-N 3.08Å; E176-A180 VanDerWaalsContact O-CB 3.27Å; E176-A180 WeakPolarHBondContact O-CB 3.46Å; E176-A180 PolarHBondContact O-N 3.34Å |
| 177 | T | 87.8 | Confident | 84.3 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 31% | 0.307 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 176 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | L140 L141 A173 L174 L181 | L140-T177 HydrophobicContact CB-CG2 4.4Å; L140-T177 HydrophobicContact CD1-CG2 4.35Å; L140-T177 HydrophobicContact CD2-CG2 4.49Å; L141-T177 VanDerWaalsContact CD2-OG1 3.27Å; L141-T177 WeakPolarHBondContact CD2-OG1 3.32Å; A173-T177 WeakPolarHBondContact O-CB 3.29Å; A173-T177 PolarHBondContact O-N 3.44Å; A173-T177 PolarHBondContact O-OG1 3.38Å; L174-T177 PolarHBondContact O-N 3.01Å; T177-L181 WeakPolarHBondContact O-CB 3.17Å; T177-L181 PolarHBondContact O-N 3.15Å |
| 178 | V | 88.8 | Confident | 84 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 176 | 165.6 | 0 | 0 | 0 | 0 | 111.2 | L96 P118 L140 F157 L168 L174 R175 L181 I182 | L96-V178 HydrophobicContact CD2-CG1 4.25Å; P118-V178 HydrophobicContact CB-CG2 4.29Å; L140-V178 HydrophobicContact CD1-CG2 3.63Å; F157-V178 HydrophobicContact CE1-CG1 3.76Å; F157-V178 HydrophobicContact CE2-CG1 4.23Å; F157-V178 HydrophobicContact CZ-CG1 3.54Å; L168-V178 HydrophobicContact CD2-CG2 4.24Å; L174-V178 WeakPolarHBondContact O-CB 3.49Å; L174-V178 WeakPolarHBondContact O-CG2 3.3Å; L174-V178 PolarHBondContact O-N 3.31Å; R175-V178 PolarHBondContact O-N 3.1Å; V178-L181 PolarHBondContact O-N 2.77Å; V178-I182 HydrophobicContact CG1-CD1 3.78Å; V178-I182 WeakPolarHBondContact O-CB 3.48Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.37Å; V178-I182 PolarHBondContact O-N 3.29Å |
| 179 | N | 86.9 | Confident | 83.7 | Confident | 73 Ų | 73 | 52.5 Ų | 52.5 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 178.5 | -71.6 | -1.2 | 0 | 0 | 0 | 111.7 | M159 R175 E176 I182 S183 | M159-N179 WeakPolarHBondContact CE-OD1 3.31Å; R175-N179 VanDerWaalsContact O-CB 3.26Å; R175-N179 WeakPolarHBondContact O-CB 3.41Å; R175-N179 PolarHBondContact O-N 2.74Å; R175-N179 PolarHBondContact O-OD1 3.01Å; E176-N179 PolarHBondContact O-N 3.08Å; N179-I182 PolarHBondContact O-N 3.44Å; N179-S183 VanDerWaalsContact O-CB 3.31Å; N179-S183 WeakPolarHBondContact O-CB 3.45Å; N179-S183 PolarHBondContact O-N 3.32Å |
| 180 | A | 85.3 | Confident | 83.5 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E176 I182 S183 D184 | E176-A180 VanDerWaalsContact O-CB 3.27Å; E176-A180 WeakPolarHBondContact O-CB 3.46Å; E176-A180 PolarHBondContact O-N 3.34Å; A180-I182 PolarHBondContact O-N 3.24Å; A180-S183 WeakPolarHBondContact O-CB 3.43Å; A180-S183 PolarHBondContact O-N 3.1Å; A180-D184 PolarHBondContact O-N 2.96Å |
| 181 | L | 86.2 | Confident | 83.4 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 176.9 | -179.9 | 70.7 | 0 | 0 | 0 | 112 | L96 L120 L140 T177 V178 S183 D184 Q185 | L96-L181 HydrophobicContact CB-CD2 4.47Å; L96-L181 HydrophobicContact CD1-CD2 3.91Å; L96-L181 HydrophobicContact CD2-CD2 4.31Å; L96-L181 HydrophobicContact CG-CD2 4.46Å; L120-L181 HydrophobicContact CD1-CD1 4.13Å; L120-L181 HydrophobicContact CD1-CD2 4.32Å; L120-L181 HydrophobicContact CD2-CD1 4.35Å; L120-L181 HydrophobicContact CD2-CD2 3.83Å; L120-L181 HydrophobicContact CG-CD2 4.09Å; L140-L181 HydrophobicContact CD1-CD2 4.3Å; L140-L181 HydrophobicContact CD2-CD2 4.33Å; T177-L181 WeakPolarHBondContact O-CB 3.17Å; T177-L181 PolarHBondContact O-N 3.15Å; V178-L181 PolarHBondContact O-N 2.77Å; L181-S183 VanDerWaalsContact C-N 3.33Å; L181-D184 PolarHBondContact O-N 3.39Å; L181-Q185 WeakPolarHBondContact O-CB 3.25Å; L181-Q185 WeakPolarHBondContact O-CG 3.25Å; L181-Q185 PolarHBondContact O-N 2.71Å |
| 182 | I | 85.6 | Confident | 82.9 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.9 | -29.7 | -179.9 | -66.3 | 169.4 | 0 | 0 | 0 | 111.3 | L96 F157 M159 V178 N179 A180 K186 | L96-I182 HydrophobicContact CD2-CD1 3.77Å; L96-I182 HydrophobicContact CD2-CG1 4.07Å; F157-I182 HydrophobicContact CD1-CD1 3.98Å; F157-I182 HydrophobicContact CE1-CD1 3.85Å; M159-I182 HydrophobicContact CE-CB 4.3Å; M159-I182 HydrophobicContact CE-CD1 3.67Å; M159-I182 HydrophobicContact CE-CG2 4.28Å; M159-I182 HydrophobicContact CG-CD1 3.72Å; M159-I182 HydrophobicContact CG-CG2 4.15Å; M159-I182 HydrophobicContact SD-CD1 4.49Å; V178-I182 HydrophobicContact CG1-CD1 3.78Å; V178-I182 WeakPolarHBondContact O-CB 3.48Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.37Å; V178-I182 PolarHBondContact O-N 3.29Å; N179-I182 PolarHBondContact O-N 3.44Å; A180-I182 PolarHBondContact O-N 3.24Å; I182-K186 HydrophobicContact CG2-CD 4.42Å; I182-K186 WeakPolarHBondContact O-CB 3.38Å; I182-K186 VanDerWaalsContact O-CG 3.29Å; I182-K186 WeakPolarHBondContact O-CG 3.49Å; I182-K186 PolarHBondContact O-N 2.84Å; I182-K186 VanDerWaalsContact O-N 3.09Å |
| 183 | S | 83.1 | Confident | 82.2 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -53.2 | 170.7 | -164.9 | 0 | 0 | 0 | 0 | 110.7 | N179 A180 L181 Q185 K186 L187 | N179-S183 VanDerWaalsContact O-CB 3.31Å; N179-S183 WeakPolarHBondContact O-CB 3.45Å; N179-S183 PolarHBondContact O-N 3.32Å; A180-S183 WeakPolarHBondContact O-CB 3.43Å; A180-S183 PolarHBondContact O-N 3.1Å; L181-S183 VanDerWaalsContact C-N 3.33Å; S183-Q185 VanDerWaalsContact C-N 3.35Å; S183-Q185 PolarHBondContact O-N 3.28Å; S183-K186 PolarHBondContact O-N 3.08Å; S183-K186 VanDerWaalsContact O-N 3.13Å; S183-L187 WeakPolarHBondContact O-CD1 3.15Å; S183-L187 PolarHBondContact O-N 3.01Å |
| 184 | D | 81.5 | Confident | 81.2 | Confident | 70 Ų | 70 | 46.8 Ų | 46.8 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 178.9 | -88.3 | 0.4 | 0 | 0 | 0 | 112 | A180 L181 K186 L187 Q188 M250 | A180-D184 PolarHBondContact O-N 2.96Å; L181-D184 PolarHBondContact O-N 3.39Å; D184-K186 PolarHBondContact O-N 3.42Å; D184-L187 PolarHBondContact O-N 2.84Å; D184-Q188 WeakPolarHBondContact O-CG 3.42Å; D184-Q188 PolarHBondContact O-N 3.16Å; D184-M250 VanDerWaalsContact OD1-CE 3.28Å; D184-M250 WeakPolarHBondContact OD1-CE 3.44Å |
| 185 | Q | 81.1 | Confident | 80 | Confident | 60 Ų | 60 | 50.8 Ų | 50.8 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 174.4 | -74.9 | 180 | -3.4 | 0 | 0 | 111.9 | E93 L181 S183 E189 | E93-Q185 PolarHBondContact OE1-NE2 2.72Å; L181-Q185 WeakPolarHBondContact O-CB 3.25Å; L181-Q185 WeakPolarHBondContact O-CG 3.25Å; L181-Q185 PolarHBondContact O-N 2.71Å; S183-Q185 VanDerWaalsContact C-N 3.35Å; S183-Q185 PolarHBondContact O-N 3.28Å; Q185-E189 WeakPolarHBondContact O-CB 3.47Å; Q185-E189 PolarHBondContact O-N 3.4Å |
| 186 | K | 81.4 | Confident | 79 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 23% | 0.226 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 174.8 | -76.8 | 178 | 174.6 | 178.6 | 0 | 112.4 | I182 S183 D184 E189 I190 F769 H772 | I182-K186 HydrophobicContact CG2-CD 4.42Å; I182-K186 WeakPolarHBondContact O-CB 3.38Å; I182-K186 VanDerWaalsContact O-CG 3.29Å; I182-K186 WeakPolarHBondContact O-CG 3.49Å; I182-K186 PolarHBondContact O-N 2.84Å; I182-K186 VanDerWaalsContact O-N 3.09Å; S183-K186 PolarHBondContact O-N 3.08Å; S183-K186 VanDerWaalsContact O-N 3.13Å; D184-K186 PolarHBondContact O-N 3.42Å; K186-E189 PolarHBondContact O-N 3.11Å; K186-I190 VanDerWaalsContact O-CG1 3.23Å; K186-I190 WeakPolarHBondContact O-CG1 3.41Å; K186-I190 PolarHBondContact O-N 3.32Å; K186-F769 HydrophobicContact CD-CZ 4.34Å; K186-F769 HydrophobicContact CG-CZ 4.01Å; K186-H772 PolarHBondContact NZ-NE2 3.27Å |
| 187 | L | 81.3 | Confident | 78.2 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.6 | -47 | 177.9 | -95.3 | 69.3 | 0 | 0 | 0 | 111.4 | S183 D184 E189 I190 F191 L251 | S183-L187 WeakPolarHBondContact O-CD1 3.15Å; S183-L187 PolarHBondContact O-N 3.01Å; D184-L187 PolarHBondContact O-N 2.84Å; L187-E189 VanDerWaalsContact C-N 3.29Å; L187-E189 PolarHBondContact O-N 3.29Å; L187-I190 PolarHBondContact O-N 2.92Å; L187-F191 HydrophobicContact CB-CE2 4.27Å; L187-F191 WeakPolarHBondContact O-CD2 3.15Å; L187-F191 WeakPolarHBondContact O-CG 3.36Å; L187-F191 PolarHBondContact O-N 2.67Å; L187-L251 HydrophobicContact CD2-CB 3.88Å; L187-L251 HydrophobicContact CD2-CD1 3.93Å; L187-L251 HydrophobicContact CD2-CG 4.37Å; L187-L251 HydrophobicContact CG-CD1 4.04Å |
| 188 | Q | 78.4 | Confident | 77.8 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 11% | 0.107 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 176.1 | -66.3 | -57 | -25.1 | 0 | 0 | 112 | D184 S192 H248 V249 | D184-Q188 WeakPolarHBondContact O-CG 3.42Å; D184-Q188 PolarHBondContact O-N 3.16Å; Q188-S192 WeakPolarHBondContact O-CB 3.32Å; Q188-S192 PolarHBondContact O-N 2.74Å; Q188-S192 PolarHBondContact O-OG 2.9Å; Q188-H248 PolarHBondContact NE2-NE2 3.45Å; Q188-V249 PolarHBondContact NE2-O 3.11Å |
| 189 | E | 77.5 | Confident | 77.5 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 172.8 | -169.1 | 171.5 | -177.6 | 0 | 0 | 112.1 | Q185 K186 L187 S192 R193 F769 | Q185-E189 WeakPolarHBondContact O-CB 3.47Å; Q185-E189 PolarHBondContact O-N 3.4Å; K186-E189 PolarHBondContact O-N 3.11Å; L187-E189 VanDerWaalsContact C-N 3.29Å; L187-E189 PolarHBondContact O-N 3.29Å; E189-S192 PolarHBondContact O-N 3.07Å; E189-R193 HydrophobicContact CG-CG 4.15Å; E189-R193 WeakPolarHBondContact O-CB 3.45Å; E189-R193 PolarHBondContact O-N 2.87Å; E189-R193 WeakPolarHBondContact OE1-CD 3.37Å; E189-R193 IonicContact OE1-CZ 3.82Å; E189-R193 IonicContact OE1-NE 2.68Å; E189-R193 IonicContact OE1-NH1 3.73Å; E189-R193 PolarHBondContact OE1-NH1 3.23Å; E189-F769 WeakPolarHBondContact OE2-CE2 3.25Å |
| 190 | I | 78.2 | Confident | 77.3 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 18% | 0.179 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 174.9 | -68.7 | 164.9 | 0 | 0 | 0 | 110.7 | K186 L187 S192 G194 Y196 V198 | K186-I190 VanDerWaalsContact O-CG1 3.23Å; K186-I190 WeakPolarHBondContact O-CG1 3.41Å; K186-I190 PolarHBondContact O-N 3.32Å; L187-I190 PolarHBondContact O-N 2.92Å; I190-S192 VanDerWaalsContact C-N 3.34Å; I190-S192 PolarHBondContact O-N 2.99Å; I190-G194 WeakPolarHBondContact O-CA 3.49Å; I190-G194 PolarHBondContact O-N 3.28Å; I190-Y196 HydrophobicContact CD1-CD2 4.39Å; I190-Y196 HydrophobicContact CG1-CD2 4.08Å; I190-Y196 HydrophobicContact CG2-CD2 4.45Å; I190-V198 HydrophobicContact CG2-CG1 4.04Å |
| 191 | F | 80 | Confident | 77.4 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -33.7 | 177.5 | -60.7 | -55.2 | 0 | 0 | 0 | 113 | L187 V198 M229 P244 V249 L251 | L187-F191 HydrophobicContact CB-CE2 4.27Å; L187-F191 WeakPolarHBondContact O-CD2 3.15Å; L187-F191 WeakPolarHBondContact O-CG 3.36Å; L187-F191 PolarHBondContact O-N 2.67Å; F191-V198 HydrophobicContact CD1-CG1 4.44Å; F191-V198 HydrophobicContact CD1-CG2 4.15Å; F191-V198 HydrophobicContact CE1-CB 4.42Å; F191-V198 HydrophobicContact CE1-CG1 4.14Å; F191-V198 HydrophobicContact CE1-CG2 4.02Å; F191-M229 HydrophobicContact CD1-CE 4.2Å; F191-M229 HydrophobicContact CD1-SD 4Å; F191-M229 HydrophobicContact CE1-CE 4.12Å; F191-M229 HydrophobicContact CE1-SD 4.5Å; F191-P244 HydrophobicContact CB-CB 3.81Å; F191-P244 HydrophobicContact CB-CG 4.25Å; F191-P244 WeakPolarHBondContact O-CG 3.39Å; F191-V249 HydrophobicContact CD2-CB 4.44Å; F191-V249 HydrophobicContact CE1-CG1 4.1Å; F191-V249 HydrophobicContact CE2-CB 4.35Å; F191-V249 HydrophobicContact CE2-CG1 4.21Å; F191-V249 WeakPolarHBondContact CE2-O 3.43Å; F191-V249 HydrophobicContact CZ-CG1 3.9Å; F191-L251 HydrophobicContact CZ-CD1 4.34Å; F191-L251 HydrophobicContact CZ-CG 3.99Å |
| 192 | S | 71.5 | Confident | 77.6 | Confident | 34 Ų | 34 | 59.4 Ų | 59.4 | 24% | 0.238 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -81.3 | -40.4 | -176.5 | -62.5 | 0 | 0 | 0 | 0 | 113.9 | Q188 E189 I190 | Q188-S192 WeakPolarHBondContact O-CB 3.32Å; Q188-S192 PolarHBondContact O-N 2.74Å; Q188-S192 PolarHBondContact O-OG 2.9Å; E189-S192 PolarHBondContact O-N 3.07Å; I190-S192 VanDerWaalsContact C-N 3.34Å; I190-S192 PolarHBondContact O-N 2.99Å |
| 193 | R | 67.9 | Low | 77.8 | Confident | 132 Ų | 132 | 58.4 Ų | 58.4 | 50% | 0.498 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -99.2 | -17 | -176.6 | -64.5 | -173.7 | 171.1 | -174.3 | -15.4 | 113.2 | E189 R227 | E189-R193 HydrophobicContact CG-CG 4.15Å; E189-R193 WeakPolarHBondContact O-CB 3.45Å; E189-R193 PolarHBondContact O-N 2.87Å; E189-R193 WeakPolarHBondContact OE1-CD 3.37Å; E189-R193 IonicContact OE1-CZ 3.82Å; E189-R193 IonicContact OE1-NE 2.68Å; E189-R193 IonicContact OE1-NH1 3.73Å; E189-R193 PolarHBondContact OE1-NH1 3.23Å; R193-R227 PolarHBondContact O-NH1 2.96Å; R193-R227 PolarHBondContact O-NH2 2.84Å |
| 194 | G | 62.1 | Low | 78.2 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | 44.6 | 53.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | I190 Y196 R227 | I190-G194 WeakPolarHBondContact O-CA 3.49Å; I190-G194 PolarHBondContact O-N 3.28Å; G194-Y196 VanDerWaalsContact C-N 3.26Å; G194-R227 VanDerWaalsContact CA-NH1 3.34Å; G194-R227 PolarHBondContact O-NH1 3.19Å | ||
| 195 | P | 60.9 | Low | 78.6 | Confident | 84 Ų | 84 | 55.2 Ų | 55.2 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -80.7 | -3.6 | 168.8 | 34.3 | -33.6 | 0 | 0 | 0 | 113.2 | ||
| 196 | Y | 66.3 | Low | 79 | Confident | 146 Ų | 146 | 52.6 Ų | 52.6 | 57% | 0.573 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -140.2 | 145.5 | 175.4 | -53.3 | -79.1 | 0 | 0 | 0 | 109.8 | I190 G194 | I190-Y196 HydrophobicContact CD1-CD2 4.39Å; I190-Y196 HydrophobicContact CG1-CD2 4.08Å; I190-Y196 HydrophobicContact CG2-CD2 4.45Å; G194-Y196 VanDerWaalsContact C-N 3.26Å |
| 197 | S | 71.1 | Confident | 79.3 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 51% | 0.51 | 27% | 0.27 | S | S | . | . | trans | -74.8 | 131.3 | 169 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | Q199 | S197-Q199 VanDerWaalsContact OG-CB 3.32Å; S197-Q199 WeakPolarHBondContact OG-CB 3.41Å; S197-Q199 PolarHBondContact OG-N 3.05Å | ||
| 198 | V | 78 | Confident | 79.1 | Confident | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | trans | -103.2 | 15.6 | 169.5 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | I190 F191 H201 V219 M229 | I190-V198 HydrophobicContact CG2-CG1 4.04Å; F191-V198 HydrophobicContact CD1-CG1 4.44Å; F191-V198 HydrophobicContact CD1-CG2 4.15Å; F191-V198 HydrophobicContact CE1-CB 4.42Å; F191-V198 HydrophobicContact CE1-CG1 4.14Å; F191-V198 HydrophobicContact CE1-CG2 4.02Å; V198-H201 WeakPolarHBondContact O-CB 3.4Å; V198-H201 PolarHBondContact O-N 2.92Å; V198-H201 PolarHBondContact O-ND1 2.82Å; V198-V219 HydrophobicContact CG2-CG2 4.34Å; V198-V219 WeakPolarHBondContact O-CB 3.43Å; V198-M229 HydrophobicContact CG2-CE 3.65Å; V198-M229 HydrophobicContact CG2-SD 4.44Å | ||
| 199 | Q | 82.9 | Confident | 78.8 | Confident | 98 Ų | 98 | 60.5 Ų | 60.5 | 46% | 0.458 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 147.9 | 175.3 | -162.6 | 174.8 | 9.6 | 0 | 0 | 111.4 | S197 H201 S220 | S197-Q199 VanDerWaalsContact OG-CB 3.32Å; S197-Q199 WeakPolarHBondContact OG-CB 3.41Å; S197-Q199 PolarHBondContact OG-N 3.05Å; Q199-H201 PolarHBondContact O-N 2.89Å; Q199-H201 PolarHBondContact O-ND1 2.86Å; Q199-S220 PolarHBondContact NE2-O 2.73Å |
| 200 | G | 83.5 | Confident | 78.4 | Confident | 56 Ų | 56 | 60.1 Ų | 60.1 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | -9.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V219 | G200-V219 PolarHBondContact N-O 3.3Š|
| 201 | H | 86.5 | Confident | 77.7 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | trans | -81.6 | 150.3 | 179.8 | -68.5 | 68 | 0 | 0 | 0 | 112.5 | V198 Q199 V218 V219 L251 | V198-H201 WeakPolarHBondContact O-CB 3.4Å; V198-H201 PolarHBondContact O-N 2.92Å; V198-H201 PolarHBondContact O-ND1 2.82Å; Q199-H201 PolarHBondContact O-N 2.89Å; Q199-H201 PolarHBondContact O-ND1 2.86Å; H201-V218 WeakPolarHBondContact O-CA 3.4Å; H201-V219 PolarHBondContact O-N 3.17Å; H201-L251 HydrophobicContact CB-CD2 3.5Å | ||
| 202 | R | 90.9 | Very high | 76.9 | Confident | 119 Ų | 119 | 75 Ų | 75 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 130.7 | 170.6 | -73.2 | -178.2 | -65.7 | -165.4 | 0.6 | 110.4 | G217 V218 M252 N254 | R202-G217 WeakPolarHBondContact CA-O 3.35Å; R202-V218 HydrophobicContact CG-CG2 4Å; R202-M252 HydrophobicContact CB-CB 4.03Å; R202-M252 HydrophobicContact CB-CG 4.3Å; R202-M252 HydrophobicContact CB-SD 4.12Å; R202-M252 PolarHBondContact O-N 2.82Å; R202-N254 PolarHBondContact NH2-OD1 2.89Å |
| 203 | V | 90.4 | Very high | 76.9 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.8 | 179.4 | -68 | 0 | 0 | 0 | 0 | 111 | G217 V219 M229 V231 V249 M250 L251 | V203-G217 PolarHBondContact N-O 3.46Å; V203-G217 PolarHBondContact O-N 2.92Å; V203-V219 HydrophobicContact CB-CG2 4.47Å; V203-V219 HydrophobicContact CG1-CG2 3.75Å; V203-V219 HydrophobicContact CG2-CG2 3.84Å; V203-M229 HydrophobicContact CG1-CE 4.45Å; V203-V231 HydrophobicContact CG2-CG1 3.78Å; V203-V231 HydrophobicContact CG2-CG2 4Å; V203-V249 HydrophobicContact CB-CG1 3.97Å; V203-V249 HydrophobicContact CG1-CG1 4.07Å; V203-M250 CarbonylContact C-O 3.57Å; V203-M250 VanDerWaalsContact CA-O 3.25Å; V203-M250 WeakPolarHBondContact CA-O 3.42Å; V203-M250 WeakPolarHBondContact CB-O 3.41Å; V203-L251 HydrophobicContact CG1-CD2 4.42Å |
| 204 | K | 91.3 | Very high | 77.8 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 24% | 0.243 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.1 | 162.6 | 58.6 | 176.7 | -175.7 | 177.6 | 0 | 109.2 | W214 L215 Y216 V249 M250 | K204-W214 HydrophobicContact CB-CD2 4.46Å; K204-W214 HydrophobicContact CB-CE3 3.77Å; K204-W214 HydrophobicContact CB-CZ3 4.34Å; K204-W214 HydrophobicContact CD-CD2 3.98Å; K204-W214 HydrophobicContact CD-CE3 3.78Å; K204-W214 HydrophobicContact CD-CH2 4.47Å; K204-W214 HydrophobicContact CD-CZ3 4.05Å; K204-W214 HydrophobicContact CG-CD2 4.32Å; K204-W214 HydrophobicContact CG-CE3 3.62Å; K204-W214 HydrophobicContact CG-CZ3 3.77Å; K204-L215 CarbonylContact C-O 3.56Å; K204-L215 WeakPolarHBondContact CA-O 3.33Å; K204-Y216 HydrophobicContact CB-CD1 4.01Å; K204-Y216 HydrophobicContact CB-CE1 4.04Å; K204-V249 WeakPolarHBondContact O-CA 3.37Å; K204-M250 HydrophobicContact CD-CB 4.44Å; K204-M250 WeakPolarHBondContact CE-SD 3.24Å; K204-M250 HydrophobicContact CG-CB 3.95Å; K204-M250 PolarHBondContact N-O 3.26Å; K204-M250 PolarHBondContact NZ-SD 2.89Å; K204-M250 PolarHBondContact O-N 3.26Å |
| 205 | I | 90.1 | Very high | 79.1 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131 | -177.3 | -56.9 | 150.5 | 0 | 0 | 0 | 108.3 | W214 L215 V231 V242 I247 V249 | I205-W214 CarbonylContact O-C 3.23Å; I205-W214 WeakPolarHBondContact O-CA 3.4Å; I205-L215 HydrophobicContact CD1-CD2 4.33Å; I205-L215 PolarHBondContact N-O 2.84Å; I205-L215 PolarHBondContact O-N 2.96Å; I205-V231 HydrophobicContact CD1-CB 3.79Å; I205-V231 HydrophobicContact CD1-CG1 3.7Å; I205-V231 HydrophobicContact CD1-CG2 3.96Å; I205-V242 HydrophobicContact CD1-CG2 3.87Å; I205-V242 HydrophobicContact CG1-CG2 4.34Å; I205-V242 HydrophobicContact CG2-CG1 3.91Å; I205-V242 HydrophobicContact CG2-CG2 4.09Å; I205-I247 HydrophobicContact CG2-CG2 3.73Å; I205-V249 HydrophobicContact CG1-CG2 4.46Å |
| 206 | Y | 89.6 | Confident | 80.5 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 2% | 0.02 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 139.9 | 177 | -157.6 | -87.9 | 0 | 0 | 0 | 112.7 | R53 F66 E68 H77 P208 G213 W214 I247 H248 | R53-Y206 HydrophobicContact CB-CD1 3.59Å; R53-Y206 HydrophobicContact CB-CD2 4.02Å; R53-Y206 HydrophobicContact CB-CE1 3.55Å; R53-Y206 HydrophobicContact CB-CE2 3.97Å; R53-Y206 HydrophobicContact CB-CG 3.8Å; R53-Y206 VanDerWaalsContact CD-CE2 3.48Å; R53-Y206 HydrophobicContact CG-CD1 4.31Å; R53-Y206 HydrophobicContact CG-CD2 3.95Å; R53-Y206 HydrophobicContact CG-CE1 3.98Å; R53-Y206 HydrophobicContact CG-CE2 3.58Å; R53-Y206 HydrophobicContact CG-CG 4.27Å; F66-Y206 AromaticContact CD1-CE1 3.93Å; F66-Y206 HydrophobicContact CD1-CE1 3.93Å; F66-Y206 AromaticContact CE1-CE1 3.74Å; F66-Y206 HydrophobicContact CE1-CE1 3.74Å; E68-Y206 WeakPolarHBondContact OE2-CE2 3.49Å; E68-Y206 VanDerWaalsContact OE2-CZ 3.31Å; E68-Y206 PolarHBondContact OE2-OH 3.07Å; H77-Y206 PolarHBondContact CE1-OH 3.25Å; H77-Y206 VanDerWaalsContact CE1-OH 3.28Å; H77-Y206 PolarHBondContact ND1-OH 2.84Å; Y206-P208 HydrophobicContact CD1-CG 4.21Å; Y206-G213 CarbonylContact C-O 3.59Å; Y206-G213 WeakPolarHBondContact CA-O 3.28Å; Y206-G213 WeakPolarHBondContact CD2-O 3.28Å; Y206-W214 AromaticContact CD2-CD2 3.98Å; Y206-W214 HydrophobicContact CD2-CD2 3.98Å; Y206-W214 AromaticContact CD2-CE2 3.69Å; Y206-W214 HydrophobicContact CD2-CE3 4.28Å; Y206-W214 HydrophobicContact CD2-CH2 4.14Å; Y206-W214 AromaticContact CD2-CZ2 3.8Å; Y206-W214 HydrophobicContact CD2-CZ2 3.8Å; Y206-W214 HydrophobicContact CD2-CZ3 4.35Å; Y206-W214 HydrophobicContact CE2-CZ2 4.38Å; Y206-I247 WeakPolarHBondContact O-CG2 3.31Å; Y206-H248 WeakPolarHBondContact CB-O 3.21Å; Y206-H248 PolarHBondContact N-O 3.38Å |
| 207 | Q | 86.5 | Confident | 81.6 | Confident | 57 Ų | 57 | 64 Ų | 64 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | trans | -120.1 | 106.6 | 170.9 | -73.2 | -167.8 | 21.9 | 0 | 0 | 111.2 | E209 G210 G213 L215 | Q207-E209 PolarHBondContact O-N 2.8Å; Q207-E209 VanDerWaalsContact O-N 3.1Å; Q207-G210 PolarHBondContact O-N 2.55Å; Q207-G213 PolarHBondContact N-O 1.83Å; Q207-L215 HydrophobicContact CG-CB 4.38Å | ||
| 208 | P | 77.4 | Confident | 82.6 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 22% | 0.221 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -14.7 | 177.6 | -25.4 | 36.1 | 0 | 0 | 0 | 115.5 | A54 F66 W79 Y206 | A54-P208 HydrophobicContact CB-CG 3.5Å; F66-P208 HydrophobicContact CD1-CB 3.91Å; F66-P208 HydrophobicContact CD1-CG 4.29Å; F66-P208 HydrophobicContact CD2-CB 3.91Å; F66-P208 HydrophobicContact CE1-CB 3.99Å; F66-P208 HydrophobicContact CE2-CB 3.97Å; F66-P208 HydrophobicContact CG-CB 3.85Å; F66-P208 HydrophobicContact CG-CG 4.32Å; F66-P208 HydrophobicContact CZ-CB 4Å; F66-P208 WeakPolarHBondContact CZ-O 3.17Å; W79-P208 HydrophobicContact CZ2-CB 4.24Å; W79-P208 HydrophobicContact CZ2-CG 4.47Å; Y206-P208 HydrophobicContact CD1-CG 4.21Å |
| 209 | E | 73.1 | Confident | 83.1 | Confident | 182 Ų | 182 | 62.3 Ų | 62.3 | 85% | 0.85 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | 2.3 | -171.7 | -59.7 | 179.8 | 167.5 | 0 | 0 | 112.8 | Q207 | Q207-E209 PolarHBondContact O-N 2.8Å; Q207-E209 VanDerWaalsContact O-N 3.1Å |
| 210 | G | 68.8 | Low | 83.3 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | trans | -94.9 | 149.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q207 | Q207-G210 PolarHBondContact O-N 2.55Š| ||
| 211 | E | 63.5 | Low | 83.5 | Confident | 210 Ų | 210 | 60.7 Ų | 60.7 | 98% | 0.981 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -67.4 | -38.6 | 171.7 | -63.1 | -166.7 | 142.4 | 0 | 0 | 111.3 | ||
| 212 | E | 61.5 | Low | 83.2 | Confident | 139 Ų | 139 | 57.6 Ų | 57.6 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -92.8 | 100.1 | 165.3 | -63.4 | -170.1 | 161.4 | 0 | 0 | 108.6 | W214 | E212-W214 PolarHBondContact O-N 3.37Š|
| 213 | G | 72.9 | Confident | 82.7 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -66 | -2.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y206 Q207 | Y206-G213 CarbonylContact C-O 3.59Å; Y206-G213 WeakPolarHBondContact CA-O 3.28Å; Y206-G213 WeakPolarHBondContact CD2-O 3.28Å; Q207-G213 PolarHBondContact N-O 1.83Å |
| 214 | W | 87 | Confident | 81.8 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.2 | 174 | -71.4 | 100.8 | 0 | 0 | 0 | 110.2 | K204 I205 Y206 E212 H248 M250 | K204-W214 HydrophobicContact CB-CD2 4.46Å; K204-W214 HydrophobicContact CB-CE3 3.77Å; K204-W214 HydrophobicContact CB-CZ3 4.34Å; K204-W214 HydrophobicContact CD-CD2 3.98Å; K204-W214 HydrophobicContact CD-CE3 3.78Å; K204-W214 HydrophobicContact CD-CH2 4.47Å; K204-W214 HydrophobicContact CD-CZ3 4.05Å; K204-W214 HydrophobicContact CG-CD2 4.32Å; K204-W214 HydrophobicContact CG-CE3 3.62Å; K204-W214 HydrophobicContact CG-CZ3 3.77Å; I205-W214 CarbonylContact O-C 3.23Å; I205-W214 WeakPolarHBondContact O-CA 3.4Å; Y206-W214 AromaticContact CD2-CD2 3.98Å; Y206-W214 HydrophobicContact CD2-CD2 3.98Å; Y206-W214 AromaticContact CD2-CE2 3.69Å; Y206-W214 HydrophobicContact CD2-CE3 4.28Å; Y206-W214 HydrophobicContact CD2-CH2 4.14Å; Y206-W214 AromaticContact CD2-CZ2 3.8Å; Y206-W214 HydrophobicContact CD2-CZ2 3.8Å; Y206-W214 HydrophobicContact CD2-CZ3 4.35Å; Y206-W214 HydrophobicContact CE2-CZ2 4.38Å; E212-W214 PolarHBondContact O-N 3.37Å; W214-H248 AromaticContact CH2-CD2 3.61Å; W214-H248 AromaticContact CH2-NE2 3.96Å; W214-M250 HydrophobicContact CH2-CG 3.84Å; W214-M250 HydrophobicContact CH2-SD 3.68Å; W214-M250 HydrophobicContact CZ2-SD 4.17Å; W214-M250 HydrophobicContact CZ3-CG 4.18Å; W214-M250 HydrophobicContact CZ3-SD 4.46Å |
| 215 | L | 88 | Confident | 81 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.2 | 173.9 | -172.4 | 82.5 | 0 | 0 | 0 | 110.4 | K204 I205 Q207 V233 K240 | K204-L215 CarbonylContact C-O 3.56Å; K204-L215 WeakPolarHBondContact CA-O 3.33Å; I205-L215 HydrophobicContact CD1-CD2 4.33Å; I205-L215 PolarHBondContact N-O 2.84Å; I205-L215 PolarHBondContact O-N 2.96Å; Q207-L215 HydrophobicContact CG-CB 4.38Å; L215-V233 HydrophobicContact CD1-CG1 3.78Å; L215-V233 HydrophobicContact CD2-CB 4.44Å; L215-V233 HydrophobicContact CD2-CG1 3.99Å; L215-V233 HydrophobicContact CD2-CG2 3.57Å; L215-V233 HydrophobicContact CG-CG1 3.95Å; L215-V233 HydrophobicContact CG-CG2 4.41Å; L215-K240 HydrophobicContact CD2-CD 3.86Å |
| 216 | Y | 90.7 | Very high | 80.4 | Confident | 86 Ų | 86 | 64 Ų | 64 | 34% | 0.337 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 144.2 | -179.6 | -55.4 | -78.6 | 0 | 0 | 0 | 112.5 | K204 V233 T234 M252 | K204-Y216 HydrophobicContact CB-CD1 4.01Å; K204-Y216 HydrophobicContact CB-CE1 4.04Å; Y216-V233 WeakPolarHBondContact O-CA 3.45Å; Y216-T234 WeakPolarHBondContact CB-OG1 3.45Å; Y216-T234 PolarHBondContact O-N 3.01Å; Y216-T234 PolarHBondContact O-OG1 3.02Å; Y216-M252 HydrophobicContact CD1-CE 3.91Å; Y216-M252 HydrophobicContact CD1-SD 3.83Å; Y216-M252 HydrophobicContact CE1-CE 4.14Å |
| 217 | G | 90.4 | Very high | 79.8 | Confident | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 179.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R202 V203 S232 | R202-G217 WeakPolarHBondContact CA-O 3.35Å; V203-G217 PolarHBondContact N-O 3.46Å; V203-G217 PolarHBondContact O-N 2.92Å; G217-S232 CarbonylContact C-O 3.59Å; G217-S232 WeakPolarHBondContact CA-O 3.16Å |
| 218 | V | 90.9 | Very high | 79.8 | Confident | 44 Ų | 44 | 67 Ų | 67 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.4 | 173.6 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | H201 R202 S220 V231 S232 | H201-V218 WeakPolarHBondContact O-CA 3.4Å; R202-V218 HydrophobicContact CG-CG2 4Å; V218-S220 PolarHBondContact O-N 3.33Å; V218-S220 VanDerWaalsContact O-N 3.11Å; V218-V231 CarbonylContact O-C 3.58Å; V218-V231 WeakPolarHBondContact O-CA 3.31Å; V218-V231 WeakPolarHBondContact O-CG1 3.49Å; V218-S232 PolarHBondContact N-O 2.87Å; V218-S232 PolarHBondContact O-N 2.87Å; V218-S232 PolarHBondContact O-OG 3.05Å; V218-S232 VanDerWaalsContact O-OG 3.08Å |
| 219 | V | 89.2 | Confident | 80.2 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 108.3 | 176.5 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | V198 G200 H201 V203 Q222 M229 E230 V231 | V198-V219 HydrophobicContact CG2-CG2 4.34Å; V198-V219 WeakPolarHBondContact O-CB 3.43Å; G200-V219 PolarHBondContact N-O 3.3Å; H201-V219 PolarHBondContact O-N 3.17Å; V203-V219 HydrophobicContact CB-CG2 4.47Å; V203-V219 HydrophobicContact CG1-CG2 3.75Å; V203-V219 HydrophobicContact CG2-CG2 3.84Å; V219-Q222 HydrophobicContact CG1-CB 4.43Å; V219-M229 HydrophobicContact CG1-CE 4.17Å; V219-M229 HydrophobicContact CG2-CE 3.48Å; V219-M229 VanDerWaalsContact CG2-CE 3.48Å; V219-E230 CarbonylContact C-O 3.52Å; V219-E230 WeakPolarHBondContact CA-O 3.27Å; V219-V231 HydrophobicContact CG2-CG2 4.35Å |
| 220 | S | 87.5 | Confident | 81.1 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -34.6 | -178.4 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | Q199 V218 E230 | Q199-S220 PolarHBondContact NE2-O 2.73Å; V218-S220 PolarHBondContact O-N 3.33Å; V218-S220 VanDerWaalsContact O-N 3.11Å; S220-E230 PolarHBondContact N-O 3.32Å; S220-E230 WeakPolarHBondContact OG-CB 3.45Å; S220-E230 PolarHBondContact OG-O 3Å |
| 221 | H | 86.2 | Confident | 82.1 | Confident | 81 Ų | 81 | 59 Ų | 59 | 38% | 0.375 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 152.2 | 177.7 | 178.8 | -97.8 | 0 | 0 | 0 | 109.8 | E230 | H221-E230 HydrophobicContact CB-CB 4.09Å; H221-E230 HydrophobicContact CB-CG 4.33Å; H221-E230 PolarHBondContact N-O 3.31Å; H221-E230 PolarHBondContact O-N 3.38Å |
| 222 | Q | 81.9 | Confident | 83.4 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 12% | 0.121 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 119.9 | 175.1 | -179 | -178.7 | -0.5 | 0 | 0 | 109.3 | V219 S224 M229 | V219-Q222 HydrophobicContact CG1-CB 4.43Å; Q222-S224 PolarHBondContact O-N 3.15Å; Q222-M229 HydrophobicContact CG-CG 4.23Å |
| 223 | D | 80.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 44.5 Ų | 44.5 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | trans | -79.3 | 114.1 | 176.6 | -174.6 | -37 | 0 | 0 | 0 | 109.5 | I225 T226 R227 L228 | D223-I225 VanDerWaalsContact C-N 3.29Å; D223-I225 PolarHBondContact O-N 2.91Å; D223-I225 WeakPolarHBondContact OD1-CA 3.36Å; D223-I225 PolarHBondContact OD1-N 2.7Å; D223-T226 WeakPolarHBondContact CB-OG1 3.43Å; D223-T226 PolarHBondContact OD1-N 3.38Å; D223-T226 WeakPolarHBondContact OD2-CG2 3.44Å; D223-T226 PolarHBondContact OD2-OG1 3.32Å; D223-T226 VanDerWaalsContact OD2-OG1 3.08Å; D223-R227 WeakPolarHBondContact O-CA 3.36Å; D223-R227 PolarHBondContact O-N 2.82Å; D223-L228 HydrophobicContact CB-CB 4.4Å; D223-L228 PolarHBondContact N-O 2.91Å | ||
| 224 | S | 71.5 | Confident | 85.2 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -28.7 | 180 | 54.3 | 0 | 0 | 0 | 0 | 113 | Q222 R227 | Q222-S224 PolarHBondContact O-N 3.15Å; S224-R227 VanDerWaalsContact O-CD 3.28Å; S224-R227 WeakPolarHBondContact O-CD 3.32Å; S224-R227 PolarHBondContact O-NE 3.19Å; S224-R227 VanDerWaalsContact O-NE 3.1Å; S224-R227 PolarHBondContact O-NH1 3.07Å |
| 225 | I | 73.3 | Confident | 84.7 | Confident | 140 Ų | 140 | 51.1 Ų | 51.1 | 72% | 0.718 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -54.7 | -174.2 | -57.9 | 175.9 | 0 | 0 | 0 | 110.4 | D223 R227 | D223-I225 VanDerWaalsContact C-N 3.29Å; D223-I225 PolarHBondContact O-N 2.91Å; D223-I225 WeakPolarHBondContact OD1-CA 3.36Å; D223-I225 PolarHBondContact OD1-N 2.7Å; I225-R227 VanDerWaalsContact C-N 3.29Å; I225-R227 PolarHBondContact O-N 3.32Å |
| 226 | T | 77.9 | Confident | 84.2 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 34% | 0.344 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -14.1 | -179.2 | 79.2 | 0 | 0 | 0 | 0 | 112.8 | D223 L228 R245 | D223-T226 WeakPolarHBondContact CB-OG1 3.43Å; D223-T226 PolarHBondContact OD1-N 3.38Å; D223-T226 WeakPolarHBondContact OD2-CG2 3.44Å; D223-T226 PolarHBondContact OD2-OG1 3.32Å; D223-T226 VanDerWaalsContact OD2-OG1 3.08Å; T226-L228 PolarHBondContact O-N 2.68Å; T226-L228 WeakPolarHBondContact OG1-CB 3.47Å; T226-L228 WeakPolarHBondContact OG1-CD1 3.48Å; T226-L228 VanDerWaalsContact OG1-CG 3.25Å; T226-L228 WeakPolarHBondContact OG1-CG 3.48Å; T226-L228 PolarHBondContact OG1-N 3.1Å; T226-R245 PolarHBondContact O-NH1 2.82Å; T226-R245 PolarHBondContact O-NH2 3.14Å |
| 227 | R | 77.8 | Confident | 83.6 | Confident | 67 Ų | 67 | 52 Ų | 52 | 25% | 0.253 | 30% | 0.3 | S | S | . | . | trans | 62.3 | 22.1 | -171.9 | -48.3 | -59.1 | -176.8 | 173.2 | 5 | 114.2 | R193 G194 D223 S224 I225 P244 | R193-R227 PolarHBondContact O-NH1 2.96Å; R193-R227 PolarHBondContact O-NH2 2.84Å; G194-R227 VanDerWaalsContact CA-NH1 3.34Å; G194-R227 PolarHBondContact O-NH1 3.19Å; D223-R227 WeakPolarHBondContact O-CA 3.36Å; D223-R227 PolarHBondContact O-N 2.82Å; S224-R227 VanDerWaalsContact O-CD 3.28Å; S224-R227 WeakPolarHBondContact O-CD 3.32Å; S224-R227 PolarHBondContact O-NE 3.19Å; S224-R227 VanDerWaalsContact O-NE 3.1Å; S224-R227 PolarHBondContact O-NH1 3.07Å; I225-R227 VanDerWaalsContact C-N 3.29Å; I225-R227 PolarHBondContact O-N 3.32Å; R227-P244 WeakPolarHBondContact O-CD 3.44Å | ||
| 228 | L | 86 | Confident | 83.4 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 134.6 | 176.7 | -70.5 | 172.7 | 0 | 0 | 0 | 110.5 | D223 T226 D243 | D223-L228 HydrophobicContact CB-CB 4.4Å; D223-L228 PolarHBondContact N-O 2.91Å; T226-L228 PolarHBondContact O-N 2.68Å; T226-L228 WeakPolarHBondContact OG1-CB 3.47Å; T226-L228 WeakPolarHBondContact OG1-CD1 3.48Å; T226-L228 VanDerWaalsContact OG1-CG 3.25Å; T226-L228 WeakPolarHBondContact OG1-CG 3.48Å; T226-L228 PolarHBondContact OG1-N 3.1Å; L228-D243 HydrophobicContact CD2-CB 3.76Å |
| 229 | M | 87.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.3 | 174.2 | -63.9 | 173.3 | 63.3 | 0 | 0 | 109 | F191 V198 V203 V219 Q222 V231 S241 V242 P244 V249 | F191-M229 HydrophobicContact CD1-CE 4.2Å; F191-M229 HydrophobicContact CD1-SD 4Å; F191-M229 HydrophobicContact CE1-CE 4.12Å; F191-M229 HydrophobicContact CE1-SD 4.5Å; V198-M229 HydrophobicContact CG2-CE 3.65Å; V198-M229 HydrophobicContact CG2-SD 4.44Å; V203-M229 HydrophobicContact CG1-CE 4.45Å; V219-M229 HydrophobicContact CG1-CE 4.17Å; V219-M229 HydrophobicContact CG2-CE 3.48Å; V219-M229 VanDerWaalsContact CG2-CE 3.48Å; Q222-M229 HydrophobicContact CG-CG 4.23Å; M229-V231 HydrophobicContact CB-CG2 4.34Å; M229-S241 CarbonylContact O-C 3.45Å; M229-S241 WeakPolarHBondContact O-CA 2.91Å; M229-V242 PolarHBondContact N-O 2.89Å; M229-V242 PolarHBondContact O-N 2.71Å; M229-P244 HydrophobicContact CG-CG 4.43Å; M229-P244 HydrophobicContact SD-CB 4.12Å; M229-P244 HydrophobicContact SD-CG 3.94Å; M229-V249 HydrophobicContact CE-CG1 4.23Å |
| 230 | E | 90.1 | Very high | 83.1 | Confident | 77 Ų | 77 | 63 Ų | 63 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.7 | 162.6 | -64.6 | -159.2 | 149.4 | 0 | 0 | 109.1 | V219 S220 H221 I239 | V219-E230 CarbonylContact C-O 3.52Å; V219-E230 WeakPolarHBondContact CA-O 3.27Å; S220-E230 PolarHBondContact N-O 3.32Å; S220-E230 WeakPolarHBondContact OG-CB 3.45Å; S220-E230 PolarHBondContact OG-O 3Å; H221-E230 HydrophobicContact CB-CB 4.09Å; H221-E230 HydrophobicContact CB-CG 4.33Å; H221-E230 PolarHBondContact N-O 3.31Å; H221-E230 PolarHBondContact O-N 3.38Å; E230-I239 HydrophobicContact CB-CG2 3.76Å; E230-I239 HydrophobicContact CG-CG2 4.24Å |
| 231 | V | 90.6 | Very high | 83.2 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 117.8 | -179 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | V203 I205 V218 V219 M229 V233 K240 | V203-V231 HydrophobicContact CG2-CG1 3.78Å; V203-V231 HydrophobicContact CG2-CG2 4Å; I205-V231 HydrophobicContact CD1-CB 3.79Å; I205-V231 HydrophobicContact CD1-CG1 3.7Å; I205-V231 HydrophobicContact CD1-CG2 3.96Å; V218-V231 CarbonylContact O-C 3.58Å; V218-V231 WeakPolarHBondContact O-CA 3.31Å; V218-V231 WeakPolarHBondContact O-CG1 3.49Å; V219-V231 HydrophobicContact CG2-CG2 4.35Å; M229-V231 HydrophobicContact CB-CG2 4.34Å; V231-V233 PolarHBondContact O-N 3.39Å; V231-K240 PolarHBondContact N-O 2.79Å; V231-K240 PolarHBondContact O-N 3.02Å |
| 232 | S | 90.3 | Very high | 83.4 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 114.4 | 170.5 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | G217 V218 E238 | G217-S232 CarbonylContact C-O 3.59Å; G217-S232 WeakPolarHBondContact CA-O 3.16Å; V218-S232 PolarHBondContact N-O 2.87Å; V218-S232 PolarHBondContact O-N 2.87Å; V218-S232 PolarHBondContact O-OG 3.05Å; V218-S232 VanDerWaalsContact O-OG 3.08Å; S232-E238 WeakPolarHBondContact CA-O 3.48Å |
| 233 | V | 89.5 | Confident | 83.7 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.8 | -173.7 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | L215 Y216 V231 E235 G237 E238 K240 | L215-V233 HydrophobicContact CD1-CG1 3.78Å; L215-V233 HydrophobicContact CD2-CB 4.44Å; L215-V233 HydrophobicContact CD2-CG1 3.99Å; L215-V233 HydrophobicContact CD2-CG2 3.57Å; L215-V233 HydrophobicContact CG-CG1 3.95Å; L215-V233 HydrophobicContact CG-CG2 4.41Å; Y216-V233 WeakPolarHBondContact O-CA 3.45Å; V231-V233 PolarHBondContact O-N 3.39Å; V233-E235 VanDerWaalsContact C-N 3.25Å; V233-E235 PolarHBondContact O-N 3.19Å; V233-G237 WeakPolarHBondContact O-CA 3.45Å; V233-G237 PolarHBondContact O-N 2.91Å; V233-E238 WeakPolarHBondContact CG2-O 3.33Å; V233-E238 PolarHBondContact N-O 3.27Å; V233-K240 HydrophobicContact CG2-CB 4.45Å; V233-K240 HydrophobicContact CG2-CD 3.96Å; V233-K240 HydrophobicContact CG2-CG 4.04Å |
| 234 | T | 83.8 | Confident | 84.1 | Confident | 91 Ų | 91 | 59 Ų | 59 | 56% | 0.558 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21.5 | -173.4 | 38.5 | 0 | 0 | 0 | 0 | 114.7 | Y216 | Y216-T234 WeakPolarHBondContact CB-OG1 3.45Å; Y216-T234 PolarHBondContact O-N 3.01Å; Y216-T234 PolarHBondContact O-OG1 3.02Å |
| 235 | E | 75.4 | Confident | 84.7 | Confident | 120 Ų | 120 | 59.3 Ų | 59.3 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -43.2 | -175.8 | -71 | 143.9 | -145.8 | 0 | 0 | 113.6 | V233 | V233-E235 VanDerWaalsContact C-N 3.25Å; V233-E235 PolarHBondContact O-N 3.19Å |
| 236 | S | 78.3 | Confident | 85.5 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -17.7 | -179.4 | 66.2 | 0 | 0 | 0 | 0 | 114 | E238 | S236-E238 PolarHBondContact O-N 2.79Å; S236-E238 WeakPolarHBondContact OG-CB 3.49Å; S236-E238 WeakPolarHBondContact OG-CG 3.44Å; S236-E238 PolarHBondContact OG-N 2.8Å; S236-E238 PolarHBondContact OG-OE2 2.91Å |
| 237 | G | 78.7 | Confident | 86.1 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 62% | 0.619 | 30% | 0.304 | S | S | * | . | trans | 68.9 | 1.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V233 | V233-G237 WeakPolarHBondContact O-CA 3.45Å; V233-G237 PolarHBondContact O-N 2.91Å | ||
| 238 | E | 85.5 | Confident | 86.7 | Confident | 105 Ų | 105 | 52.7 Ų | 52.7 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | trans | -67.9 | 150.4 | 174.8 | -65.2 | 174.9 | 122.4 | 0 | 0 | 111.1 | S232 V233 S236 K240 | S232-E238 WeakPolarHBondContact CA-O 3.48Å; V233-E238 WeakPolarHBondContact CG2-O 3.33Å; V233-E238 PolarHBondContact N-O 3.27Å; S236-E238 PolarHBondContact O-N 2.79Å; S236-E238 WeakPolarHBondContact OG-CB 3.49Å; S236-E238 WeakPolarHBondContact OG-CG 3.44Å; S236-E238 PolarHBondContact OG-N 2.8Å; S236-E238 PolarHBondContact OG-OE2 2.91Å; E238-K240 WeakPolarHBondContact OE2-CE 3.43Å; E238-K240 IonicContact OE2-NZ 2.79Å | ||
| 239 | I | 87.1 | Confident | 86.9 | Confident | 101 Ų | 101 | 50 Ų | 50 | 52% | 0.518 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119.5 | 167.4 | -58.2 | 174.8 | 0 | 0 | 0 | 107.6 | E230 | E230-I239 HydrophobicContact CB-CG2 3.76Å; E230-I239 HydrophobicContact CG-CG2 4.24Å |
| 240 | K | 87 | Confident | 87 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.2 | 174.6 | -70.1 | -176.1 | -179.3 | 172.4 | 0 | 110.2 | L215 V231 V233 E238 | L215-K240 HydrophobicContact CD2-CD 3.86Å; V231-K240 PolarHBondContact N-O 2.79Å; V231-K240 PolarHBondContact O-N 3.02Å; V233-K240 HydrophobicContact CG2-CB 4.45Å; V233-K240 HydrophobicContact CG2-CD 3.96Å; V233-K240 HydrophobicContact CG2-CG 4.04Å; E238-K240 WeakPolarHBondContact OE2-CE 3.43Å; E238-K240 IonicContact OE2-NZ 2.79Å |
| 241 | S | 90.2 | Very high | 86.8 | Confident | 75 Ų | 75 | 49.9 Ų | 49.9 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.8 | 171.5 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | M229 | M229-S241 CarbonylContact O-C 3.45Å; M229-S241 WeakPolarHBondContact O-CA 2.91Å |
| 242 | V | 88.9 | Confident | 86.4 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.055 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.4 | -172.8 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | I205 M229 I247 V249 | I205-V242 HydrophobicContact CD1-CG2 3.87Å; I205-V242 HydrophobicContact CG1-CG2 4.34Å; I205-V242 HydrophobicContact CG2-CG1 3.91Å; I205-V242 HydrophobicContact CG2-CG2 4.09Å; M229-V242 PolarHBondContact N-O 2.89Å; M229-V242 PolarHBondContact O-N 2.71Å; V242-I247 HydrophobicContact CG1-CB 4.21Å; V242-I247 HydrophobicContact CG1-CD1 4.5Å; V242-I247 HydrophobicContact CG1-CG2 4.41Å; V242-V249 HydrophobicContact CG1-CG2 3.95Å |
| 243 | D | 89.4 | Confident | 85 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 15% | 0.15 | 32% | 0.317 | C | S | . | . | trans | -99.3 | 108.3 | 168.8 | -169.1 | -30.8 | 0 | 0 | 0 | 108.8 | L228 R245 L246 I247 | L228-D243 HydrophobicContact CD2-CB 3.76Å; D243-R245 PolarHBondContact O-N 2.7Å; D243-R245 WeakPolarHBondContact OD1-CB 3.34Å; D243-R245 WeakPolarHBondContact OD1-CG 3.43Å; D243-R245 IonicContact OD1-CZ 2.69Å; D243-R245 PolarHBondContact OD1-N 2.91Å; D243-R245 IonicContact OD1-NE 3.34Å; D243-R245 PolarHBondContact OD1-NE 3.03Å; D243-R245 IonicContact OD1-NH2 3.98Å; D243-R245 PolarHBondContact OD1-NH2 2.81Å; D243-R245 IonicContact OD2-CZ 2.98Å; D243-R245 IonicContact OD2-NE 2.84Å; D243-R245 PolarHBondContact OD2-NE 2.85Å; D243-R245 IonicContact OD2-NH2 3.38Å; D243-R245 PolarHBondContact OD2-NH2 2.93Å; D243-L246 HydrophobicContact CB-CB 4.17Å; D243-L246 HydrophobicContact CB-CD1 3.98Å; D243-L246 HydrophobicContact CB-CG 4.03Å; D243-L246 PolarHBondContact O-N 2.8Å; D243-I247 PolarHBondContact O-N 2.78Å | ||
| 244 | P | 87.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.5 | -178.3 | 28 | -34.5 | 0 | 0 | 0 | 112.9 | F191 R227 M229 L246 I247 V249 | F191-P244 HydrophobicContact CB-CB 3.81Å; F191-P244 HydrophobicContact CB-CG 4.25Å; F191-P244 WeakPolarHBondContact O-CG 3.39Å; R227-P244 WeakPolarHBondContact O-CD 3.44Å; M229-P244 HydrophobicContact CG-CG 4.43Å; M229-P244 HydrophobicContact SD-CB 4.12Å; M229-P244 HydrophobicContact SD-CG 3.94Å; P244-L246 VanDerWaalsContact C-N 3.25Å; P244-L246 PolarHBondContact O-N 2.71Å; P244-I247 CarbonylContact C-O 3.56Å; P244-I247 WeakPolarHBondContact CA-O 3.19Å; P244-V249 HydrophobicContact CB-CG2 4.13Å |
| 245 | R | 85.2 | Confident | 80.5 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -20.6 | 173.5 | -52.7 | 167.6 | -65.9 | -150.4 | -3.8 | 111.8 | S7 V9 M55 T226 D243 | S7-R245 PolarHBondContact OG-O 2.86Å; V9-R245 WeakPolarHBondContact CG2-O 3.11Å; M55-R245 VanDerWaalsContact SD-O 3.42Å; T226-R245 PolarHBondContact O-NH1 2.82Å; T226-R245 PolarHBondContact O-NH2 3.14Å; D243-R245 PolarHBondContact O-N 2.7Å; D243-R245 WeakPolarHBondContact OD1-CB 3.34Å; D243-R245 WeakPolarHBondContact OD1-CG 3.43Å; D243-R245 IonicContact OD1-CZ 2.69Å; D243-R245 PolarHBondContact OD1-N 2.91Å; D243-R245 IonicContact OD1-NE 3.34Å; D243-R245 PolarHBondContact OD1-NE 3.03Å; D243-R245 IonicContact OD1-NH2 3.98Å; D243-R245 PolarHBondContact OD1-NH2 2.81Å; D243-R245 IonicContact OD2-CZ 2.98Å; D243-R245 IonicContact OD2-NE 2.84Å; D243-R245 PolarHBondContact OD2-NE 2.85Å; D243-R245 IonicContact OD2-NH2 3.38Å; D243-R245 PolarHBondContact OD2-NH2 2.93Å |
| 246 | L | 89 | Confident | 78.1 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -24.8 | -177.2 | -59.2 | -179.5 | 0 | 0 | 0 | 113.7 | A54 M55 D243 P244 | A54-L246 CarbonylContact C-O 3.48Å; A54-L246 WeakPolarHBondContact CA-O 3.32Å; A54-L246 WeakPolarHBondContact CB-O 3.49Å; M55-L246 HydrophobicContact CE-CD2 4.38Å; M55-L246 HydrophobicContact CG-CD2 3.83Å; M55-L246 PolarHBondContact N-O 3.34Å; M55-L246 HydrophobicContact SD-CD2 4.21Å; D243-L246 HydrophobicContact CB-CB 4.17Å; D243-L246 HydrophobicContact CB-CD1 3.98Å; D243-L246 HydrophobicContact CB-CG 4.03Å; D243-L246 PolarHBondContact O-N 2.8Å; P244-L246 VanDerWaalsContact C-N 3.25Å; P244-L246 PolarHBondContact O-N 2.71Å |
| 247 | I | 89.9 | Confident | 75.7 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -133.5 | 133.4 | -176 | -63.1 | 177.2 | 0 | 0 | 0 | 109.3 | I205 Y206 V242 D243 P244 V249 | I205-I247 HydrophobicContact CG2-CG2 3.73Å; Y206-I247 WeakPolarHBondContact O-CG2 3.31Å; V242-I247 HydrophobicContact CG1-CB 4.21Å; V242-I247 HydrophobicContact CG1-CD1 4.5Å; V242-I247 HydrophobicContact CG1-CG2 4.41Å; D243-I247 PolarHBondContact O-N 2.78Å; P244-I247 CarbonylContact C-O 3.56Å; P244-I247 WeakPolarHBondContact CA-O 3.19Å; I247-V249 PolarHBondContact O-N 2.82Å; I247-V249 VanDerWaalsContact O-N 3.16Å |
| 248 | H | 91.7 | Very high | 73.2 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 2% | 0.023 | 39% | 0.39 | C | S | . | . | trans | -66.7 | 112.9 | -179.5 | -168.4 | 140.9 | 0 | 0 | 0 | 110.6 | V9 G10 V52 R53 Q188 Y206 W214 M250 | V9-H248 VanDerWaalsContact CG1-CA 3.45Å; V9-H248 HydrophobicContact CG1-CB 3.8Å; G10-H248 WeakPolarHBondContact CA-ND1 3.41Å; V52-H248 PolarHBondContact O-ND1 2.76Å; R53-H248 PolarHBondContact NH1-CE1 2.88Å; R53-H248 PolarHBondContact NH1-ND1 2.89Å; R53-H248 WeakPolarHBondContact O-CB 3.01Å; R53-H248 PolarHBondContact O-N 3.33Å; Q188-H248 PolarHBondContact NE2-NE2 3.45Å; Y206-H248 WeakPolarHBondContact CB-O 3.21Å; Y206-H248 PolarHBondContact N-O 3.38Å; W214-H248 AromaticContact CH2-CD2 3.61Å; W214-H248 AromaticContact CH2-NE2 3.96Å; H248-M250 WeakPolarHBondContact NE2-CG 3.35Å | ||
| 249 | V | 90 | Very high | 70.4 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.006 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 143.3 | 171.1 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | Q188 F191 V203 K204 I205 M229 V242 P244 I247 | Q188-V249 PolarHBondContact NE2-O 3.11Å; F191-V249 HydrophobicContact CD2-CB 4.44Å; F191-V249 HydrophobicContact CE1-CG1 4.1Å; F191-V249 HydrophobicContact CE2-CB 4.35Å; F191-V249 HydrophobicContact CE2-CG1 4.21Å; F191-V249 WeakPolarHBondContact CE2-O 3.43Å; F191-V249 HydrophobicContact CZ-CG1 3.9Å; V203-V249 HydrophobicContact CB-CG1 3.97Å; V203-V249 HydrophobicContact CG1-CG1 4.07Å; K204-V249 WeakPolarHBondContact O-CA 3.37Å; I205-V249 HydrophobicContact CG1-CG2 4.46Å; M229-V249 HydrophobicContact CE-CG1 4.23Å; V242-V249 HydrophobicContact CG1-CG2 3.95Å; P244-V249 HydrophobicContact CB-CG2 4.13Å; I247-V249 PolarHBondContact O-N 2.82Å; I247-V249 VanDerWaalsContact O-N 3.16Å |
| 250 | M | 88.5 | Confident | 67.5 | Low | 25 Ų | 25 | 76.7 Ų | 76.7 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 147.4 | 168.5 | -55.5 | -177.6 | 82.2 | 0 | 0 | 109.8 | D184 V203 K204 W214 H248 | D184-M250 VanDerWaalsContact OD1-CE 3.28Å; D184-M250 WeakPolarHBondContact OD1-CE 3.44Å; V203-M250 CarbonylContact C-O 3.57Å; V203-M250 VanDerWaalsContact CA-O 3.25Å; V203-M250 WeakPolarHBondContact CA-O 3.42Å; V203-M250 WeakPolarHBondContact CB-O 3.41Å; K204-M250 HydrophobicContact CD-CB 4.44Å; K204-M250 WeakPolarHBondContact CE-SD 3.24Å; K204-M250 HydrophobicContact CG-CB 3.95Å; K204-M250 PolarHBondContact N-O 3.26Å; K204-M250 PolarHBondContact NZ-SD 2.89Å; K204-M250 PolarHBondContact O-N 3.26Å; W214-M250 HydrophobicContact CH2-CG 3.84Å; W214-M250 HydrophobicContact CH2-SD 3.68Å; W214-M250 HydrophobicContact CZ2-SD 4.17Å; W214-M250 HydrophobicContact CZ3-CG 4.18Å; W214-M250 HydrophobicContact CZ3-SD 4.46Å; H248-M250 WeakPolarHBondContact NE2-CG 3.35Å |
| 251 | L | 85.9 | Confident | 64.6 | Low | 48 Ų | 48 | 76.4 Ų | 76.4 | 25% | 0.251 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 158.6 | 165 | -83.8 | 152.9 | 0 | 0 | 0 | 110.6 | L187 F191 H201 V203 | L187-L251 HydrophobicContact CD2-CB 3.88Å; L187-L251 HydrophobicContact CD2-CD1 3.93Å; L187-L251 HydrophobicContact CD2-CG 4.37Å; L187-L251 HydrophobicContact CG-CD1 4.04Å; F191-L251 HydrophobicContact CZ-CD1 4.34Å; F191-L251 HydrophobicContact CZ-CG 3.99Å; H201-L251 HydrophobicContact CB-CD2 3.5Å; V203-L251 HydrophobicContact CG1-CD2 4.42Å |
| 252 | M | 81.8 | Confident | 61.5 | Low | 70 Ų | 70 | 76.1 Ų | 76.1 | 35% | 0.345 | 45% | 0.451 | S | S | . | . | trans | -104.8 | 123.5 | 165.7 | -59.7 | -177.6 | 73.4 | 0 | 0 | 109.1 | R202 Y216 | R202-M252 HydrophobicContact CB-CB 4.03Å; R202-M252 HydrophobicContact CB-CG 4.3Å; R202-M252 HydrophobicContact CB-SD 4.12Å; R202-M252 PolarHBondContact O-N 2.82Å; Y216-M252 HydrophobicContact CD1-CE 3.91Å; Y216-M252 HydrophobicContact CD1-SD 3.83Å; Y216-M252 HydrophobicContact CE1-CE 4.14Å | ||
| 253 | D | 62.1 | Low | 58.6 | Low | 136 Ų | 136 | 81.9 Ų | 81.9 | 73% | 0.727 | 49% | 0.487 | S | S | * | . | trans | -57.6 | 146.4 | 175.6 | -72.7 | -46.7 | 0 | 0 | 0 | 111.7 | S255 | D253-S255 WeakPolarHBondContact CB-OG 3.29Å; D253-S255 PolarHBondContact O-N 3.49Å | ||
| 254 | N | 45.6 | Very low | 55.8 | Low | 137 Ų | 137 | 88.6 Ų | 88.6 | 73% | 0.733 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -81 | 10.6 | 174.1 | -81.4 | -28.5 | 0 | 0 | 0 | 113.4 | R202 | R202-N254 PolarHBondContact NH2-OD1 2.89Š|
| 255 | S | 32.4 | Very low | 53.1 | Low | 89 Ų | 89 | 97.6 Ų | 97.6 | 62% | 0.622 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -62.7 | 134.2 | 162.3 | 49 | 0 | 0 | 0 | 0 | 109.4 | D253 | D253-S255 WeakPolarHBondContact CB-OG 3.29Å; D253-S255 PolarHBondContact O-N 3.49Å |
| 256 | A | 25.8 | Very low | 50.4 | Low | 83 Ų | 83 | 98.4 Ų | 98.4 | 69% | 0.686 | 58% | 0.584 | S | S | * | * | trans | -63 | 144.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q258 | A256-Q258 PolarHBondContact O-N 2.89Š| ||
| 257 | P | 26.5 | Very low | 47.7 | Very low | 130 Ų | 130 | 101 Ų | 101 | 84% | 0.844 | 60% | 0.603 | S | S | * | * | trans | -66.3 | 95 | 179.8 | 27.6 | -34.9 | 0 | 0 | 0 | 110.6 | S259 | P257-S259 PolarHBondContact O-N 2.74Š| ||
| 258 | Q | 26.6 | Very low | 45 | Very low | 187 Ų | 187 | 107.7 Ų | 107.7 | 87% | 0.874 | 63% | 0.63 | S | S | * | * | trans | -72.3 | 122.1 | 166.2 | -70.1 | -155 | 5.7 | 0 | 0 | 108.9 | A256 E260 | A256-Q258 PolarHBondContact O-N 2.89Å; Q258-E260 PolarHBondContact O-N 3.01Å | ||
| 259 | S | 26.8 | Very low | 42.2 | Very low | 110 Ų | 110 | 112.7 Ų | 112.7 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | trans | -70.9 | 89.1 | -173.6 | 165.2 | 0 | 0 | 0 | 0 | 112.1 | P257 G261 | P257-S259 PolarHBondContact O-N 2.74Å; S259-G261 PolarHBondContact O-N 3.43Å | ||
| 260 | E | 26 | Very low | 39.7 | Very low | 209 Ų | 209 | 117 Ų | 117 | 98% | 0.977 | 70% | 0.696 | S | S | * | * | trans | -69.5 | 77 | 157.7 | -68.9 | -131.1 | 120.1 | 0 | 0 | 109.6 | Q258 | Q258-E260 PolarHBondContact O-N 3.01Š| ||
| 261 | G | 25.7 | Very low | 37.2 | Very low | 65 Ų | 65 | 125.2 Ų | 125.2 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | trans | -142.6 | 44.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S259 | S259-G261 PolarHBondContact O-N 3.43Š| ||
| 262 | G | 26.5 | Very low | 34.8 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -154.7 | 136 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 263 | T | 27.3 | Very low | 32.6 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | cis | -154.2 | 114.2 | 46.4 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 264 | L | 30.4 | Very low | 31.2 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | trans | -136 | 94.9 | 161.4 | -81.4 | -177.7 | 0 | 0 | 0 | 113.5 | ||||
| 265 | K | 31.9 | Very low | 30.5 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 25.6 | 92.6 | 147.8 | -64 | 177 | 175.5 | 171.5 | 0 | 120.3 | ||||
| 266 | A | 27.5 | Very low | 30.5 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | 79.3 | 169.4 | 115.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 267 | V | 32.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 142 Ų | 142 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 92.4 | 65.3 | 169.3 | -158.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 268 | K | 32.5 | Very low | 30.9 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | 69.2 | 127.2 | 121.4 | -70.5 | 177 | 177.9 | 175.1 | 0 | 123 | |||||
| 269 | S | 33.4 | Very low | 31.1 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 77.6 | 150.2 | 133.6 | -77.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 270 | S | 37.2 | Very low | 31.2 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | -172.3 | 153.1 | -5.9 | -106.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 271 | K | 37.1 | Very low | 31.5 | Very low | 197 Ų | 197 | 134.7 Ų | 134.7 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | cis | -130.1 | -163.5 | 8.4 | -91 | 133.5 | -176.3 | 176.1 | 0 | 107.9 | ||||
| 272 | G | 35.4 | Very low | 31.7 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | cis | 97.6 | 133.9 | 19.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 273 | K | 35.8 | Very low | 31.9 | Very low | 202 Ų | 202 | 143.2 Ų | 143.2 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | cis | -161.1 | 172.3 | 16.9 | -90 | -178 | 177.6 | 174 | 0 | 108.3 | ||||
| 274 | K | 31.6 | Very low | 32.1 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | cis | 175 | 152.2 | -21.4 | -176.7 | -162.1 | 176 | 178.3 | 0 | 107.4 | ||||
| 275 | K | 32.4 | Very low | 32 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 70% | 0.7 | 76% | 0.755 | S | S | * | * | trans | 81.5 | 150.2 | 154.6 | -158.2 | -176.8 | -176.7 | -151.2 | 0 | 116 | E277 | K275-E277 WeakPolarHBondContact CE-OE2 3.32Å; K275-E277 IonicContact NZ-OE2 3.4Å | ||
| 276 | R | 31.4 | Very low | 32 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | 175 | 165.2 | -33.1 | -173.9 | 180 | 160.9 | -123.5 | 2.1 | 106.4 | ||||
| 277 | E | 29.9 | Very low | 32.2 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 56% | 0.556 | 75% | 0.751 | S | S | * | * | trans | 70.4 | 153.1 | 163.4 | -80.6 | 139.9 | 135.8 | 0 | 0 | 116.2 | K275 | K275-E277 WeakPolarHBondContact CE-OE2 3.32Å; K275-E277 IonicContact NZ-OE2 3.4Å | ||
| 278 | S | 30.7 | Very low | 32.2 | Very low | 93 Ų | 93 | 152.6 Ų | 152.6 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | -176.5 | 175.3 | -24.9 | -157.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 279 | I | 31.7 | Very low | 32.1 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | 72.5 | 116.7 | 149.3 | -79.1 | 158 | 0 | 0 | 0 | 119.2 | ||||
| 280 | E | 28.7 | Very low | 31.9 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | 46.6 | 166.5 | 135.3 | -49.6 | 179.6 | 117.4 | 0 | 0 | 121.4 | ||||
| 281 | G | 31 | Very low | 31.7 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | -179.4 | -48.2 | 167 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 282 | K | 31.4 | Very low | 31.5 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 79% | 0.787 | 73% | 0.728 | S | S | * | * | trans | 63.6 | 162.7 | 173.6 | -139.9 | -175.1 | 173.9 | -108.5 | 0 | 118 | ||||
| 283 | D | 30 | Very low | 31.4 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | 31.9 | 111 | 162.3 | -56.7 | -27.7 | 0 | 0 | 0 | 119.1 | ||||
| 284 | G | 31.7 | Very low | 31.2 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | cis | 127.6 | 172.8 | 42.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 285 | R | 28.6 | Very low | 31.1 | Very low | 239 Ų | 239 | 132.7 Ų | 132.7 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | 65.4 | 113.8 | 168.1 | -83.2 | -174.1 | 171.7 | -158.5 | -1.2 | 120.7 | ||||
| 286 | R | 30.6 | Very low | 31.2 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | 98.6 | 98.6 | 113.8 | -163.7 | -176.2 | -157.2 | -118.2 | 9.6 | 120.4 | |||||
| 287 | R | 31.7 | Very low | 31.5 | Very low | 211 Ų | 211 | 127.9 Ų | 127.9 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | trans | 69.9 | 104.3 | 139.5 | -64.4 | -178.3 | 177.9 | -168.9 | -1.4 | 120.8 | ||||
| 288 | K | 32.4 | Very low | 31.6 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | 76.8 | 121.3 | 110.5 | -174.2 | 168.9 | -179.7 | 174.7 | 0 | 121.6 | |||||
| 289 | S | 30.7 | Very low | 31.8 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | trans | 90.2 | 150.5 | 145.5 | -77.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 290 | A | 30.8 | Very low | 32 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | trans | 93.9 | 92.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 291 | S | 33 | Very low | 32.4 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 47% | 0.469 | 72% | 0.722 | S | S | . | * | trans | -16.7 | 146.1 | 134.2 | 46.6 | 0 | 0 | 0 | 0 | 120.8 | L335 | S291-L335 CarbonylContact C-O 3.51Å; S291-L335 WeakPolarHBondContact CA-O 3.26Å; S291-L335 WeakPolarHBondContact CB-O 3.07Å | ||
| 292 | D | 32.3 | Very low | 32.7 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 56% | 0.561 | 72% | 0.723 | S | S | * | * | -165.6 | -180 | 117.9 | -136.7 | -37 | 0 | 0 | 0 | 113.9 | L335 | D292-L335 CarbonylContact C-O 3.43Å; D292-L335 VanDerWaalsContact C-O 3.32Å; D292-L335 WeakPolarHBondContact CA-O 3.3Å; D292-L335 PolarHBondContact N-O 2.99Å; D292-L335 VanDerWaalsContact N-O 3.15Å | |||
| 293 | S | 33.9 | Very low | 33 | Very low | 54 Ų | 54 | 131.3 Ų | 131.3 | 38% | 0.378 | 72% | 0.719 | S | S | . | * | trans | -128.8 | 177.3 | -170.5 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | D336 | S293-D336 VanDerWaalsContact CB-OD2 3.29Å; S293-D336 WeakPolarHBondContact CB-OD2 3.37Å | ||
| 294 | G | 31.1 | Very low | 33.3 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | trans | 163.3 | 107.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 295 | C | 29.9 | Very low | 33.7 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | 22.9 | 149.1 | 146.4 | -117.1 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 296 | D | 33.2 | Very low | 34.1 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | trans | 69.8 | 170.3 | 141.8 | -90.4 | -50.4 | 0 | 0 | 0 | 122.3 | ||||
| 297 | P | 39.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | cis | -138.3 | 162.3 | -26.4 | 33.9 | -15.3 | 0 | 0 | 0 | 117.2 | ||||
| 298 | A | 31.3 | Very low | 34.7 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | trans | 57.1 | 153 | 139.5 | 0 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 299 | S | 34.1 | Very low | 34.9 | Very low | 101 Ų | 101 | 116.8 Ų | 116.8 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | 76.3 | 149.7 | 158.3 | -72.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 300 | K | 36.7 | Very low | 35.2 | Very low | 175 Ų | 175 | 118.4 Ų | 118.4 | 76% | 0.761 | 70% | 0.698 | S | S | * | * | cis | -165.1 | 146.4 | 4.5 | -118.6 | 160.8 | -167.8 | 162.6 | 0 | 112.4 | ||||
| 301 | K | 36.7 | Very low | 35.5 | Very low | 184 Ų | 184 | 118.3 Ų | 118.3 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | trans | 66.3 | 155.4 | 154.6 | -67.4 | -173.1 | 162.9 | -172.5 | 0 | 117.7 | ||||
| 302 | L | 37.6 | Very low | 35.7 | Very low | 145 Ų | 145 | 122.9 Ų | 122.9 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | cis | -170 | 172.4 | -9.1 | -105.5 | 175.6 | 0 | 0 | 0 | 107.6 | ||||
| 303 | K | 37.2 | Very low | 36 | Very low | 160 Ų | 160 | 121.7 Ų | 121.7 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | cis | -159.2 | 115.1 | -5.7 | 174.6 | -116.7 | 165.8 | -170.9 | 0 | 111.6 | ||||
| 304 | G | 37.5 | Very low | 36 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | 70.1 | 176.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 305 | D | 38.7 | Very low | 36.3 | Very low | 106 Ų | 106 | 128 Ų | 128 | 57% | 0.567 | 74% | 0.744 | S | S | * | * | cis | -157.7 | 139.8 | -3.1 | -156.4 | 22 | 0 | 0 | 0 | 113.4 | ||||
| 306 | R | 37.4 | Very low | 36.7 | Very low | 209 Ų | 209 | 126.2 Ų | 126.2 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | trans | 61.3 | 158.5 | 166 | -37.5 | -165.6 | -176.6 | -126.5 | -14.6 | 118.1 | ||||
| 307 | G | 37.3 | Very low | 37 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | cis | 162.4 | 164.8 | -1.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 308 | E | 37.3 | Very low | 36.8 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | cis | -169 | 161.6 | 0 | -126.2 | 178.8 | 105.1 | 0 | 0 | 108.4 | ||||
| 309 | V | 38 | Very low | 37 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | 64.6 | 140.3 | 148.5 | 171.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 310 | D | 35.8 | Very low | 37.1 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | cis | -172.9 | 176.1 | -26.7 | -106.5 | -28.2 | 0 | 0 | 0 | 112 | ||||
| 311 | S | 38.1 | Very low | 36.8 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 84.7 | 100.6 | 145.2 | -72.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 312 | N | 37 | Very low | 36.6 | Very low | 162 Ų | 162 | 123.9 Ų | 123.9 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | 82.7 | 138.6 | 112.3 | -61.2 | -19.5 | 0 | 0 | 0 | 124.3 | |||||
| 313 | G | 37.3 | Very low | 36.7 | Very low | 80 Ų | 80 | 121.7 Ų | 121.7 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | 110.9 | 130.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 314 | S | 35.7 | Very low | 36.2 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | 179.1 | 160.6 | -56.9 | -166.9 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 315 | D | 36.8 | Very low | 36 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | 69 | 144.1 | 167.7 | -57.2 | 16 | 0 | 0 | 0 | 117.4 | ||||
| 316 | G | 37.3 | Very low | 35.4 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | cis | -179 | 169.2 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 317 | G | 39.8 | Very low | 35.2 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 94.5 | 100.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 318 | E | 35.7 | Very low | 34.8 | Very low | 193 Ų | 193 | 128 Ų | 128 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | cis | 68.9 | 134.6 | 32.2 | -80.7 | -144 | 111 | 0 | 0 | 115.6 | ||||
| 319 | A | 35.8 | Very low | 34.6 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 58% | 0.579 | 78% | 0.782 | S | S | * | * | cis | -165.1 | 171.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 320 | S | 35 | Very low | 34.2 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | 76.2 | 151.3 | 142.6 | -74.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 321 | R | 30 | Very low | 34 | Very low | 234 Ų | 234 | 121.7 Ų | 121.7 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | cis | -173.9 | 124.7 | -29.3 | -116.9 | 174 | -159.1 | -125.2 | 6.1 | 112.6 | ||||
| 322 | G | 32.7 | Very low | 33.6 | Very low | 78 Ų | 78 | 126.1 Ų | 126.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 60.1 | -162 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 323 | P | 39.7 | Very low | 33.6 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | cis | -143.8 | 150.1 | -12 | 38.3 | -19.2 | 0 | 0 | 0 | 118.2 | ||||
| 324 | W | 28.3 | Very low | 33.4 | Very low | 235 Ų | 235 | 121.8 Ų | 121.8 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | 68.4 | 166.3 | 151.1 | -53.1 | -15 | 0 | 0 | 0 | 117.7 | ||||
| 325 | K | 31.5 | Very low | 33.2 | Very low | 191 Ų | 191 | 121 Ų | 121 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | cis | -152.9 | 160.6 | -7 | -124.8 | 166.7 | -175.4 | -178.9 | 0 | 104.7 | ||||
| 326 | G | 27.9 | Very low | 33 | Very low | 78 Ų | 78 | 118.5 Ų | 118.5 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | cis | 135.8 | 112.1 | 13.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 327 | G | 31.6 | Very low | 32.9 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 81% | 0.814 | 74% | 0.742 | S | S | * | * | trans | -162.3 | 131.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 328 | N | 30.1 | Very low | 32.6 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | trans | -140.4 | 168.6 | -160 | -139.1 | 25.6 | 0 | 0 | 0 | 111.7 | ||||
| 329 | A | 32.4 | Very low | 32.3 | Very low | 91 Ų | 91 | 123.9 Ų | 123.9 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | 75.1 | 145.6 | 172 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 330 | S | 30 | Very low | 32 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | cis | -174.3 | 149.4 | -13.6 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 331 | G | 31.7 | Very low | 31.7 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | 142.9 | 66.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 332 | E | 30.4 | Very low | 32 | Very low | 184 Ų | 184 | 126.7 Ų | 126.7 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | 11.8 | 157.8 | 126.6 | -68.3 | -97.5 | 100.3 | 0 | 0 | 121.3 | |||||
| 333 | P | 36.1 | Very low | 31.9 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | cis | -142.5 | -177.4 | -38.8 | 39.4 | -21.1 | 0 | 0 | 0 | 113.9 | ||||
| 334 | G | 32.1 | Very low | 31.2 | Very low | 45 Ų | 45 | 129.1 Ų | 129.1 | 46% | 0.464 | 75% | 0.745 | S | S | . | * | trans | 154.6 | 135.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 335 | L | 32.7 | Very low | 31.1 | Very low | 88 Ų | 88 | 123.2 Ų | 123.2 | 46% | 0.461 | 74% | 0.735 | S | S | . | * | trans | -144.9 | 157 | -169.1 | -63 | 96.2 | 0 | 0 | 0 | 115 | S291 D292 | S291-L335 CarbonylContact C-O 3.51Å; S291-L335 WeakPolarHBondContact CA-O 3.26Å; S291-L335 WeakPolarHBondContact CB-O 3.07Å; D292-L335 CarbonylContact C-O 3.43Å; D292-L335 VanDerWaalsContact C-O 3.32Å; D292-L335 WeakPolarHBondContact CA-O 3.3Å; D292-L335 PolarHBondContact N-O 2.99Å; D292-L335 VanDerWaalsContact N-O 3.15Å | ||
| 336 | D | 32.6 | Very low | 30.9 | Very low | 104 Ų | 104 | 123 Ų | 123 | 56% | 0.556 | 73% | 0.734 | S | S | * | * | trans | 65.8 | 159.2 | 155.6 | -80.4 | -36.1 | 0 | 0 | 0 | 120 | S293 | S293-D336 VanDerWaalsContact CB-OD2 3.29Å; S293-D336 WeakPolarHBondContact CB-OD2 3.37Å | ||
| 337 | Q | 34.9 | Very low | 31.1 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | -149.4 | 134.1 | 16.2 | -143.1 | 168.2 | 113.2 | 0 | 0 | 114.7 | ||||
| 338 | R | 32.6 | Very low | 31 | Very low | 233 Ų | 233 | 126.8 Ų | 126.8 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | 26.2 | 137.5 | 135.5 | -141.4 | 164.8 | -170.6 | -163.6 | 3 | 120.4 | ||||
| 339 | A | 30.9 | Very low | 30.9 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | cis | -170.3 | 170.1 | -2.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 340 | K | 28.8 | Very low | 30.8 | Very low | 195 Ų | 195 | 130.2 Ų | 130.2 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | trans | 28.6 | 137.6 | 140.4 | -67.6 | -168.1 | -178.5 | -167.6 | 0 | 119.7 | ||||
| 341 | Q | 29.4 | Very low | 30.7 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | cis | -167 | -167 | 8.5 | -147.4 | -173.1 | -29.9 | 0 | 0 | 110.2 | ||||
| 342 | P | 36.3 | Very low | 30.8 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | -92.5 | 153.4 | -92.8 | 33.1 | -17.2 | 0 | 0 | 0 | 114.9 | |||||
| 343 | P | 29.3 | Very low | 30.6 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 70% | 0.702 | S | S | * | * | -142.4 | -169.6 | 129.1 | 38.4 | -23.7 | 0 | 0 | 0 | 113.9 | |||||
| 344 | S | 26 | Very low | 30.2 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 70% | 0.697 | S | S | * | * | trans | -53.4 | 173.5 | 175.8 | 57 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 345 | T | 26.7 | Very low | 30.1 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 68% | 0.681 | 71% | 0.71 | S | S | * | * | trans | 140.5 | 116.7 | 130.6 | -58.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 346 | F | 27.2 | Very low | 29.8 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 82% | 0.82 | 72% | 0.722 | S | S | * | * | trans | 67.4 | 116.8 | 152.1 | -76.5 | -138.4 | 0 | 0 | 0 | 122.2 | ||||
| 347 | V | 31.2 | Very low | 29.5 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 74% | 0.739 | 71% | 0.708 | S | S | * | * | 9.9 | 129.6 | 123.6 | -173.5 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 348 | P | 28.7 | Very low | 29.3 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | -118.6 | 137.1 | 140.4 | 35 | -25.8 | 0 | 0 | 0 | 112.1 | ||||
| 349 | Q | 28.8 | Very low | 29 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | trans | -70.8 | 131.7 | 167.3 | -65.7 | 168.8 | -84.8 | 0 | 0 | 110.2 | ||||
| 350 | I | 31.3 | Very low | 29 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | trans | -133.3 | 106.3 | 158.3 | -62 | -175.6 | 0 | 0 | 0 | 108.4 | R352 | I350-R352 HydrophobicContact CG2-CG 4.38Š| ||
| 351 | N | 27.8 | Very low | 29.1 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | trans | -79.3 | 121.7 | 175.4 | -176.6 | 6.7 | 0 | 0 | 0 | 110 | ||||
| 352 | R | 32.3 | Very low | 29.2 | Very low | 215 Ų | 215 | 129.7 Ų | 129.7 | 81% | 0.811 | 66% | 0.659 | S | S | * | * | trans | -145.6 | 80 | 169.3 | -78.3 | -161.6 | 168.6 | 172.5 | -3.1 | 112.1 | I350 I354 | I350-R352 HydrophobicContact CG2-CG 4.38Å; R352-I354 PolarHBondContact O-N 3.45Å | ||
| 353 | N | 27.4 | Very low | 29 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 44% | 0.439 | 65% | 0.653 | S | S | . | * | trans | -61 | 98.7 | 159.8 | -82 | -32.5 | 0 | 0 | 0 | 110.6 | E514 A515 | N353-E514 PolarHBondContact ND2-O 2.84Å; N353-A515 HydrophobicContact CB-CB 4Å; N353-A515 WeakPolarHBondContact CB-O 3.27Å; N353-A515 PolarHBondContact ND2-N 3.26Å | ||
| 354 | I | 27.6 | Very low | 29 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 57% | 0.569 | 65% | 0.653 | S | S | * | * | trans | -138.7 | 79.7 | 159.2 | -50.4 | 179.6 | 0 | 0 | 0 | 107.7 | R352 F356 | R352-I354 PolarHBondContact O-N 3.45Å; I354-F356 HydrophobicContact CB-CE2 4.4Å; I354-F356 HydrophobicContact CG2-CD2 4Å; I354-F356 HydrophobicContact CG2-CE2 3.56Å; I354-F356 HydrophobicContact CG2-CZ 3.89Å; I354-F356 PolarHBondContact O-N 3.41Å | ||
| 355 | R | 30 | Very low | 29.4 | Very low | 194 Ų | 194 | 127.6 Ų | 127.6 | 73% | 0.732 | 64% | 0.638 | S | S | * | * | trans | -68.9 | 125.1 | 163.7 | -77.6 | -175.7 | 171.4 | -175 | -4 | 107.9 | A357 K517 | R355-A357 PolarHBondContact O-N 3.31Å; R355-K517 HydrophobicContact CB-CB 4.41Å; R355-K517 VanDerWaalsContact O-CB 3.25Å; R355-K517 WeakPolarHBondContact O-CB 3.28Å; R355-K517 VanDerWaalsContact O-CD 3.27Å; R355-K517 WeakPolarHBondContact O-CD 3.33Å | ||
| 356 | F | 26.9 | Very low | 29.6 | Very low | 167 Ų | 167 | 126.5 Ų | 126.5 | 73% | 0.732 | 63% | 0.631 | S | S | * | * | trans | -83.4 | 100.4 | 177 | -84.4 | -89.8 | 0 | 0 | 0 | 110 | I354 T358 | I354-F356 HydrophobicContact CB-CE2 4.4Å; I354-F356 HydrophobicContact CG2-CD2 4Å; I354-F356 HydrophobicContact CG2-CE2 3.56Å; I354-F356 HydrophobicContact CG2-CZ 3.89Å; I354-F356 PolarHBondContact O-N 3.41Å; F356-T358 PolarHBondContact O-N 2.81Å; F356-T358 VanDerWaalsContact O-N 3.1Å; F356-T358 PolarHBondContact O-OG1 3.02Å | ||
| 357 | A | 26.3 | Very low | 29.7 | Very low | 31 Ų | 31 | 123.5 Ų | 123.5 | 26% | 0.256 | 62% | 0.623 | S | S | . | * | trans | -36.7 | 114.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111 | R355 K517 D518 | R355-A357 PolarHBondContact O-N 3.31Å; A357-K517 HydrophobicContact CB-CB 4.46Å; A357-K517 HydrophobicContact CB-CD 3.96Å; A357-D518 HydrophobicContact CB-CB 3.37Å; A357-D518 WeakPolarHBondContact CB-OD2 3.46Å | ||
| 358 | T | 29.9 | Very low | 29.6 | Very low | 89 Ų | 89 | 122 Ų | 122 | 55% | 0.546 | 61% | 0.614 | S | S | . | * | trans | -125.7 | 89.5 | 174.7 | -51.7 | 0 | 0 | 0 | 0 | 107.1 | F356 T360 | F356-T358 PolarHBondContact O-N 2.81Å; F356-T358 VanDerWaalsContact O-N 3.1Å; F356-T358 PolarHBondContact O-OG1 3.02Å; T358-T360 VanDerWaalsContact C-N 3.28Å; T358-T360 PolarHBondContact O-N 3.05Å | ||
| 359 | Y | 26 | Very low | 29.9 | Very low | 177 Ų | 177 | 120.5 Ų | 120.5 | 69% | 0.694 | 60% | 0.602 | S | S | * | * | trans | -59.1 | 91.6 | 174 | -94.8 | -104.4 | 0 | 0 | 0 | 109.3 | T519 | Y359-T519 HydrophobicContact CD1-CG2 3.58Å; Y359-T519 HydrophobicContact CD2-CG2 3.57Å; Y359-T519 HydrophobicContact CE1-CG2 3.51Å; Y359-T519 HydrophobicContact CE2-CG2 3.5Å; Y359-T519 VanDerWaalsContact CE2-CG2 3.5Å; Y359-T519 HydrophobicContact CG-CG2 3.61Å; Y359-T519 VanDerWaalsContact CZ-CG2 3.47Å | ||
| 360 | T | 32.1 | Very low | 29.8 | Very low | 48 Ų | 48 | 119.3 Ų | 119.3 | 29% | 0.294 | 60% | 0.597 | S | S | . | * | trans | -70.5 | 142.8 | 151.3 | 36 | 0 | 0 | 0 | 0 | 107.1 | T358 L521 | T358-T360 VanDerWaalsContact C-N 3.28Å; T358-T360 PolarHBondContact O-N 3.05Å; T360-L521 WeakPolarHBondContact O-CD1 3.29Å; T360-L521 WeakPolarHBondContact OG1-CD1 3.25Å | ||
| 361 | K | 30.6 | Very low | 29.7 | Very low | 156 Ų | 156 | 119 Ų | 119 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | trans | -108.7 | 163.4 | 164.6 | -132 | 175.4 | -176.8 | -179.9 | 0 | 107.9 | N363 | K361-N363 PolarHBondContact O-N 3.1Š| ||
| 362 | E | 30.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 119.7 Ų | 119.7 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 10.2 | -162.2 | -62.7 | -172.1 | 77 | 0 | 0 | 118.7 | L521 K523 | E362-L521 HydrophobicContact CG-CD2 4.46Å; E362-K523 IonicContact OE1-NZ 2.69Å; E362-K523 PolarHBondContact OE1-NZ 3.41Å |
| 363 | N | 31.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 115 Ų | 115 | 54% | 0.54 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.1 | 11.9 | -163.2 | -35.7 | 93.2 | 0 | 0 | 0 | 113.3 | K361 R365 | K361-N363 PolarHBondContact O-N 3.1Å; N363-R365 PolarHBondContact O-N 3.23Å |
| 364 | G | 31.1 | Very low | 29.8 | Very low | 79 Ų | 79 | 118.1 Ų | 118.1 | 81% | 0.814 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 64.9 | 6.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 365 | R | 33.8 | Very low | 30 | Very low | 107 Ų | 107 | 116.5 Ų | 116.5 | 40% | 0.404 | 63% | 0.626 | S | S | . | * | trans | -94.7 | 106.5 | 179.6 | -71.4 | -176.7 | 178.6 | 164 | 3.7 | 110.6 | N363 L367 D811 | N363-R365 PolarHBondContact O-N 3.23Å; R365-L367 HydrophobicContact CB-CG 4.39Å; R365-L367 PolarHBondContact O-N 2.88Å; R365-D811 PolarHBondContact NH1-O 3.2Å; R365-D811 PolarHBondContact NH2-O 3.41Å | ||
| 366 | T | 29.8 | Very low | 30 | Very low | 88 Ų | 88 | 110.4 Ų | 110.4 | 54% | 0.54 | 62% | 0.623 | S | S | . | * | trans | -69.1 | 78.9 | 158.1 | -49.4 | 0 | 0 | 0 | 0 | 108.8 | V368 | T366-V368 PolarHBondContact O-N 3.29Š| ||
| 367 | L | 30.5 | Very low | 30.3 | Very low | 124 Ų | 124 | 109.8 Ų | 109.8 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | trans | -71.7 | 97 | 180 | -109.6 | 175.7 | 0 | 0 | 0 | 109.4 | R365 V369 | R365-L367 HydrophobicContact CB-CG 4.39Å; R365-L367 PolarHBondContact O-N 2.88Å; L367-V369 HydrophobicContact CB-CG2 4.17Å; L367-V369 HydrophobicContact CD1-CG2 4.43Å; L367-V369 HydrophobicContact CD2-CG2 3.92Å; L367-V369 HydrophobicContact CG-CG2 4.4Å; L367-V369 PolarHBondContact O-N 3.37Å | ||
| 368 | V | 29.6 | Very low | 30.5 | Very low | 90 Ų | 90 | 114.5 Ų | 114.5 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | trans | -74.5 | 74.3 | 161.5 | -172.6 | 0 | 0 | 0 | 0 | 107.5 | T366 Q370 K926 | T366-V368 PolarHBondContact O-N 3.29Å; V368-Q370 PolarHBondContact O-N 2.74Å; V368-K926 HydrophobicContact CG2-CD 4.33Å | ||
| 369 | V | 33.3 | Very low | 30.6 | Very low | 81 Ų | 81 | 116 Ų | 116 | 49% | 0.491 | 66% | 0.664 | S | S | . | * | trans | -69.3 | 113.1 | 162.5 | -173.2 | 0 | 0 | 0 | 0 | 106 | L367 D371 | L367-V369 HydrophobicContact CB-CG2 4.17Å; L367-V369 HydrophobicContact CD1-CG2 4.43Å; L367-V369 HydrophobicContact CD2-CG2 3.92Å; L367-V369 HydrophobicContact CG-CG2 4.4Å; L367-V369 PolarHBondContact O-N 3.37Å; V369-D371 HydrophobicContact CG1-CB 4.21Å; V369-D371 VanDerWaalsContact CG1-CG 3.49Å; V369-D371 WeakPolarHBondContact CG1-OD2 3.4Å; V369-D371 PolarHBondContact O-N 3.21Å | ||
| 370 | Q | 28.5 | Very low | 30.8 | Very low | 163 Ų | 163 | 112.1 Ų | 112.1 | 76% | 0.762 | 67% | 0.669 | S | S | * | * | trans | -76.8 | 69.2 | 163.1 | -69.6 | -172.2 | -94.5 | 0 | 0 | 108.6 | V368 E372 | V368-Q370 PolarHBondContact O-N 2.74Å; Q370-E372 PolarHBondContact O-N 2.42Å | ||
| 371 | D | 28.3 | Very low | 30.6 | Very low | 138 Ų | 138 | 114 Ų | 114 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | trans | -73.6 | 102.8 | 157 | -80.3 | -33.6 | 0 | 0 | 0 | 105.6 | V369 | V369-D371 HydrophobicContact CG1-CB 4.21Å; V369-D371 VanDerWaalsContact CG1-CG 3.49Å; V369-D371 WeakPolarHBondContact CG1-OD2 3.4Å; V369-D371 PolarHBondContact O-N 3.21Å | ||
| 372 | E | 31 | Very low | 30.7 | Very low | 146 Ų | 146 | 116 Ų | 116 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | trans | -49.8 | 125.7 | -179.8 | -80.7 | -85.7 | 103.2 | 0 | 0 | 110.3 | Q370 V374 | Q370-E372 PolarHBondContact O-N 2.42Å; E372-V374 VanDerWaalsContact C-N 3.27Å; E372-V374 HydrophobicContact CB-CG2 4.48Å; E372-V374 PolarHBondContact O-N 2.95Å | ||
| 373 | P | 30.8 | Very low | 30.6 | Very low | 117 Ų | 117 | 116 Ų | 116 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | trans | -70.2 | 90 | 168.9 | 29.6 | -32.6 | 0 | 0 | 0 | 108.5 | G375 | P373-G375 VanDerWaalsContact C-N 3.26Å; P373-G375 PolarHBondContact O-N 2.96Å | ||
| 374 | V | 28.2 | Very low | 30.8 | Very low | 148 Ų | 148 | 115.2 Ų | 115.2 | 90% | 0.897 | 70% | 0.703 | S | S | * | * | trans | -66.6 | 85.4 | 175.5 | -178 | 0 | 0 | 0 | 0 | 109.1 | E372 | E372-V374 VanDerWaalsContact C-N 3.27Å; E372-V374 HydrophobicContact CB-CG2 4.48Å; E372-V374 PolarHBondContact O-N 2.95Å | ||
| 375 | G | 30.8 | Very low | 30.8 | Very low | 77 Ų | 77 | 121.4 Ų | 121.4 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | trans | -173.8 | 103.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | P373 | P373-G375 VanDerWaalsContact C-N 3.26Å; P373-G375 PolarHBondContact O-N 2.96Å | ||
| 376 | G | 31.3 | Very low | 30.5 | Very low | 66 Ų | 66 | 120.7 Ų | 120.7 | 68% | 0.68 | 71% | 0.714 | S | S | * | * | trans | 142.5 | 93.7 | 169 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 377 | D | 31.7 | Very low | 30.6 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | 41 | 127.8 | 148.2 | -50.3 | -34.7 | 0 | 0 | 0 | 119 | ||||
| 378 | T | 30.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | -164.9 | -178.5 | 53 | -17 | 0 | 0 | 0 | 0 | 111 | |||||
| 379 | P | 32.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | -114.3 | 149.5 | -107.1 | 39 | -24.5 | 0 | 0 | 0 | 115.5 | |||||
| 380 | A | 30.1 | Very low | 30.3 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -153.8 | 119.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 381 | S | 28.5 | Very low | 30.4 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | trans | -22.4 | 145.8 | 153.9 | 51.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 382 | F | 32.4 | Very low | 30.4 | Very low | 196 Ų | 196 | 123.1 Ų | 123.1 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | cis | -145.9 | 144.4 | 48.6 | -92 | -87.2 | 0 | 0 | 0 | 116.6 | ||||
| 383 | T | 28.8 | Very low | 30.5 | Very low | 126 Ų | 126 | 121 Ų | 121 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -88.7 | -172.7 | 167.9 | 42.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 384 | P | 34.3 | Very low | 30.5 | Very low | 86 Ų | 86 | 122.6 Ų | 122.6 | 56% | 0.558 | 76% | 0.761 | S | S | * | * | cis | -130.7 | -174.2 | -10.6 | 27.9 | -4.8 | 0 | 0 | 0 | 114.2 | ||||
| 385 | Y | 32.1 | Very low | 30.6 | Very low | 209 Ų | 209 | 119.8 Ų | 119.8 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | 152.4 | 120.4 | 126.2 | -84.6 | -65.5 | 0 | 0 | 0 | 109.7 | |||||
| 386 | S | 28 | Very low | 30.8 | Very low | 91 Ų | 91 | 121 Ų | 121 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | 62.7 | 137.3 | 28.4 | -61.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 387 | T | 30 | Very low | 30.7 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | cis | -171.7 | 154.3 | -5.4 | 22 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 388 | A | 30.2 | Very low | 30.5 | Very low | 73 Ų | 73 | 126 Ų | 126 | 60% | 0.603 | 76% | 0.758 | S | S | * | * | cis | -172.4 | -169.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 389 | T | 28.1 | Very low | 30.3 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 92% | 0.92 | 76% | 0.755 | S | S | * | * | trans | 68.8 | 139.1 | 157.7 | 56.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 390 | G | 30 | Very low | 30 | Very low | 72 Ų | 72 | 121.1 Ų | 121.1 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 173.2 | 47 | -179.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 391 | Q | 30.8 | Very low | 29.8 | Very low | 180 Ų | 180 | 120.9 Ų | 120.9 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | 47.7 | 115.1 | 141.3 | -61 | 176.4 | -2.6 | 0 | 0 | 122.1 | ||||
| 392 | T | 28.3 | Very low | 29.6 | Very low | 129 Ų | 129 | 124 Ų | 124 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | 13.9 | 163.1 | 113.5 | 23.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 393 | P | 33.1 | Very low | 29.3 | Very low | 100 Ų | 100 | 120 Ų | 120 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | cis | -143.9 | -167.3 | 12.8 | 27.6 | -0.2 | 0 | 0 | 0 | 117.2 | ||||
| 394 | L | 30.4 | Very low | 29.3 | Very low | 152 Ų | 152 | 122 Ų | 122 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | 80.1 | 123 | 160 | -47.2 | -177.8 | 0 | 0 | 0 | 116 | ||||
| 395 | A | 30.6 | Very low | 28.9 | Very low | 88 Ų | 88 | 125.7 Ų | 125.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | 66.2 | 154.3 | 30.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 396 | P | 35.1 | Very low | 28.7 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | cis | -126.5 | 149.9 | 16 | 44.7 | -29.6 | 0 | 0 | 0 | 114.4 | ||||
| 397 | E | 28.2 | Very low | 28.6 | Very low | 175 Ų | 175 | 119.8 Ų | 119.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | 81.4 | 170.2 | 89.9 | -60.8 | -176.9 | 133.5 | 0 | 0 | 116.8 | |||||
| 398 | V | 28.3 | Very low | 28.6 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | trans | 70.2 | 128.7 | 168.2 | -161.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 399 | G | 27.4 | Very low | 28.4 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | -172.4 | 169.8 | -4.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 400 | G | 25.8 | Very low | 28.4 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | cis | 122.7 | 91.4 | 10.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 401 | A | 26.6 | Very low | 28.3 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 64.6 | 139.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 402 | E | 23.9 | Very low | 28.2 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | 165.5 | 105 | 113.7 | -81.5 | -121.2 | 78.6 | 0 | 0 | 108.4 | |||||
| 403 | N | 26.5 | Very low | 28.1 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 60% | 0.599 | 75% | 0.747 | S | S | * | * | 75.3 | 94.6 | 85.5 | -72.8 | -24.5 | 0 | 0 | 0 | 114.6 | |||||
| 404 | K | 27.5 | Very low | 27.9 | Very low | 167 Ų | 167 | 124.6 Ų | 124.6 | 73% | 0.726 | 75% | 0.747 | S | S | * | * | 178.3 | 127.9 | 113.2 | -91.9 | 141 | -170.4 | 143.5 | 0 | 109.8 | |||||
| 405 | E | 25.5 | Very low | 27.8 | Very low | 165 Ų | 165 | 126.4 Ų | 126.4 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | 74.5 | 147.8 | 58.4 | -69.7 | -171.1 | 101.1 | 0 | 0 | 114.2 | |||||
| 406 | A | 27.7 | Very low | 27.6 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | 57.6 | 111.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 407 | G | 27.8 | Very low | 27.2 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | cis | 111.3 | 167.6 | 46.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 408 | K | 28.5 | Very low | 27.1 | Very low | 188 Ų | 188 | 125.7 Ų | 125.7 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | cis | -144.4 | 148 | 0.8 | -79.1 | 178.7 | 177.5 | 172.5 | 0 | 109.3 | ||||
| 409 | T | 26.8 | Very low | 27.1 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | 25.2 | 99.5 | 119 | -33.9 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 410 | L | 27 | Very low | 27.1 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | -161.2 | 133.1 | 122.7 | -130.9 | 58.6 | 0 | 0 | 0 | 105.3 | |||||
| 411 | E | 27.8 | Very low | 27.1 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | cis | 59 | 137.2 | 49.3 | -56.2 | -172.4 | 92.2 | 0 | 0 | 111.2 | ||||
| 412 | Q | 28.5 | Very low | 27.2 | Very low | 164 Ų | 164 | 126 Ų | 126 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | cis | -143.3 | 156.6 | 41.4 | -78.1 | -175.9 | -48.9 | 0 | 0 | 114.9 | ||||
| 413 | V | 27.9 | Very low | 27.2 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 48.2 | 109.3 | 142.2 | -179.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 414 | G | 27.9 | Very low | 27.2 | Very low | 63 Ų | 63 | 124.8 Ų | 124.8 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | cis | 97.6 | 165.9 | 7.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 415 | Q | 27.6 | Very low | 27 | Very low | 190 Ų | 190 | 122 Ų | 122 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | 61.6 | 103.3 | 179.7 | -55.1 | 172.9 | 1.5 | 0 | 0 | 113.6 | ||||
| 416 | G | 27.6 | Very low | 27 | Very low | 68 Ų | 68 | 120.3 Ų | 120.3 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | 116.4 | -172.9 | 22.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 417 | I | 27.1 | Very low | 26.8 | Very low | 165 Ų | 165 | 119.7 Ų | 119.7 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | 67.7 | 135.3 | 164.4 | -63.3 | 168.9 | 0 | 0 | 0 | 114.1 | ||||
| 418 | V | 26.4 | Very low | 26.6 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | -151.5 | 129.7 | -11 | 113 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 419 | A | 27.2 | Very low | 26.4 | Very low | 81 Ų | 81 | 116.7 Ų | 116.7 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | 56.9 | 150.7 | 94.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 420 | S | 26.7 | Very low | 26.4 | Very low | 114 Ų | 114 | 117.6 Ų | 117.6 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | 68.7 | 114.7 | 176.6 | -55.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 421 | A | 26.8 | Very low | 26.8 | Very low | 100 Ų | 100 | 115.5 Ų | 115.5 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | cis | 81.1 | 157.8 | 48.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 422 | A | 27.8 | Very low | 26.8 | Very low | 99 Ų | 99 | 115.2 Ų | 115.2 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | 76.1 | 152.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 423 | V | 24.9 | Very low | 26.7 | Very low | 130 Ų | 130 | 112 Ų | 112 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | cis | -167.2 | 157.9 | -38.8 | 89.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 424 | V | 25.5 | Very low | 26.9 | Very low | 110 Ų | 110 | 113 Ų | 113 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | trans | 69.8 | 107 | 152 | 159.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 425 | T | 24.7 | Very low | 27.1 | Very low | 109 Ų | 109 | 119.8 Ų | 119.8 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | 70.5 | 142.1 | 131.1 | 67.5 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 426 | T | 24.4 | Very low | 27.3 | Very low | 128 Ų | 128 | 118.3 Ų | 118.3 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 77.5 | 118.6 | 137.6 | 44 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 427 | A | 24.5 | Very low | 27.6 | Very low | 88 Ų | 88 | 119.2 Ų | 119.2 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | 87 | 139 | 130.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 428 | S | 22.8 | Very low | 28 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | 63.2 | 112.8 | 146.2 | 55.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 429 | S | 24.2 | Very low | 28.4 | Very low | 94 Ų | 94 | 118.5 Ų | 118.5 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | 65.1 | 114.3 | 127.9 | 65.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 430 | T | 26.9 | Very low | 28.8 | Very low | 131 Ų | 131 | 117.5 Ų | 117.5 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | 66.9 | 171.6 | 133.5 | 61.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 431 | P | 35.8 | Very low | 29 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 62% | 0.623 | 74% | 0.743 | S | S | * | * | cis | -131.7 | -171.3 | -34.2 | 28.5 | -8 | 0 | 0 | 0 | 113.1 | ||||
| 432 | N | 27.1 | Very low | 29.1 | Very low | 144 Ų | 144 | 119.6 Ų | 119.6 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 73.5 | 159.2 | 148.5 | -76.8 | -30 | 0 | 0 | 0 | 119.8 | ||||
| 433 | T | 28 | Very low | 29.1 | Very low | 97 Ų | 97 | 120.1 Ų | 120.1 | 60% | 0.595 | 74% | 0.741 | S | S | * | * | cis | 178.4 | 145.5 | -30.9 | -96 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 434 | V | 31.7 | Very low | 29.5 | Very low | 141 Ų | 141 | 117.7 Ų | 117.7 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | 158.5 | 144.6 | 147.9 | 149.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 435 | R | 30.7 | Very low | 29.5 | Very low | 205 Ų | 205 | 118.9 Ų | 118.9 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | cis | -172.7 | -178.5 | -40.2 | -127.3 | -177.5 | -174.4 | 176.1 | 2.6 | 109.7 | ||||
| 436 | I | 33.6 | Very low | 29.7 | Very low | 159 Ų | 159 | 120.3 Ų | 120.3 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | 86.2 | 100.7 | 179.6 | -51.2 | 164.9 | 0 | 0 | 0 | 111.2 | ||||
| 437 | S | 32.5 | Very low | 30.2 | Very low | 87 Ų | 87 | 119.3 Ų | 119.3 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | cis | 94.9 | 110.9 | 21.7 | -52 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 438 | D | 36.3 | Very low | 30.3 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | -173.7 | 116.8 | 116.9 | -98.6 | -36.2 | 0 | 0 | 0 | 109.9 | |||||
| 439 | T | 33.6 | Very low | 30.6 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | 73.1 | 136.5 | 83.8 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 440 | G | 36 | Very low | 30.8 | Very low | 61 Ų | 61 | 126.3 Ų | 126.3 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | cis | -149.9 | 164.2 | -3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 441 | L | 30.6 | Very low | 30.8 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | 66.5 | 141 | 82.8 | -61.7 | 172.4 | 0 | 0 | 0 | 115 | |||||
| 442 | A | 28.9 | Very low | 30.5 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | cis | -169.4 | 165.4 | -16.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 443 | A | 28.6 | Very low | 30.5 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | trans | 23.7 | 131.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 444 | G | 32.4 | Very low | 30.4 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -160.4 | 108.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 445 | T | 26.8 | Very low | 30.2 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | trans | -67 | 175.9 | -174.8 | 42.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 446 | V | 28.3 | Very low | 30 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | trans | 96.4 | 146.7 | 148.1 | 145.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 447 | P | 35.7 | Very low | 29.6 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -135 | -151.3 | -131.1 | 45.9 | -28.7 | 0 | 0 | 0 | 116.1 | ||||
| 448 | E | 26.6 | Very low | 29.3 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 77.7 | 157 | 176.8 | -59.5 | -143.9 | 106.1 | 0 | 0 | 116.1 | ||||
| 449 | K | 28.9 | Very low | 28.9 | Very low | 137 Ų | 137 | 122.7 Ų | 122.7 | 60% | 0.596 | 76% | 0.757 | S | S | * | * | cis | -152.3 | 140 | 0.8 | -137.1 | -177.8 | -172.3 | 72.9 | 0 | 113.1 | ||||
| 450 | Q | 28.7 | Very low | 28.7 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 39.1 | 118.8 | 137 | -73.8 | -179.3 | -21.8 | 0 | 0 | 124.3 | ||||
| 451 | K | 26.5 | Very low | 28.4 | Very low | 198 Ų | 198 | 127.8 Ų | 127.8 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | 73.5 | 120.5 | 106.2 | -169.3 | -173.2 | 178 | -176.1 | 0 | 120.5 | |||||
| 452 | G | 29.8 | Very low | 28.3 | Very low | 68 Ų | 68 | 124.3 Ų | 124.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 177.3 | 85.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 453 | S | 27 | Very low | 28.5 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -0.1 | 159.2 | 131.3 | 52 | 0 | 0 | 0 | 0 | 121 | ||||
| 454 | R | 25.7 | Very low | 28.7 | Very low | 222 Ų | 222 | 132.2 Ų | 132.2 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | cis | 176.3 | 159.2 | -10.9 | 177.9 | -165 | 162.3 | 161.1 | 1.9 | 107.1 | ||||
| 455 | S | 26.3 | Very low | 28.6 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 50% | 0.497 | 74% | 0.743 | S | S | . | * | trans | 85.4 | 121.9 | 150.4 | -90.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 456 | Q | 26.7 | Very low | 28.8 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | 80.2 | 97.6 | 126.5 | -69 | 169.1 | -97.9 | 0 | 0 | 122.5 | |||||
| 457 | A | 26.3 | Very low | 29.1 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | 75 | 144.9 | 101.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 458 | S | 26.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 89% | 0.888 | 73% | 0.732 | S | S | * | * | trans | 70.5 | 138.9 | 172.1 | -146.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 459 | G | 28.1 | Very low | 29.3 | Very low | 61 Ų | 61 | 131 Ų | 131 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | cis | 173.5 | 162.9 | -6.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 460 | E | 28.7 | Very low | 29.6 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 59 | 126.8 | 154.2 | -68.9 | -163.8 | 92.4 | 0 | 0 | 123.8 | ||||
| 461 | N | 29.2 | Very low | 29.8 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | trans | 77 | 106.1 | 131 | -67 | -28.7 | 0 | 0 | 0 | 124.2 | ||||
| 462 | S | 30 | Very low | 30.1 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | 92.5 | 134.1 | 110.5 | -80.9 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 463 | R | 33 | Very low | 30.2 | Very low | 220 Ų | 220 | 128.3 Ų | 128.3 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | 92.3 | 101 | 137 | -76.1 | 168.6 | -179.5 | -176.6 | -0.3 | 123.3 | ||||
| 464 | N | 31.4 | Very low | 30.5 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 74 | 139.7 | 114 | -65.6 | 15.6 | 0 | 0 | 0 | 124.3 | |||||
| 465 | S | 30.5 | Very low | 31.3 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 82.4 | 148.1 | 136 | -77.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 466 | I | 31.9 | Very low | 31.6 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | cis | -172.6 | 164.8 | -15.3 | -152.4 | 170.4 | 0 | 0 | 0 | 112.4 | ||||
| 467 | L | 33.1 | Very low | 32.2 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | 65.7 | 163.7 | 162.8 | -63.8 | 171.3 | 0 | 0 | 0 | 120.1 | ||||
| 468 | A | 33.4 | Very low | 32.4 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | cis | -177.7 | 162.3 | -39.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 469 | S | 34 | Very low | 32.6 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 65.9 | 157.2 | 155.6 | 64.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 470 | S | 34.5 | Very low | 32.7 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | cis | -177.9 | 147.6 | -24.9 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 471 | G | 33.5 | Very low | 32.8 | Very low | 67 Ų | 67 | 126.7 Ų | 126.7 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | 119.9 | 139.4 | 139.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 472 | F | 31.9 | Very low | 33.2 | Very low | 227 Ų | 227 | 126.1 Ų | 126.1 | 100% | 0.996 | 77% | 0.774 | S | S | * | * | trans | 65 | 137.3 | 150.9 | -70 | -85.5 | 0 | 0 | 0 | 124.2 | ||||
| 473 | G | 33.4 | Very low | 33.3 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | 153 | 140.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 474 | A | 32.3 | Very low | 33.2 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -152.8 | -167.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 475 | P | 43.5 | Very low | 33 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | -124.4 | -178.4 | -105.5 | 36.1 | -16.5 | 0 | 0 | 0 | 115.9 | |||||
| 476 | L | 31.2 | Very low | 33.1 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 153.4 | 166.1 | 145.1 | -97.8 | 97.2 | 0 | 0 | 0 | 113.4 | ||||
| 477 | P | 41.1 | Very low | 33 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | trans | -126.9 | -155.7 | -154.9 | 46.5 | -33.7 | 0 | 0 | 0 | 117.2 | ||||
| 478 | S | 30 | Very low | 33.1 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 91.2 | 154.4 | 176.9 | 85.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 479 | S | 30 | Very low | 33.1 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | cis | -162.6 | 154.1 | 3.7 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 480 | S | 29.8 | Very low | 33.1 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 53.3 | 154.5 | 147.9 | 53.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 481 | Q | 30.5 | Very low | 33 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | cis | -161.2 | 174.7 | -8.4 | -115.5 | -172.5 | -21.7 | 0 | 0 | 108.7 | ||||
| 482 | P | 38.9 | Very low | 33.1 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -98.8 | 171 | -166.6 | 39.6 | -38.3 | 0 | 0 | 0 | 116.4 | ||||
| 483 | L | 31.8 | Very low | 33 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -163.6 | 178.4 | 151 | -111.6 | 169.5 | 0 | 0 | 0 | 112.8 | ||||
| 484 | T | 29.8 | Very low | 33 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | trans | -135.3 | 168.3 | -156.6 | 54 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 485 | F | 27.3 | Very low | 32.9 | Very low | 211 Ų | 211 | 131.9 Ų | 131.9 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | 89.4 | 140 | 154.6 | -94.7 | -78 | 0 | 0 | 0 | 121.9 | ||||
| 486 | G | 32.5 | Very low | 32.2 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 127.5 | 148.7 | 166 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 487 | S | 30.9 | Very low | 32.1 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | 176.3 | 140.9 | -71 | -179 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 488 | G | 34.3 | Very low | 31.5 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 128.1 | 151.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 489 | R | 34.5 | Very low | 31.3 | Very low | 242 Ų | 242 | 132.5 Ų | 132.5 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | cis | -164.2 | 147 | 3.5 | -137.2 | -179.2 | -173.5 | -170.1 | 1.9 | 111.7 | ||||
| 490 | S | 33.6 | Very low | 31.2 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | 57.4 | 117 | 155.6 | -59.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 491 | Q | 31.8 | Very low | 31.4 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | 70.5 | 139.8 | 89 | -68.7 | 176.6 | -4.3 | 0 | 0 | 115.1 | |||||
| 492 | S | 35.1 | Very low | 31.6 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | cis | -156.3 | 155.5 | 25.3 | 57.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 493 | N | 29.9 | Very low | 30.9 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | 24.4 | 143.7 | 145 | -50.1 | -10.7 | 0 | 0 | 0 | 121.2 | ||||
| 494 | G | 33.9 | Very low | 30.6 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | cis | -173.3 | -161.5 | 3.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 495 | V | 31.4 | Very low | 30.4 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | cis | -151 | 168.7 | 10.8 | 160.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 496 | L | 27.1 | Very low | 30.2 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -47.9 | 168.6 | 176.1 | -61.7 | 101.4 | 0 | 0 | 0 | 115.6 | ||||
| 497 | A | 30.3 | Very low | 30 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | cis | -164.4 | 158.7 | 34.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 498 | T | 27.8 | Very low | 29.7 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 52.2 | 119.3 | 141.9 | 51.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 499 | E | 25.8 | Very low | 29.2 | Very low | 167 Ų | 167 | 138 Ų | 138 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | 18.2 | 132.2 | 128.2 | -53.8 | -171.4 | 121.3 | 0 | 0 | 120.3 | |||||
| 500 | N | 28.9 | Very low | 28.8 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | -169.7 | 140.8 | 101.7 | -103.5 | -67.4 | 0 | 0 | 0 | 114.2 | |||||
| 501 | K | 33.7 | Very low | 28.5 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 153.8 | 150.6 | -123.6 | 175.4 | -177.7 | 174.4 | 0 | 106.7 | ||||
| 502 | P | 33.7 | Very low | 28.3 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | -158.7 | -166 | 75.3 | 43.1 | -21.8 | 0 | 0 | 0 | 115.4 | |||||
| 503 | L | 25.6 | Very low | 28 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 22.2 | 124.3 | 143 | -61.4 | 157 | 0 | 0 | 0 | 117.7 | ||||
| 504 | G | 24.1 | Very low | 27.9 | Very low | 65 Ų | 65 | 132.3 Ų | 132.3 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | cis | 98.9 | 112.5 | 20 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 505 | F | 26.6 | Very low | 27.6 | Very low | 203 Ų | 203 | 130.5 Ų | 130.5 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -134.2 | 142.4 | 171.5 | -97.5 | -81.4 | 0 | 0 | 0 | 110.1 | ||||
| 506 | S | 23.8 | Very low | 27.4 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -139.9 | 114.5 | -170.1 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 507 | F | 26.6 | Very low | 27.4 | Very low | 199 Ų | 199 | 128.7 Ų | 128.7 | 87% | 0.873 | 74% | 0.735 | S | S | * | * | trans | -152.9 | 141.8 | 162.9 | -69.9 | -75.5 | 0 | 0 | 0 | 107.3 | ||||
| 508 | G | 25.2 | Very low | 27.2 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | cis | 143 | 115.7 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 509 | C | 24.3 | Very low | 27.2 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 87% | 0.865 | 71% | 0.707 | S | S | * | * | trans | 65.3 | 155.7 | -177 | -65.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 510 | S | 25.2 | Very low | 27.3 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | cis | -166.1 | 168.5 | -27.5 | -97.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 511 | S | 26.9 | Very low | 27.2 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -55.9 | 171 | 174.1 | 57.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 512 | A | 27.8 | Very low | 26.9 | Very low | 78 Ų | 78 | 115.7 Ų | 115.7 | 65% | 0.645 | 67% | 0.672 | S | S | * | * | cis | -160.5 | 158.1 | 25.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 513 | Q | 29.3 | Very low | 26.7 | Very low | 188 Ų | 188 | 116.4 Ų | 116.4 | 88% | 0.879 | 67% | 0.665 | S | S | * | * | trans | 35.4 | 131.7 | 131.6 | -63.3 | 176.6 | -43.8 | 0 | 0 | 124.2 | ||||
| 514 | E | 26.9 | Very low | 26.9 | Very low | 177 Ų | 177 | 115.2 Ų | 115.2 | 83% | 0.827 | 66% | 0.659 | S | S | * | * | -171.9 | 146 | 124.1 | -108.2 | -172.8 | 172.1 | 0 | 0 | 108.4 | N353 | N353-E514 PolarHBondContact ND2-O 2.84Š| |||
| 515 | A | 28.5 | Very low | 27.1 | Very low | 34 Ų | 34 | 117.3 Ų | 117.3 | 28% | 0.281 | 66% | 0.655 | S | S | . | * | cis | -154.7 | 133.2 | 1 | 0 | 0 | 0 | 0 | 0 | 107 | N353 | N353-A515 HydrophobicContact CB-CB 4Å; N353-A515 WeakPolarHBondContact CB-O 3.27Å; N353-A515 PolarHBondContact ND2-N 3.26Å | ||
| 516 | Q | 26.7 | Very low | 27.3 | Very low | 159 Ų | 159 | 111 Ų | 111 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | 88.8 | 138 | 88.7 | -161.3 | -170.1 | 3.4 | 0 | 0 | 114.7 | |||||
| 517 | K | 27.3 | Very low | 27.7 | Very low | 97 Ų | 97 | 108.7 Ų | 108.7 | 42% | 0.422 | 60% | 0.603 | S | S | . | * | trans | 74.9 | 142.5 | 175.5 | -57.1 | -161.7 | 141.7 | -166.6 | 0 | 118.4 | R355 A357 | R355-K517 HydrophobicContact CB-CB 4.41Å; R355-K517 VanDerWaalsContact O-CB 3.25Å; R355-K517 WeakPolarHBondContact O-CB 3.28Å; R355-K517 VanDerWaalsContact O-CD 3.27Å; R355-K517 WeakPolarHBondContact O-CD 3.33Å; A357-K517 HydrophobicContact CB-CB 4.46Å; A357-K517 HydrophobicContact CB-CD 3.96Å | ||
| 518 | D | 26.6 | Very low | 27.8 | Very low | 92 Ų | 92 | 102.9 Ų | 102.9 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | cis | -175.2 | 150.8 | -22 | -102.8 | -25.8 | 0 | 0 | 0 | 109 | A357 | A357-D518 HydrophobicContact CB-CB 3.37Å; A357-D518 WeakPolarHBondContact CB-OD2 3.46Å | ||
| 519 | T | 27.4 | Very low | 28 | Very low | 52 Ų | 52 | 101.2 Ų | 101.2 | 32% | 0.319 | 56% | 0.557 | S | S | . | * | trans | 70.7 | 141 | 163.4 | 15.5 | 0 | 0 | 0 | 0 | 121.9 | Y359 | Y359-T519 HydrophobicContact CD1-CG2 3.58Å; Y359-T519 HydrophobicContact CD2-CG2 3.57Å; Y359-T519 HydrophobicContact CE1-CG2 3.51Å; Y359-T519 HydrophobicContact CE2-CG2 3.5Å; Y359-T519 VanDerWaalsContact CE2-CG2 3.5Å; Y359-T519 HydrophobicContact CG-CG2 3.61Å; Y359-T519 VanDerWaalsContact CZ-CG2 3.47Å | ||
| 520 | D | 28.2 | Very low | 28.2 | Very low | 135 Ų | 135 | 96.7 Ų | 96.7 | 72% | 0.722 | 52% | 0.524 | S | S | * | . | trans | -67 | 153.5 | 169.5 | -46.7 | -96 | 0 | 0 | 0 | 114.4 | ||||
| 521 | L | 26.7 | Very low | 28.4 | Very low | 79 Ų | 79 | 95.2 Ų | 95.2 | 41% | 0.414 | 51% | 0.513 | S | S | . | . | 179.4 | 121.1 | 114.1 | -102.2 | 160.4 | 0 | 0 | 0 | 112.4 | T360 E362 K523 | T360-L521 WeakPolarHBondContact O-CD1 3.29Å; T360-L521 WeakPolarHBondContact OG1-CD1 3.25Å; E362-L521 HydrophobicContact CG-CD2 4.46Å; L521-K523 HydrophobicContact CD2-CG 4.44Å | |||
| 522 | S | 28 | Very low | 28.3 | Very low | 83 Ų | 83 | 97 Ų | 97 | 58% | 0.58 | 51% | 0.509 | S | S | * | . | trans | -125 | 120.6 | 164.3 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 523 | K | 29.1 | Very low | 28.4 | Very low | 117 Ų | 117 | 99.5 Ų | 99.5 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | trans | -143.9 | 116.1 | 168.3 | -67.7 | -167.6 | -178.4 | -171.3 | 0 | 108.5 | E362 L521 | E362-K523 IonicContact OE1-NZ 2.69Å; E362-K523 PolarHBondContact OE1-NZ 3.41Å; L521-K523 HydrophobicContact CD2-CG 4.44Å | ||
| 524 | N | 29.7 | Very low | 28.3 | Very low | 137 Ų | 137 | 98.5 Ų | 98.5 | 73% | 0.733 | 52% | 0.516 | S | S | * | . | trans | -139.2 | 153.6 | 169.4 | -88.4 | -44.7 | 0 | 0 | 0 | 108.2 | ||||
| 525 | L | 28.4 | Very low | 28.5 | Very low | 109 Ų | 109 | 95.4 Ų | 95.4 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | trans | -110.8 | 97.1 | -167.7 | -64.7 | 94 | 0 | 0 | 0 | 113.1 | ||||
| 526 | F | 30.8 | Very low | 28.3 | Very low | 72 Ų | 72 | 101.1 Ų | 101.1 | 32% | 0.316 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -155.5 | 83.6 | 144.2 | -117.9 | -63 | 0 | 0 | 0 | 114.3 | D1487 K1539 | F526-D1487 PolarHBondContact N-OD2 3.34Å; F526-K1539 HydrophobicContact CD1-CD 3.94Å; F526-K1539 HydrophobicContact CE1-CD 4.01Å; F526-K1539 HydrophobicContact CG-CD 4.34Å; F526-K1539 HydrophobicContact CZ-CD 4.44Å |
| 527 | F | 32.1 | Very low | 28.5 | Very low | 58 Ų | 58 | 98.8 Ų | 98.8 | 25% | 0.254 | 54% | 0.544 | S | S | . | . | trans | 91.5 | 82.8 | -173.7 | -67.7 | -89.6 | 0 | 0 | 0 | 115.6 | Y1541 H1560 | F527-Y1541 HydrophobicContact CD2-CE1 4.16Å; F527-Y1541 AromaticContact CE2-CE1 3.71Å; F527-Y1541 HydrophobicContact CE2-CE1 3.71Å; F527-Y1541 WeakPolarHBondContact CE2-OH 3.49Å; F527-Y1541 HydrophobicContact CZ-CE1 4.17Å; F527-H1560 AromaticContact CE1-NE2 3.85Å | ||
| 528 | Q | 28 | Very low | 28.5 | Very low | 77 Ų | 77 | 101.5 Ų | 101.5 | 36% | 0.36 | 56% | 0.563 | S | S | . | * | trans | -136.8 | 75.3 | 166 | -167.7 | 167.4 | -14.6 | 0 | 0 | 112.9 | ||||
| 529 | C | 29.2 | Very low | 28.6 | Very low | 30 Ų | 30 | 108.5 Ų | 108.5 | 20% | 0.203 | 58% | 0.584 | C | S | . | * | trans | -135 | 57.6 | 160 | -79.6 | 0 | 0 | 0 | 0 | 110.2 | D1649 Q1650 | C529-D1649 WeakPolarHBondContact CB-O 3.43Å; C529-Q1650 HydrophobicContact CB-CB 3.95Å; C529-Q1650 HydrophobicContact CB-CG 4.18Å | ||
| 530 | M | 29.6 | Very low | 28.5 | Very low | 34 Ų | 34 | 114.8 Ų | 114.8 | 17% | 0.167 | 61% | 0.608 | C | S | . | * | S | Bend | trans | -95.6 | 130.6 | 145.5 | -79.1 | -149.7 | -149.9 | 0 | 0 | 106 | V1446 C1451 K1484 | M530-V1446 HydrophobicContact CB-CG1 4.41Å; M530-V1446 HydrophobicContact CE-CG1 4Å; M530-V1446 HydrophobicContact CG-CG1 4.38Å; M530-V1446 HydrophobicContact SD-CG1 3.5Å; M530-V1446 WeakPolarHBondContact SD-CG1 3.45Å; M530-C1451 HydrophobicContact CB-CB 3.73Å; M530-C1451 HydrophobicContact CG-CB 4.45Å; M530-C1451 HydrophobicContact SD-CB 4.2Å; M530-K1484 HydrophobicContact CE-CD 4.34Å |
| 531 | S | 29.3 | Very low | 28.6 | Very low | 77 Ų | 77 | 114 Ų | 114 | 54% | 0.538 | 61% | 0.608 | S | S | . | * | trans | -72.5 | 134.6 | -149.1 | 50 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 532 | Q | 25.4 | Very low | 28.8 | Very low | 153 Ų | 153 | 116.4 Ų | 116.4 | 72% | 0.715 | 63% | 0.626 | S | S | * | * | trans | -127.6 | 70.5 | 165.2 | -73.8 | -165.9 | 0.9 | 0 | 0 | 111.9 | ||||
| 533 | T | 29.3 | Very low | 28.9 | Very low | 129 Ų | 129 | 118.6 Ų | 118.6 | 79% | 0.791 | 64% | 0.636 | S | S | * | * | trans | -147.3 | 79.2 | 166.1 | 30.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 534 | L | 26.7 | Very low | 28.9 | Very low | 167 Ų | 167 | 117.1 Ų | 117.1 | 87% | 0.874 | 64% | 0.64 | S | S | * | * | trans | -118.3 | 106.6 | 164.8 | -155.6 | 82.6 | 0 | 0 | 0 | 109 | ||||
| 535 | P | 31.1 | Very low | 28.9 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | -62.9 | 140.3 | 170.5 | -18.9 | 31.9 | 0 | 0 | 0 | 110.2 | S537 | P535-S537 PolarHBondContact O-N 3.3Š| ||
| 536 | T | 25.4 | Very low | 28.8 | Very low | 155 Ų | 155 | 117.8 Ų | 117.8 | 95% | 0.951 | 65% | 0.647 | S | S | * | * | trans | -68.8 | 92.4 | -177.4 | 32.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 537 | S | 30.6 | Very low | 28.8 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | trans | -121.9 | 110.3 | 170.1 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | P535 Y539 | P535-S537 PolarHBondContact O-N 3.3Å; S537-Y539 PolarHBondContact O-N 2.84Å | ||
| 538 | N | 26.5 | Very low | 28.8 | Very low | 154 Ų | 154 | 123.7 Ų | 123.7 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | trans | -68.5 | 118.8 | 173.4 | -63.9 | -64.7 | 0 | 0 | 0 | 110.1 | ||||
| 539 | Y | 28.5 | Very low | 28.9 | Very low | 238 Ų | 238 | 127.2 Ų | 127.2 | 93% | 0.933 | 72% | 0.716 | S | S | * | * | trans | -155.2 | 156.5 | 137.2 | -108 | -71.4 | 0 | 0 | 0 | 110.8 | S537 | S537-Y539 PolarHBondContact O-N 2.84Š| ||
| 540 | F | 26.3 | Very low | 29.1 | Very low | 184 Ų | 184 | 133.2 Ų | 133.2 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | trans | -120.5 | 162.7 | -155.7 | -134.5 | -94.3 | 0 | 0 | 0 | 111.8 | ||||
| 541 | T | 29.9 | Very low | 29.2 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 69.1 | 149.2 | 166.3 | 18.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 542 | T | 30.9 | Very low | 29.4 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | cis | -139.8 | 155.5 | 17.5 | -43.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 543 | V | 29.4 | Very low | 29.7 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -119.3 | 157.6 | 179.6 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 544 | S | 29.4 | Very low | 29.9 | Very low | 85 Ų | 85 | 139 Ų | 139 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | trans | 69.6 | 121.3 | 165.8 | -79.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 545 | E | 29.5 | Very low | 30.2 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | 46.8 | 116.9 | 114.7 | -56.8 | 166.4 | 109 | 0 | 0 | 121.6 | |||||
| 546 | S | 27.1 | Very low | 30.3 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | 82.6 | 121.4 | 124.3 | 77.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 547 | L | 30.3 | Very low | 30.6 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 90% | 0.895 | 75% | 0.754 | S | S | * | * | trans | 66.3 | 132.1 | 130.6 | -68.3 | 168.8 | 0 | 0 | 0 | 122.8 | ||||
| 548 | A | 31.8 | Very low | 30.8 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | 95.2 | 88.6 | 145 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 549 | D | 31.3 | Very low | 31.2 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | 75 | 140.4 | 123.8 | -61.4 | -31.5 | 0 | 0 | 0 | 124.5 | |||||
| 550 | D | 32.7 | Very low | 31.5 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | trans | 61.4 | 134 | 151.3 | -82.8 | -32.9 | 0 | 0 | 0 | 121.1 | ||||
| 551 | S | 32.4 | Very low | 31.9 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | cis | -170.4 | 168.6 | 6.5 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 552 | S | 32.5 | Very low | 32.1 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 64.1 | 104.8 | 161.2 | 73.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 553 | S | 32.7 | Very low | 32.2 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | 128.6 | 158.6 | 76.6 | 64.5 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 554 | R | 33.1 | Very low | 32.5 | Very low | 212 Ų | 212 | 131 Ų | 131 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | cis | -160.5 | 152.9 | -1 | -130.9 | 175.7 | 84 | 164.2 | 11.9 | 109.1 | ||||
| 555 | D | 32.9 | Very low | 32.7 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | trans | 63.8 | 145.7 | 158.8 | -73.5 | -54.5 | 0 | 0 | 0 | 118.7 | ||||
| 556 | S | 33.6 | Very low | 33 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 59% | 0.594 | 73% | 0.73 | S | S | * | * | cis | -167.6 | 175.1 | -15.7 | -117.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 557 | F | 31.7 | Very low | 33.3 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 80% | 0.803 | 73% | 0.725 | S | S | * | * | trans | 75.4 | 118.6 | 177.6 | -60 | -90 | 0 | 0 | 0 | 116.4 | ||||
| 558 | K | 33.9 | Very low | 33.4 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | 84.3 | 141.7 | 54.2 | -77.1 | -177.4 | 167.7 | -173.5 | 0 | 112.8 | |||||
| 559 | Q | 35.9 | Very low | 33.3 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | cis | -161.5 | 144.5 | 16.8 | -142 | 164.1 | -53.9 | 0 | 0 | 113.6 | ||||
| 560 | S | 34.5 | Very low | 33.5 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | trans | 64 | 158.4 | 151 | 70.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 561 | L | 33.7 | Very low | 33.4 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | cis | -159.8 | 175.4 | -8.4 | -133 | 40.9 | 0 | 0 | 0 | 107.2 | ||||
| 562 | E | 35.5 | Very low | 33.4 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | cis | -142.2 | -106.8 | 6.2 | -175.7 | 101.8 | -109.2 | 0 | 0 | 111.1 | ||||
| 563 | S | 31.8 | Very low | 33.2 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | trans | -167.5 | 165.7 | -170.7 | 51.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 564 | L | 35.6 | Very low | 33.3 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | -172.6 | 138.9 | 70 | -90.8 | 172 | 0 | 0 | 0 | 113.5 | |||||
| 565 | S | 33.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | trans | 39.8 | 141.7 | 141.2 | 65.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 566 | S | 35.5 | Very low | 33.3 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | cis | -174 | 171.2 | -2 | -91.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 567 | G | 34.1 | Very low | 33.3 | Very low | 58 Ų | 58 | 129.6 Ų | 129.6 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | cis | 127.4 | 134.3 | -0.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 568 | L | 32.1 | Very low | 33.5 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | 73.1 | 147.8 | 170.6 | -74.7 | 65.4 | 0 | 0 | 0 | 115.8 | ||||
| 569 | C | 31 | Very low | 33.7 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | cis | -164.7 | -169.1 | 5.3 | -121.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 570 | K | 34.9 | Very low | 33.6 | Very low | 194 Ų | 194 | 128.7 Ų | 128.7 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | cis | -162.3 | 126.5 | 8 | -138.2 | 150.9 | -169.7 | 172 | 0 | 113.1 | ||||
| 571 | G | 30.6 | Very low | 33.8 | Very low | 82 Ų | 82 | 130 Ų | 130 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | 74.2 | 165.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 572 | R | 32.4 | Very low | 33.8 | Very low | 225 Ų | 225 | 126.4 Ų | 126.4 | 85% | 0.849 | 76% | 0.757 | S | S | * | * | cis | -151.9 | 143.3 | 10.3 | 174.7 | -178.2 | 179.8 | -167.5 | 1.6 | 112.1 | V574 | R572-V574 HydrophobicContact CG-CG2 4.44Š| ||
| 573 | S | 27.9 | Very low | 33.8 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -107 | 156.1 | 166.5 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 574 | V | 35.7 | Very low | 34 | Very low | 100 Ų | 100 | 129 Ų | 129 | 61% | 0.606 | 77% | 0.769 | S | S | * | * | trans | -146.1 | 103.1 | 170.1 | -176 | 0 | 0 | 0 | 0 | 105.7 | R572 | R572-V574 HydrophobicContact CG-CG2 4.44Š| ||
| 575 | L | 32.2 | Very low | 34 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | 46.2 | 113.6 | 100.7 | -87.1 | 67.3 | 0 | 0 | 0 | 112.7 | |||||
| 576 | G | 31.9 | Very low | 34.1 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | 110.5 | 159.6 | 73.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 577 | T | 34.5 | Very low | 34 | Very low | 118 Ų | 118 | 126 Ų | 126 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | cis | -152.2 | 177.8 | 6.7 | 48 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 578 | D | 35.2 | Very low | 33.8 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | 72.4 | 149.1 | 160.5 | -51.1 | -55.6 | 0 | 0 | 0 | 118.2 | ||||
| 579 | T | 38.2 | Very low | 33.9 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | cis | -139.6 | 167.5 | 12.3 | -33.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 580 | K | 33.6 | Very low | 33.8 | Very low | 201 Ų | 201 | 128.8 Ų | 128.8 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -83.1 | 169.3 | -171.6 | -103.9 | -168.7 | 171.4 | -179.3 | 0 | 116.1 | ||||
| 581 | P | 40.7 | Very low | 33.8 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -109.9 | -172.1 | -163.7 | 43.9 | -39 | 0 | 0 | 0 | 115.1 | ||||
| 582 | G | 33.5 | Very low | 33.8 | Very low | 64 Ų | 64 | 136.1 Ų | 136.1 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | 179.9 | 143.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 583 | S | 33.9 | Very low | 33.8 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 65 | 141.3 | 145.1 | -72.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 584 | K | 37 | Very low | 34.2 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | cis | -154.9 | 141 | 12.1 | -108.9 | 150.9 | -171.7 | 177.6 | 0 | 109.3 | ||||
| 585 | A | 36.1 | Very low | 33.9 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | 60.4 | 138.7 | 100.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 586 | G | 35 | Very low | 33.9 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | -149.8 | -156 | -1.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 587 | S | 34 | Very low | 33.9 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | cis | -157.5 | 155.8 | 1.3 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 588 | S | 29.4 | Very low | 33.7 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -86 | 167.9 | 171.6 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 589 | V | 34.9 | Very low | 33.7 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -178.1 | 150.1 | 133 | 143.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 590 | D | 29.3 | Very low | 33.3 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -71.1 | 151 | -172.2 | -50.3 | -110.9 | 0 | 0 | 0 | 117.4 | ||||
| 591 | R | 33.5 | Very low | 33.1 | Very low | 245 Ų | 245 | 131.6 Ų | 131.6 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | 171.8 | 155.4 | 135.2 | -96.6 | 160.6 | 176 | -153.1 | -0.7 | 109.3 | ||||
| 592 | K | 30.2 | Very low | 32.7 | Very low | 186 Ų | 186 | 131.1 Ų | 131.1 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | cis | 173.4 | 134.4 | -21.4 | 170 | 177.8 | 175 | -176.9 | 0 | 104.6 | ||||
| 593 | V | 33.1 | Very low | 32.7 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -77.4 | 146.5 | -173.5 | 177.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 594 | P | 36.2 | Very low | 32.6 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | -115.1 | 141.2 | 119.7 | -6.6 | 27.3 | 0 | 0 | 0 | 110.8 | |||||
| 595 | A | 28.9 | Very low | 32.2 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | 60.4 | 122.4 | 58.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 596 | E | 33.1 | Very low | 32.2 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | -164.6 | 175.4 | 55.4 | -77.8 | 166.9 | -179.4 | 0 | 0 | 109.3 | |||||
| 597 | S | 31.5 | Very low | 31.8 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | cis | -162.6 | 159.1 | -29.7 | 57.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 598 | M | 31.3 | Very low | 31.5 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -70.5 | 158 | 176.7 | -99.4 | -82.6 | -166.2 | 0 | 0 | 112.7 | ||||
| 599 | P | 35.2 | Very low | 31.4 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -146.5 | 141.6 | 89.8 | 36.6 | -18.8 | 0 | 0 | 0 | 118 | |||||
| 600 | T | 28.5 | Very low | 31.2 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 58% | 0.583 | 79% | 0.786 | S | S | * | * | trans | -70.6 | 148.1 | 162.7 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 601 | L | 30.7 | Very low | 31 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -149.8 | 115.7 | 142.9 | -83.2 | -168.3 | 0 | 0 | 0 | 113.2 | ||||
| 602 | T | 31.6 | Very low | 31 | Very low | 117 Ų | 117 | 138 Ų | 138 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | -89 | 177.5 | 151.7 | 15.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 603 | P | 34.5 | Very low | 31 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | cis | -122.9 | -145.8 | 19.9 | 29.9 | -3.2 | 0 | 0 | 0 | 111.5 | ||||
| 604 | A | 31.8 | Very low | 30.8 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | cis | -161.2 | 179.7 | 12.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 605 | F | 27.5 | Very low | 30.9 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -104.1 | 154.5 | 168.1 | -69.9 | -95.7 | 0 | 0 | 0 | 110.7 | ||||
| 606 | P | 35.5 | Very low | 31.2 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -135.4 | 152.3 | 87.9 | 37.5 | -25.3 | 0 | 0 | 0 | 112.7 | |||||
| 607 | R | 26.4 | Very low | 31.2 | Very low | 232 Ų | 232 | 139.8 Ų | 139.8 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | cis | 84.3 | 135.9 | 31.4 | -158 | -179.7 | -163.6 | 179 | 7 | 114.4 | ||||
| 608 | S | 28.1 | Very low | 31.4 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | 86.7 | 100.4 | 176.4 | -153 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 609 | L | 27.2 | Very low | 31.5 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | 69.1 | 116.4 | 84.3 | -68.2 | 164.3 | 0 | 0 | 0 | 115.4 | |||||
| 610 | L | 31.8 | Very low | 31.4 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 90% | 0.895 | 76% | 0.756 | S | S | * | * | 175.1 | 159.2 | 116 | -93.3 | 165.8 | 0 | 0 | 0 | 113.7 | |||||
| 611 | N | 25.7 | Very low | 31.6 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -82.8 | 155.9 | 179.7 | -61.9 | -31.3 | 0 | 0 | 0 | 113.3 | ||||
| 612 | A | 31.7 | Very low | 31.6 | Very low | 86 Ų | 86 | 141.8 Ų | 141.8 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | -178.2 | 127.1 | 123.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 613 | R | 30 | Very low | 31.7 | Very low | 227 Ų | 227 | 143.7 Ų | 143.7 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | 51.4 | 118.6 | 134.6 | -62.3 | 174.3 | 177.6 | 163.8 | -1.6 | 119.9 | ||||
| 614 | T | 29.4 | Very low | 31.4 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | 59.3 | 142.3 | 65.6 | 70.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 615 | P | 39.1 | Very low | 31.9 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | cis | -150.9 | -173.7 | 41.6 | 44.4 | -23.4 | 0 | 0 | 0 | 119.1 | ||||
| 616 | E | 34.1 | Very low | 32.2 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 70.7 | 147.7 | 164.2 | -60.2 | -171.3 | 90.6 | 0 | 0 | 117.2 | ||||
| 617 | N | 34.5 | Very low | 32 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | cis | -160.1 | 173.3 | -17.1 | -95.1 | -15.4 | 0 | 0 | 0 | 107.1 | ||||
| 618 | H | 35.6 | Very low | 32.3 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | cis | -134.3 | 152.2 | 7.7 | -90.2 | -86.5 | 0 | 0 | 0 | 111.5 | ||||
| 619 | E | 33.1 | Very low | 32.5 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | 17.4 | 134.1 | 125.4 | -48.9 | 175.9 | 116.4 | 0 | 0 | 119 | |||||
| 620 | N | 33.2 | Very low | 32.7 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | cis | -150.7 | 143.9 | 26.8 | -89 | -64.2 | 0 | 0 | 0 | 114.3 | ||||
| 621 | L | 32.7 | Very low | 32.7 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 67% | 0.665 | 76% | 0.758 | S | S | * | * | 42 | 143.3 | 126.2 | -47.8 | -179.1 | 0 | 0 | 0 | 121.1 | |||||
| 622 | F | 30.7 | Very low | 32.9 | Very low | 162 Ų | 162 | 149.2 Ų | 149.2 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | cis | -165.3 | 151.2 | 5.5 | -124.3 | -32.1 | 0 | 0 | 0 | 113.7 | ||||
| 623 | L | 34.1 | Very low | 33.1 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | 76.8 | 144.5 | 150.5 | -61.7 | -179.9 | 0 | 0 | 0 | 122.9 | ||||
| 624 | Q | 27.8 | Very low | 33.2 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | trans | -107.9 | 171.9 | -172.8 | -101.4 | -179.9 | -36.7 | 0 | 0 | 112.1 | ||||
| 625 | P | 41.9 | Very low | 33.2 | Very low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | trans | -87.8 | -170.3 | -173 | 38.6 | -39.5 | 0 | 0 | 0 | 113.2 | ||||
| 626 | P | 34.7 | Very low | 32.9 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -132.9 | 159.2 | 135.5 | 38.3 | -28.8 | 0 | 0 | 0 | 115.2 | ||||
| 627 | K | 29.4 | Very low | 32.6 | Very low | 198 Ų | 198 | 146.9 Ų | 146.9 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -79.7 | 151.1 | 174.7 | -49.2 | 164.6 | -177.3 | 178.1 | 0 | 110.7 | ||||
| 628 | L | 33.2 | Very low | 32.5 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -141.5 | 147.8 | 153 | -80.4 | -176.9 | 0 | 0 | 0 | 112.4 | ||||
| 629 | S | 33.1 | Very low | 32.3 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | -17.1 | 132.6 | 168.1 | 45.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 630 | R | 31.8 | Very low | 32.2 | Very low | 223 Ų | 223 | 149.1 Ų | 149.1 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | 61.7 | 91.2 | 65.2 | -176.6 | -161.8 | 137.3 | 149.6 | -1.2 | 112.7 | |||||
| 631 | E | 31.3 | Very low | 32.1 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | -161.2 | 138.8 | 127.8 | -117.2 | 161.9 | -154.6 | 0 | 0 | 112.1 | |||||
| 632 | E | 30.1 | Very low | 32 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -71.5 | 174.4 | 159.6 | -101.5 | -171.5 | 101 | 0 | 0 | 109.9 | ||||
| 633 | P | 36.2 | Very low | 32.1 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -146.5 | -171.6 | 25.6 | 35 | -10.6 | 0 | 0 | 0 | 117.4 | ||||
| 634 | S | 31.7 | Very low | 32.1 | Very low | 94 Ų | 94 | 148 Ų | 148 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | 68.8 | 107.2 | 139.5 | 61.3 | 0 | 0 | 0 | 0 | 121.2 | P636 | S634-P636 WeakPolarHBondContact O-CD 2.93Š| ||
| 635 | N | 29.8 | Very low | 32.3 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | -51.4 | 135 | 150.7 | 175.5 | 3.9 | 0 | 0 | 0 | 113.4 | F637 | N635-F637 PolarHBondContact OD1-N 3.16Š| ||
| 636 | P | 32.2 | Very low | 31.9 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | trans | -140.2 | 103.8 | 156.9 | 35 | -15.7 | 0 | 0 | 0 | 113.7 | S634 | S634-P636 WeakPolarHBondContact O-CD 2.93Š| ||
| 637 | F | 26.8 | Very low | 31.7 | Very low | 200 Ų | 200 | 148.9 Ų | 148.9 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -132.2 | 31.4 | 160.2 | -122.8 | -81 | 0 | 0 | 0 | 115.6 | N635 | N635-F637 PolarHBondContact OD1-N 3.16Š| ||
| 638 | L | 32.2 | Very low | 32.3 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -129.4 | 146.3 | 155.6 | -73.7 | 177.1 | 0 | 0 | 0 | 110.7 | ||
| 639 | A | 32.1 | Very low | 32.3 | Very low | 83 Ų | 83 | 145.4 Ų | 145.4 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | trans | 83.2 | 140.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 640 | F | 31.3 | Very low | 32.2 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | 64.4 | 89 | 160.8 | -57.3 | -64 | 0 | 0 | 0 | 121.9 | ||||
| 641 | V | 31.3 | Very low | 32.3 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | -1.3 | 124.3 | 109 | -179.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 642 | E | 31.1 | Very low | 32.3 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | -171.9 | 143.3 | 65.6 | -146.9 | 178.3 | 175.5 | 0 | 0 | 115.6 | |||||
| 643 | K | 32.7 | Very low | 32.6 | Very low | 168 Ų | 168 | 137 Ų | 137 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | 60.1 | 151.2 | 143.2 | -87.8 | 170.5 | -166.2 | 158 | 0 | 125.6 | ||||
| 644 | V | 34.3 | Very low | 32.6 | Very low | 111 Ų | 111 | 137 Ų | 137 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | trans | 69.2 | 100.8 | 158.1 | 171.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 645 | E | 30.8 | Very low | 32.8 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | 71.8 | 117.6 | 74 | -71.8 | -174.7 | -166.3 | 0 | 0 | 115.6 | |||||
| 646 | H | 33.4 | Very low | 33.1 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | -175.2 | 163.7 | 111.6 | -87.3 | -48.8 | 0 | 0 | 0 | 112.5 | |||||
| 647 | S | 30.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -128.5 | -156.9 | -176.7 | 61.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 648 | P | 42.7 | Very low | 33.6 | Very low | 98 Ų | 98 | 133 Ų | 133 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -137.4 | -170.5 | -5.3 | 43 | -24.4 | 0 | 0 | 0 | 114.6 | ||||
| 649 | F | 32 | Very low | 33.8 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | -174.4 | 174.1 | 118.8 | -110.8 | -80.5 | 0 | 0 | 0 | 112.1 | |||||
| 650 | S | 32.6 | Very low | 33.9 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -161.1 | -176.8 | -160 | 65.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 651 | S | 32.6 | Very low | 34 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | trans | 91.4 | 152.8 | 171.9 | -50.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 652 | F | 32.6 | Very low | 34.1 | Very low | 210 Ų | 210 | 126.4 Ų | 126.4 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | cis | -126.5 | -176.4 | 16.8 | -75.9 | -95 | 0 | 0 | 0 | 113.9 | ||||
| 653 | A | 35.2 | Very low | 34.2 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -150.2 | 166.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 654 | S | 36.1 | Very low | 34.1 | Very low | 106 Ų | 106 | 123 Ų | 123 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -152.6 | 110.9 | 168 | -73.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 655 | Q | 36.2 | Very low | 33.8 | Very low | 193 Ų | 193 | 123.4 Ų | 123.4 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | 73 | 137 | 93.1 | -69.7 | -179.1 | 13.4 | 0 | 0 | 113.7 | |||||
| 656 | A | 36.1 | Very low | 33.9 | Very low | 90 Ų | 90 | 122.8 Ų | 122.8 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | cis | -139.7 | 152.8 | 18.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 657 | S | 36.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -25.4 | 159.6 | 157.1 | 50.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 658 | G | 33.9 | Very low | 33.7 | Very low | 63 Ų | 63 | 121 Ų | 121 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | cis | 168.6 | -177.6 | -2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 659 | S | 35.4 | Very low | 33 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 55.8 | 123.9 | 168.2 | 48.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 660 | S | 34.4 | Very low | 33 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | cis | 77.3 | 149 | 45.1 | 86.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 661 | S | 34 | Very low | 32.8 | Very low | 101 Ų | 101 | 123.1 Ų | 123.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | cis | -178.6 | 162.9 | -0.2 | 28.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 662 | S | 33 | Very low | 32.8 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | cis | -175.3 | 170.9 | -15.9 | -84.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 663 | A | 32.7 | Very low | 32.6 | Very low | 96 Ų | 96 | 119.7 Ų | 119.7 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 70.7 | 165 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 664 | T | 31.3 | Very low | 32.1 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | cis | -148.4 | 163.2 | 21.1 | -43.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 665 | T | 27.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -83.6 | 143.8 | -172.6 | -25.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 666 | V | 32 | Very low | 31.3 | Very low | 146 Ų | 146 | 125 Ų | 125 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -144.9 | 151.3 | 152.8 | -167.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 667 | T | 27.5 | Very low | 30.9 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -120 | 144.2 | -175.8 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 668 | S | 32.5 | Very low | 30.5 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -165 | 158.1 | 149.4 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 669 | K | 27.6 | Very low | 30.2 | Very low | 203 Ų | 203 | 128.6 Ų | 128.6 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -97.3 | 139.6 | -175.5 | -49.4 | 161.6 | -177.4 | 170.6 | 0 | 111.7 | ||||
| 670 | V | 32.7 | Very low | 30 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -147 | 146.8 | 150.5 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 671 | A | 27.4 | Very low | 29.8 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -139 | 172.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 672 | P | 34.5 | Very low | 29.7 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | -140.2 | -139.2 | 12.3 | 44.2 | -23.2 | 0 | 0 | 0 | 112.7 | ||||
| 673 | S | 28 | Very low | 29.7 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 94.2 | 140.3 | 158.3 | 74.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 674 | W | 23.6 | Very low | 29.7 | Very low | 222 Ų | 222 | 129.8 Ų | 129.8 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -92 | 166 | 166.9 | -66.4 | 37.4 | 0 | 0 | 0 | 109 | E676 | W674-E676 HydrophobicContact CE3-CG 4.19Å; W674-E676 HydrophobicContact CZ3-CG 4.43Å | ||
| 675 | P | 29.3 | Very low | 29.8 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | -142.4 | -173.2 | 90.7 | 39.2 | -23.7 | 0 | 0 | 0 | 114.2 | |||||
| 676 | E | 26.3 | Very low | 30.1 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | -98.6 | 163.9 | -169.7 | -59.9 | 168 | 86.4 | 0 | 0 | 115.2 | W674 | W674-E676 HydrophobicContact CE3-CG 4.19Å; W674-E676 HydrophobicContact CZ3-CG 4.43Å | ||
| 677 | S | 27.6 | Very low | 30.3 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | 70.8 | 162.4 | 134.9 | 64.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 678 | H | 29.7 | Very low | 30.6 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 86.8 | 71.5 | 161.9 | -58.2 | -61 | 0 | 0 | 0 | 122.8 | ||||
| 679 | S | 27.5 | Very low | 30.7 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | 57.1 | 126.6 | 112 | 62.4 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 680 | S | 30.8 | Very low | 31 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 69.4 | 151.6 | 140.1 | 71.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 681 | A | 29.7 | Very low | 31.3 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | cis | -153.8 | 165.4 | 11.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 682 | D | 32.9 | Very low | 31.7 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | 32.4 | 133.2 | 145.8 | -51.8 | -22.5 | 0 | 0 | 0 | 123.2 | ||||
| 683 | S | 32.6 | Very low | 31.6 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | 179.2 | 116 | 100.7 | -79.9 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 684 | A | 33.2 | Very low | 31.9 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | 71.5 | 173.7 | 124.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 685 | S | 33.5 | Very low | 32.3 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | 71.5 | 143.7 | -158 | 80.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 686 | L | 33.3 | Very low | 32.6 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | cis | -139.4 | 172.2 | -19.1 | -123.3 | 171.1 | 0 | 0 | 0 | 108.8 | ||||
| 687 | A | 36.7 | Very low | 32.9 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 60% | 0.603 | 75% | 0.752 | S | S | * | * | trans | -149.9 | 166.3 | -146.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 688 | K | 33.5 | Very low | 33.3 | Very low | 203 Ų | 203 | 132.4 Ų | 132.4 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | 99.4 | 143.7 | 164.3 | -55.8 | 160.4 | -175 | 174.4 | 0 | 113.6 | ||||
| 689 | K | 34.9 | Very low | 33.5 | Very low | 208 Ų | 208 | 129.1 Ų | 129.1 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | cis | -129.1 | 156 | 31.2 | -74.2 | 174.8 | 176.7 | 172.7 | 0 | 116.4 | ||||
| 690 | K | 33.7 | Very low | 33.8 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -119.3 | -149.1 | 173.3 | -141 | -179.1 | -172.4 | -179.4 | 0 | 106.3 | ||||
| 691 | P | 39.6 | Very low | 33.9 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -108.5 | -146.4 | 13.1 | 19.2 | 8.4 | 0 | 0 | 0 | 110 | ||||
| 692 | L | 35.6 | Very low | 34.2 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | cis | -131.9 | -139.7 | 8.2 | -83.7 | 166.8 | 0 | 0 | 0 | 110.8 | ||||
| 693 | F | 30.9 | Very low | 34.2 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | trans | -125.4 | -158.2 | -167.1 | -43.5 | 117.1 | 0 | 0 | 0 | 108.9 | T695 | F693-T695 HydrophobicContact CB-CG2 4Š| ||
| 694 | I | 34.4 | Very low | 34.2 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | cis | -138.9 | 126.7 | 23.1 | -76.3 | 175.3 | 0 | 0 | 0 | 105.7 | ||||
| 695 | T | 32.3 | Very low | 34.3 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 64% | 0.638 | 77% | 0.77 | S | S | * | * | cis | 72.3 | 144.1 | 48.4 | 73 | 0 | 0 | 0 | 0 | 112.7 | F693 | F693-T695 HydrophobicContact CB-CG2 4Š| ||
| 696 | T | 35.7 | Very low | 34.2 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | cis | -151.4 | 171 | 14.1 | 42.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 697 | D | 33 | Very low | 34.1 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | 179.8 | 175.7 | -26.3 | 179.8 | 45.2 | 0 | 0 | 0 | 109.3 | ||||
| 698 | S | 35.4 | Very low | 33.9 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | 77.2 | 158.5 | 147.6 | -91.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 699 | S | 33.6 | Very low | 33.9 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | cis | -175.8 | 172.6 | -26.1 | -98.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 700 | K | 34.7 | Very low | 33.6 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | 75.7 | 155.5 | 163 | -61.1 | -173.5 | -176.1 | -178.2 | 0 | 119.3 | ||||
| 701 | L | 33.1 | Very low | 33.3 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | cis | -177.8 | 166.5 | -40 | -119.4 | 172.3 | 0 | 0 | 0 | 110.3 | ||||
| 702 | V | 34.9 | Very low | 32.8 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 137.7 | 145 | 151.8 | 170.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 703 | S | 33.1 | Very low | 32.5 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -70.9 | 179.9 | -173.9 | -32 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 704 | G | 32.9 | Very low | 32.6 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | cis | 161.8 | -153.6 | 2.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 705 | V | 35 | Very low | 32.6 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | 92.7 | 160.7 | -179.3 | -169.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 706 | L | 31.3 | Very low | 32.4 | Very low | 174 Ų | 174 | 120.3 Ų | 120.3 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -152.5 | 153.8 | -147.9 | -74.1 | 158.3 | 0 | 0 | 0 | 115.8 | ||||
| 707 | G | 32.4 | Very low | 31.9 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 96.6 | 170.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 708 | S | 31.3 | Very low | 31.6 | Very low | 124 Ų | 124 | 120.5 Ų | 120.5 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | cis | -175.1 | -179.8 | -27.4 | -164.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 709 | A | 33.6 | Very low | 31.4 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | trans | 76.7 | 137.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 710 | L | 28.6 | Very low | 31.1 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | cis | 85.8 | 131.1 | 33.4 | -62.9 | 168.6 | 0 | 0 | 0 | 113.3 | ||||
| 711 | T | 27.5 | Very low | 31 | Very low | 126 Ų | 126 | 119.8 Ų | 119.8 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | -163.1 | 174.1 | 2.7 | -9.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 712 | S | 28.7 | Very low | 30.8 | Very low | 127 Ų | 127 | 120.7 Ų | 120.7 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | 78.8 | 147.5 | 161.2 | -160.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 713 | G | 30.5 | Very low | 30.5 | Very low | 70 Ų | 70 | 117.6 Ų | 117.6 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | cis | 176.5 | 167 | -4.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 714 | G | 32.9 | Very low | 30.3 | Very low | 78 Ų | 78 | 123.6 Ų | 123.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -89.7 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 715 | P | 33.8 | Very low | 30.1 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | -129.9 | -176.7 | 52.6 | 17.7 | 8.2 | 0 | 0 | 0 | 113.2 | |||||
| 716 | S | 27.5 | Very low | 29.8 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | cis | 96.6 | 131.3 | 19.2 | -151.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 717 | L | 26.4 | Very low | 29.5 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | trans | 79.2 | 122.7 | 161.9 | -70.1 | 162.1 | 0 | 0 | 0 | 123.6 | ||||
| 718 | S | 26.8 | Very low | 29.3 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | 72.1 | 155.7 | 145.3 | 76.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 719 | A | 31.3 | Very low | 29.1 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | cis | -145.1 | 175.7 | 8.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 720 | M | 27.6 | Very low | 28.7 | Very low | 195 Ų | 195 | 126 Ų | 126 | 96% | 0.961 | 82% | 0.819 | S | S | * | * | trans | -52.2 | 149.2 | -172.1 | -56.1 | 157.3 | 72.7 | 0 | 0 | 117.9 | ||||
| 721 | G | 31.1 | Very low | 28.7 | Very low | 74 Ų | 74 | 123.5 Ų | 123.5 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | -167 | 126.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 722 | N | 30.6 | Very low | 28.5 | Very low | 179 Ų | 179 | 124.7 Ų | 124.7 | 96% | 0.957 | 82% | 0.815 | S | S | * | * | trans | -68 | 153.9 | 179.8 | -54.6 | -31.8 | 0 | 0 | 0 | 111.9 | ||||
| 723 | G | 27.1 | Very low | 28.4 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | cis | 163 | 169.7 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 724 | R | 28.6 | Very low | 28.8 | Very low | 249 Ų | 249 | 128.6 Ų | 128.6 | 94% | 0.94 | 81% | 0.808 | S | S | * | * | trans | 61.5 | 85.3 | 179.2 | -64.3 | -175.5 | 173.2 | -165.6 | -1.8 | 117.4 | ||||
| 725 | S | 30.3 | Very low | 28.6 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -156.3 | 144.2 | 134.1 | -83.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 726 | S | 27.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -90.1 | 129.3 | -171.3 | 49.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 727 | S | 26.5 | Very low | 28.7 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -126.2 | 144 | 168.9 | 49 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 728 | P | 27.6 | Very low | 28.9 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -107 | 152.6 | -156.2 | 38.7 | -33.1 | 0 | 0 | 0 | 114.7 | ||||
| 729 | T | 26.8 | Very low | 29.1 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 95% | 0.945 | 80% | 0.798 | S | S | * | * | trans | -134.9 | 69.2 | 161.5 | 34.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 730 | S | 25.6 | Very low | 28.8 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -143.9 | 164.9 | -170.7 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 731 | S | 27.9 | Very low | 29 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -51.8 | 168.1 | 172.3 | 50.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 732 | L | 24.1 | Very low | 28.9 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 92.7 | 123.7 | 160.8 | -101.7 | 68.3 | 0 | 0 | 0 | 120.3 | ||||
| 733 | T | 27.4 | Very low | 28.7 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 24.4 | 128.5 | 137.4 | 54.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 734 | Q | 37 | Very low | 29 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | 55.7 | 148 | 143.8 | -73 | -166.6 | -17.1 | 0 | 0 | 120.3 | ||||
| 735 | P | 30 | Very low | 29.3 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | -121.4 | 155 | 82.2 | 37.2 | -29.6 | 0 | 0 | 0 | 112.2 | |||||
| 736 | I | 32.3 | Very low | 29.4 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 60% | 0.6 | 77% | 0.765 | S | S | * | * | 71.1 | 101.8 | 50.3 | -55.3 | 171.6 | 0 | 0 | 0 | 113.5 | |||||
| 737 | E | 30.5 | Very low | 29.4 | Very low | 199 Ų | 199 | 130 Ų | 130 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | -136.4 | 154.9 | 129.7 | -161.4 | 163.5 | -124.5 | 0 | 0 | 107.9 | |||||
| 738 | M | 31.1 | Very low | 29.4 | Very low | 116 Ų | 116 | 133 Ų | 133 | 57% | 0.571 | 77% | 0.769 | S | S | * | * | trans | -153.2 | 148.4 | -151.7 | -144.5 | 160.7 | 52.2 | 0 | 0 | 110.7 | T740 | M738-T740 HydrophobicContact CE-CG2 3.48Å; M738-T740 VanDerWaalsContact CE-CG2 3.48Å; M738-T740 HydrophobicContact CG-CG2 4.11Å; M738-T740 HydrophobicContact SD-CG2 3.67Å | ||
| 739 | P | 30 | Very low | 29.7 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | -113.4 | 108.1 | 129 | -12.1 | 30.2 | 0 | 0 | 0 | 111.9 | |||||
| 740 | T | 26.4 | Very low | 30 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 48% | 0.479 | 76% | 0.763 | S | S | . | * | trans | -74.5 | 136.1 | 158 | 35.1 | 0 | 0 | 0 | 0 | 110.1 | M738 | M738-T740 HydrophobicContact CE-CG2 3.48Å; M738-T740 VanDerWaalsContact CE-CG2 3.48Å; M738-T740 HydrophobicContact CG-CG2 4.11Å; M738-T740 HydrophobicContact SD-CG2 3.67Å | ||
| 741 | L | 31 | Very low | 30.2 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 95% | 0.948 | 77% | 0.768 | S | S | * | * | trans | -125.3 | 91 | 138.2 | -74.6 | 180 | 0 | 0 | 0 | 108.5 | ||||
| 742 | S | 28.6 | Very low | 30.2 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -87.2 | 129.5 | 168.5 | -56.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 743 | S | 27.3 | Very low | 30.5 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -160.3 | 105.3 | 149.8 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 744 | S | 33.2 | Very low | 30.8 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -70.5 | 151 | 139.1 | -46.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 745 | P | 34.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | -141.1 | -177.6 | 84 | 39.1 | -24.3 | 0 | 0 | 0 | 114.5 | |||||
| 746 | T | 32.1 | Very low | 30.4 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -61.4 | 141.3 | 172 | 46 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 747 | E | 27.3 | Very low | 30.4 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | -169.4 | -174.8 | 119.5 | -106.4 | 175.6 | -166.8 | 0 | 0 | 111.9 | |||||
| 748 | E | 27.4 | Very low | 30.4 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -96.4 | 141.4 | -157 | -52.1 | -174 | 104.9 | 0 | 0 | 116.8 | ||||
| 749 | R | 32.6 | Very low | 30.5 | Very low | 236 Ų | 236 | 139.9 Ų | 139.9 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | 57 | 165.4 | 147.1 | -89.4 | -170.7 | 146.7 | 162.1 | -5.4 | 120 | ||||
| 750 | P | 34.3 | Very low | 30.4 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | cis | -136.7 | 164.9 | -32.3 | 37.7 | -21.2 | 0 | 0 | 0 | 115.6 | ||||
| 751 | T | 28.8 | Very low | 30.6 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 82.6 | 137.1 | 149.9 | 2.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 752 | V | 28.7 | Very low | 30.6 | Very low | 146 Ų | 146 | 138 Ų | 138 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | 69.6 | 124 | 160.3 | -166.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 753 | G | 30.6 | Very low | 30.7 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 135.3 | 114.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 754 | P | 32.6 | Very low | 30.8 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -89.8 | 150.8 | 174.9 | 35.3 | -33.3 | 0 | 0 | 0 | 112.8 | ||||
| 755 | G | 29 | Very low | 30.5 | Very low | 80 Ų | 80 | 142.9 Ų | 142.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -165 | 137.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 756 | Q | 31 | Very low | 30.2 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -85.8 | 150.2 | 177.5 | -67.4 | 163.5 | -103.7 | 0 | 0 | 111.8 | ||||
| 757 | Q | 31.2 | Very low | 29.9 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 94% | 0.944 | 76% | 0.763 | S | S | * | * | trans | -151.8 | 101 | 150.7 | -114 | 176.5 | 11.5 | 0 | 0 | 110.2 | ||||
| 758 | D | 31.1 | Very low | 30 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | -99.2 | 148.4 | 170.3 | -105.8 | -54.6 | 0 | 0 | 0 | 109.7 | ||||
| 759 | N | 31.8 | Very low | 30.1 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | trans | -110.3 | 104.7 | -174.3 | -148.6 | -8.7 | 0 | 0 | 0 | 110.4 | ||||
| 760 | P | 29.3 | Very low | 29.9 | Very low | 79 Ų | 79 | 125.1 Ų | 125.1 | 51% | 0.513 | 73% | 0.725 | S | S | . | * | trans | -102.6 | 96 | -158.2 | 36.6 | -32.7 | 0 | 0 | 0 | 114.3 | ||||
| 761 | L | 29.1 | Very low | 29.6 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 53% | 0.529 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -152.7 | 9.9 | 171.6 | -119.5 | 168.9 | 0 | 0 | 0 | 117.5 | A151 | A151-L761 HydrophobicContact CB-CD1 4.41Å; A151-L761 HydrophobicContact CB-CD2 3.76Å; A151-L761 HydrophobicContact CB-CG 4.04Å |
| 762 | L | 31.4 | Very low | 29.6 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -134.4 | 20.3 | -179.9 | -77.7 | 173.7 | 0 | 0 | 0 | 114.8 | ||
| 763 | K | 31.4 | Very low | 29.4 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 79% | 0.787 | 72% | 0.724 | S | S | * | * | trans | -127 | 72.8 | 178.5 | -70.7 | -178.8 | 179.7 | 172.6 | 0 | 111.5 | ||||
| 764 | T | 28.6 | Very low | 29.3 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 51% | 0.509 | 73% | 0.727 | S | S | . | * | trans | -127.9 | -4 | -177.5 | -36.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 765 | F | 27.8 | Very low | 28.9 | Very low | 176 Ų | 176 | 126.6 Ų | 126.6 | 77% | 0.772 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -134.8 | 78.7 | 175.2 | -64.7 | -73 | 0 | 0 | 0 | 110.5 | ||
| 766 | S | 27.7 | Very low | 28.8 | Very low | 69 Ų | 69 | 132 Ų | 132 | 48% | 0.483 | 72% | 0.721 | S | S | . | * | S | Bend | trans | 163 | 92.8 | 155.9 | -94.4 | 0 | 0 | 0 | 0 | 108.9 | E1503 | S766-E1503 VanDerWaalsContact CB-OE2 3.23Å; S766-E1503 WeakPolarHBondContact CB-OE2 3.29Å; S766-E1503 PolarHBondContact OG-OE1 3.49Å; S766-E1503 PolarHBondContact OG-OE2 2.8Å |
| 767 | N | 27.3 | Very low | 28.6 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | 172.7 | 92.7 | 156.1 | -95.4 | -16.2 | 0 | 0 | 0 | 111.1 | ||||
| 768 | V | 28.8 | Very low | 28.4 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | trans | -137.3 | 142.2 | 154.5 | -171.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 769 | F | 29.7 | Very low | 28.3 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 47% | 0.469 | 72% | 0.719 | S | S | . | * | trans | 77.7 | 90.8 | -175.7 | -64.4 | -72.8 | 0 | 0 | 0 | 117.7 | K186 E189 | K186-F769 HydrophobicContact CD-CZ 4.34Å; K186-F769 HydrophobicContact CG-CZ 4.01Å; E189-F769 WeakPolarHBondContact OE2-CE2 3.25Å | ||
| 770 | G | 27.3 | Very low | 28.8 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | trans | -130 | 130.6 | 146.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 771 | R | 29.5 | Very low | 28.8 | Very low | 161 Ų | 161 | 125 Ų | 125 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | 44.3 | 108.3 | 156.9 | -65.3 | 174.9 | 170.8 | -127.7 | -41.4 | 119 | Q1436 | R771-Q1436 VanDerWaalsContact CZ-O 3.31Å; R771-Q1436 PolarHBondContact NH1-O 2.87Å; R771-Q1436 VanDerWaalsContact NH1-O 3.1Å; R771-Q1436 PolarHBondContact NH2-O 2.81Å | ||
| 772 | H | 28.2 | Very low | 28.8 | Very low | 183 Ų | 183 | 127 Ų | 127 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | trans | -93.2 | 116.6 | 149.9 | -77.3 | -60.4 | 0 | 0 | 0 | 110 | K186 | K186-H772 PolarHBondContact NZ-NE2 3.27Š| ||
| 773 | S | 24.8 | Very low | 28.7 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | -135.3 | 123.6 | 163.1 | -72.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 774 | G | 28.1 | Very low | 28.7 | Very low | 75 Ų | 75 | 124.8 Ų | 124.8 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | 179.6 | 83.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 775 | G | 23.6 | Very low | 28.7 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | -88.8 | 144.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 776 | F | 27.7 | Very low | 28.8 | Very low | 194 Ų | 194 | 126.5 Ų | 126.5 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | -137.5 | 102.7 | 171.2 | -92.2 | -80.9 | 0 | 0 | 0 | 112.3 | ||||
| 777 | L | 25.7 | Very low | 28.9 | Very low | 157 Ų | 157 | 128 Ų | 128 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | 34.9 | 115.1 | 142.9 | -58.1 | 173.4 | 0 | 0 | 0 | 120.6 | ||||
| 778 | S | 28 | Very low | 29.1 | Very low | 132 Ų | 132 | 130 Ų | 130 | 92% | 0.923 | 75% | 0.747 | S | S | * | * | -169.7 | 166 | 124.4 | -81.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 779 | S | 27.9 | Very low | 29.3 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -147.8 | -173 | -160.3 | -160.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 780 | P | 42.6 | Very low | 29.6 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | -125.2 | 179.2 | -79.2 | 40.7 | -27.2 | 0 | 0 | 0 | 114.2 | |||||
| 781 | A | 30.8 | Very low | 29.8 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -171.9 | 153.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 782 | D | 28.8 | Very low | 29.9 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -90.9 | 166.7 | -176.7 | -51.5 | -91.9 | 0 | 0 | 0 | 116.2 | ||||
| 783 | F | 29.5 | Very low | 30.2 | Very low | 208 Ų | 208 | 129.2 Ų | 129.2 | 91% | 0.912 | 76% | 0.762 | S | S | * | * | -178.6 | 170.5 | 109 | -107.1 | -81.3 | 0 | 0 | 0 | 113.4 | |||||
| 784 | S | 29.5 | Very low | 30.5 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -122.9 | 177.3 | -152.5 | -36.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 785 | Q | 30.5 | Very low | 30.7 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | 146.1 | 116.1 | 115.6 | -171.3 | 162 | 3.2 | 0 | 0 | 119 | |||||
| 786 | E | 29.5 | Very low | 30.9 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | trans | 62.8 | 163 | 149.3 | -76.9 | -176.2 | 109.1 | 0 | 0 | 122.2 | K788 | E786-K788 IonicContact OE1-NZ 3.77Š| ||
| 787 | N | 29.2 | Very low | 30.8 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 54% | 0.54 | 76% | 0.755 | S | S | . | * | cis | -160.3 | 143.3 | 6.6 | -127.3 | -32.4 | 0 | 0 | 0 | 115.3 | ||||
| 788 | K | 31.3 | Very low | 30.9 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 45.3 | 154.6 | 142 | -72.3 | 172.6 | -170.3 | 95.4 | 0 | 123.3 | E786 | E786-K788 IonicContact OE1-NZ 3.77Š| ||
| 789 | A | 33.2 | Very low | 30.8 | Very low | 86 Ų | 86 | 137.9 Ų | 137.9 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | cis | -169.7 | -158.8 | -14.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 790 | P | 36.3 | Very low | 30.9 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | -138.2 | -158.9 | -113.5 | 42.4 | -19.1 | 0 | 0 | 0 | 118.8 | |||||
| 791 | F | 30.2 | Very low | 30.4 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 77% | 0.772 | 74% | 0.737 | S | S | * | * | trans | 87.7 | 150.6 | 161.3 | -101.4 | -117.3 | 0 | 0 | 0 | 121 | ||||
| 792 | E | 32.4 | Very low | 30.3 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | cis | -171.5 | 169.9 | -37.5 | -154.9 | -177.3 | -124.5 | 0 | 0 | 111.9 | ||||
| 793 | A | 35.5 | Very low | 30.2 | Very low | 78 Ų | 78 | 142.6 Ų | 142.6 | 65% | 0.645 | 73% | 0.729 | S | S | * | * | trans | 94.5 | 86.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 794 | V | 30.6 | Very low | 30.1 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | 50.9 | 114.3 | 111.1 | 175 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 795 | K | 31.4 | Very low | 30.2 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | 167.6 | 124 | 121.5 | -102.5 | 142.3 | -172.7 | 167.6 | 0 | 118.8 | |||||
| 796 | R | 27.4 | Very low | 30.1 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | trans | 42.1 | 153.9 | 131.8 | -56.7 | -178 | -178.7 | 147.1 | -1 | 125.1 | ||||
| 797 | F | 27.1 | Very low | 30 | Very low | 189 Ų | 189 | 143 Ų | 143 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | 80.5 | 150 | 158.4 | -56.5 | -61.3 | 0 | 0 | 0 | 117.3 | ||||
| 798 | S | 26.8 | Very low | 30 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | cis | -161.3 | -173.3 | -20.9 | -166.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 799 | L | 27.2 | Very low | 29.9 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -70.1 | 159.9 | -169.1 | -85.3 | 161.4 | 0 | 0 | 0 | 117.7 | ||||
| 800 | D | 29.4 | Very low | 29.7 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | 56.4 | 124.8 | 149.6 | -58.4 | -28.3 | 0 | 0 | 0 | 122.9 | ||||
| 801 | E | 31.1 | Very low | 29.2 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | -172.8 | 154.4 | 116.1 | -100.3 | -140.2 | 82.5 | 0 | 0 | 113.7 | |||||
| 802 | R | 29.6 | Very low | 29.1 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | 47.7 | 119.5 | 156.8 | -72.5 | 162.2 | 159.4 | 125.8 | -6.5 | 120 | ||||
| 803 | S | 26.5 | Very low | 28.8 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | cis | 83.1 | 130.8 | 34.3 | 87.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 804 | L | 28.1 | Very low | 28.5 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 87% | 0.874 | 69% | 0.69 | S | S | * | * | trans | 108.5 | 144.6 | 158.1 | -60.2 | 171.8 | 0 | 0 | 0 | 118.7 | ||||
| 805 | A | 30.2 | Very low | 28.5 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 88% | 0.876 | 67% | 0.673 | S | S | * | * | trans | 67.1 | 140.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 806 | C | 29.5 | Very low | 28.4 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 87% | 0.872 | 66% | 0.66 | S | S | * | * | cis | -147.4 | 164.1 | -10 | -164.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 807 | R | 26.1 | Very low | 28.7 | Very low | 211 Ų | 211 | 119.8 Ų | 119.8 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | trans | -79.1 | 139.7 | 174.2 | -64.4 | -179.3 | 171.3 | -143.5 | -5.5 | 111.3 | ||||
| 808 | Q | 30.9 | Very low | 28.8 | Very low | 179 Ų | 179 | 117.2 Ų | 117.2 | 84% | 0.836 | 65% | 0.647 | S | S | * | * | trans | -169.6 | 141.3 | 139.8 | -112 | 173.5 | -33.5 | 0 | 0 | 115.1 | ||||
| 809 | D | 29.1 | Very low | 28.9 | Very low | 132 Ų | 132 | 116 Ų | 116 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | trans | 54.2 | 113.3 | 152 | -61.4 | 5.1 | 0 | 0 | 0 | 122.9 | ||||
| 810 | S | 27.9 | Very low | 29 | Very low | 83 Ų | 83 | 116 Ų | 116 | 58% | 0.58 | 64% | 0.639 | S | S | * | * | trans | -73.1 | 136.4 | 167.9 | -39.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 811 | D | 27 | Very low | 29 | Very low | 57 Ų | 57 | 118 Ų | 118 | 31% | 0.305 | 65% | 0.649 | S | S | . | * | trans | -167.4 | 82.5 | 162.2 | -105.5 | -46 | 0 | 0 | 0 | 109.9 | R365 K1081 | R365-D811 PolarHBondContact NH1-O 3.2Å; R365-D811 PolarHBondContact NH2-O 3.41Å; D811-K1081 WeakPolarHBondContact OD2-CD 3.32Å; D811-K1081 WeakPolarHBondContact OD2-CE 3.46Å; D811-K1081 IonicContact OD2-NZ 2.67Å; D811-K1081 PolarHBondContact OD2-NZ 3.21Å | ||
| 812 | S | 27.2 | Very low | 28.9 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 63% | 0.629 | 66% | 0.657 | S | S | * | * | trans | -141.3 | 86.6 | -177.3 | -74.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 813 | S | 26.1 | Very low | 29 | Very low | 36 Ų | 36 | 115 Ų | 115 | 25% | 0.252 | 66% | 0.662 | S | S | . | * | trans | -146.9 | 127.2 | 150.8 | 60.3 | 0 | 0 | 0 | 0 | 109.4 | R915 L1080 | S813-R915 PolarHBondContact O-NH2 3.03Å; S813-L1080 WeakPolarHBondContact OG-CD1 3.48Å | ||
| 814 | T | 30.4 | Very low | 29.1 | Very low | 57 Ų | 57 | 116 Ų | 116 | 35% | 0.35 | 67% | 0.669 | S | S | . | * | trans | -172.5 | 123.1 | 175.2 | 24.6 | 0 | 0 | 0 | 0 | 111.1 | R915 L919 | T814-R915 VanDerWaalsContact CG2-NH2 3.32Å; T814-L919 HydrophobicContact CG2-CD1 4.09Å | ||
| 815 | N | 29.1 | Very low | 29.3 | Very low | 78 Ų | 78 | 117.3 Ų | 117.3 | 42% | 0.417 | 67% | 0.67 | S | S | . | * | trans | 75.7 | 93.8 | 149.7 | -62.3 | 45.6 | 0 | 0 | 0 | 119.1 | D817 | N815-D817 PolarHBondContact ND2-OD2 3.18Š| ||
| 816 | S | 30.5 | Very low | 29.3 | Very low | 67 Ų | 67 | 121.7 Ų | 121.7 | 47% | 0.469 | 67% | 0.673 | S | S | . | * | trans | -89.9 | 90.9 | 136 | -55.2 | 0 | 0 | 0 | 0 | 108.3 | L818 E1731 | S816-L818 PolarHBondContact O-N 3.34Å; S816-E1731 VanDerWaalsContact CB-OE1 3.31Å; S816-E1731 WeakPolarHBondContact CB-OE1 3.45Å; S816-E1731 PolarHBondContact OG-OE1 2.67Å | ||
| 817 | D | 33.5 | Very low | 29.4 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | trans | -80.3 | 97.1 | 175.4 | -84.1 | -48.8 | 0 | 0 | 0 | 109.7 | N815 R923 | N815-D817 PolarHBondContact ND2-OD2 3.18Å; D817-R923 IonicContact OD2-NH2 3.48Å | ||
| 818 | L | 28.4 | Very low | 29.6 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 71% | 0.712 | 67% | 0.666 | S | S | * | * | trans | -102 | 64.6 | 175.4 | -69.6 | 179.9 | 0 | 0 | 0 | 112.3 | S816 | S816-L818 PolarHBondContact O-N 3.34Š| ||
| 819 | S | 29.2 | Very low | 29.5 | Very low | 88 Ų | 88 | 120 Ų | 120 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -164.8 | 80.5 | 163.5 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 820 | D | 30.1 | Very low | 29.6 | Very low | 140 Ų | 140 | 118.3 Ų | 118.3 | 75% | 0.749 | 67% | 0.669 | S | S | * | * | trans | 156.6 | 103.9 | 147.3 | -80.4 | -25.7 | 0 | 0 | 0 | 110.7 | ||||
| 821 | L | 29.5 | Very low | 29.8 | Very low | 181 Ų | 181 | 124 Ų | 124 | 95% | 0.948 | 68% | 0.683 | S | S | * | * | trans | -147.6 | 90.8 | 160.3 | -82.3 | -173.1 | 0 | 0 | 0 | 110.3 | ||||
| 822 | S | 27.9 | Very low | 29.9 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 71% | 0.711 | S | S | * | * | trans | -154 | 30.3 | 160.8 | -174.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 823 | D | 32.3 | Very low | 29.9 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | trans | -100.8 | 128.2 | 170 | -91.7 | -18.3 | 0 | 0 | 0 | 110 | ||||
| 824 | S | 28.2 | Very low | 30.2 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -150.9 | 90.6 | 173.8 | -71.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 825 | E | 31.5 | Very low | 30.1 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | trans | -154.7 | 144.3 | 162 | -122.9 | 172.1 | 176.5 | 0 | 0 | 111.9 | Q827 | E825-Q827 PolarHBondContact O-N 2.95Š| ||
| 826 | E | 32 | Very low | 30 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -76.8 | 119.2 | -176.3 | -74.2 | 178.6 | 84.3 | 0 | 0 | 111.8 | ||||
| 827 | Q | 30.2 | Very low | 30.1 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -66.5 | 127.9 | 163 | 179.2 | -169.2 | 118.8 | 0 | 0 | 110.1 | E825 | E825-Q827 PolarHBondContact O-N 2.95Š| ||
| 828 | L | 31.2 | Very low | 30.1 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 71% | 0.707 | 80% | 0.803 | S | S | * | * | trans | -169.6 | 113.1 | 139 | -92.2 | -161 | 0 | 0 | 0 | 114.1 | ||||
| 829 | Q | 29.3 | Very low | 30.3 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 71.6 | 153 | 148.3 | -49.7 | -178.8 | 21 | 0 | 0 | 118.1 | ||||
| 830 | A | 30.8 | Very low | 30.4 | Very low | 97 Ų | 97 | 150.2 Ų | 150.2 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | cis | -139.7 | 160.7 | 12.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 831 | K | 30.4 | Very low | 30.6 | Very low | 202 Ų | 202 | 151.8 Ų | 151.8 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | trans | -82 | 133.7 | 179.4 | -62.8 | 170.2 | 177.9 | 172.4 | 0 | 113.2 | ||||
| 832 | T | 30.6 | Very low | 30.7 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -167.9 | 126.7 | 138.3 | 21.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 833 | G | 26.6 | Very low | 30.7 | Very low | 70 Ų | 70 | 150 Ų | 150 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | 82.4 | 108.4 | 78.1 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 834 | L | 32.4 | Very low | 30.5 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 94% | 0.942 | 82% | 0.82 | S | S | * | * | -165.8 | 163.8 | 74.5 | -92.6 | 161.2 | 0 | 0 | 0 | 113.8 | |||||
| 835 | K | 29 | Very low | 30.6 | Very low | 208 Ų | 208 | 155.1 Ų | 155.1 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | trans | -83.1 | 151 | 166.1 | -61.8 | 173.8 | 176.6 | 177.4 | 0 | 110.8 | ||||
| 836 | G | 27.1 | Very low | 30.4 | Very low | 64 Ų | 64 | 149.3 Ų | 149.3 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | trans | 170 | 96.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 837 | I | 31.2 | Very low | 30.6 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | 59.8 | 135 | 117.5 | -70.1 | 166.7 | 0 | 0 | 0 | 119.3 | |||||
| 838 | P | 33.3 | Very low | 30.4 | Very low | 84 Ų | 84 | 145.4 Ų | 145.4 | 55% | 0.545 | 82% | 0.815 | S | S | . | * | cis | -144.4 | 173.9 | -21.7 | 39.6 | -20.4 | 0 | 0 | 0 | 116.2 | H840 | P838-H840 PolarHBondContact O-N 3.23Å; P838-H840 VanDerWaalsContact O-N 3.16Å | ||
| 839 | E | 32.9 | Very low | 30.5 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 95% | 0.949 | 82% | 0.816 | S | S | * | * | trans | -64.1 | 104.4 | 159.8 | -62.1 | 170.5 | 113.9 | 0 | 0 | 111.5 | ||||
| 840 | H | 31 | Very low | 30.5 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | -157.3 | 102.3 | 160.1 | 69.8 | -47.1 | 0 | 0 | 0 | 112.4 | P838 | P838-H840 PolarHBondContact O-N 3.23Å; P838-H840 VanDerWaalsContact O-N 3.16Å | ||
| 841 | L | 35.9 | Very low | 30.4 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -176.3 | 51.2 | 152.9 | -105.4 | 168.2 | 0 | 0 | 0 | 113.3 | ||||
| 842 | M | 30.7 | Very low | 30.3 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 99% | 0.99 | 81% | 0.807 | S | S | * | * | trans | -93.4 | 115.4 | 158 | -74.1 | -163.2 | 72.9 | 0 | 0 | 108.9 | ||||
| 843 | G | 27.5 | Very low | 30.5 | Very low | 62 Ų | 62 | 139.9 Ų | 139.9 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | -139.7 | -8.7 | -155.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 844 | K | 29.5 | Very low | 30.4 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | 65.5 | 177.4 | 176.2 | -60.7 | 178.1 | 175 | 176.8 | 0 | 117.5 | ||||
| 845 | L | 28.8 | Very low | 30.2 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | trans | 74.6 | 126.2 | -178 | -49.9 | 173.1 | 0 | 0 | 0 | 114.4 | ||||
| 846 | G | 28.9 | Very low | 30.5 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | cis | -170.6 | 165.4 | -7.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 847 | P | 35.8 | Very low | 30.5 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -105 | 175.3 | -169.4 | 39.7 | -36.1 | 0 | 0 | 0 | 116.9 | ||||
| 848 | N | 25.4 | Very low | 30.5 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | 100.3 | 149.8 | 168 | -68.5 | -14 | 0 | 0 | 0 | 119.7 | ||||
| 849 | G | 34 | Very low | 30.3 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 99.2 | 88.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 850 | E | 28.6 | Very low | 30.2 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | cis | 65.6 | 120.1 | 43.6 | -94.8 | -144.8 | 113.8 | 0 | 0 | 116.3 | ||||
| 851 | R | 29.6 | Very low | 30.1 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 73.1 | 149.5 | 155.3 | -65.4 | 175.1 | -159 | -170 | 10.1 | 117.6 | ||||
| 852 | S | 28.4 | Very low | 29.9 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | cis | -164.6 | -178.5 | -14.1 | -166.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 853 | A | 33 | Very low | 29.9 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 78.9 | 122.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 854 | E | 26.4 | Very low | 30.4 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | cis | 80.9 | 141.1 | 14.5 | -144.2 | -170.9 | 171.1 | 0 | 0 | 116.7 | ||||
| 855 | L | 27.8 | Very low | 30.7 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | 74 | 138.1 | 174.8 | -49.5 | 174.2 | 0 | 0 | 0 | 114.8 | ||||
| 856 | L | 33.8 | Very low | 31 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | cis | -141.8 | 141.3 | 8.5 | -69.3 | 171.7 | 0 | 0 | 0 | 114.5 | ||||
| 857 | L | 28.4 | Very low | 30.8 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | 13.5 | 131.2 | 141 | -64.6 | 149.9 | 0 | 0 | 0 | 121.8 | ||||
| 858 | G | 30.2 | Very low | 30.5 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -153.6 | 1.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 859 | K | 29 | Very low | 30.6 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | 34.2 | 100.6 | 167.4 | -63 | 176 | 179.9 | 171.9 | 0 | 120.1 | ||||
| 860 | S | 31.4 | Very low | 30.3 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | 179.8 | 173.1 | 136.7 | -88.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 861 | K | 28.7 | Very low | 30.5 | Very low | 198 Ų | 198 | 146.8 Ų | 146.8 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | cis | -170.2 | 91.3 | -49.5 | -170.7 | -177.2 | -174 | -175.3 | 0 | 112.4 | ||||
| 862 | G | 33.2 | Very low | 30.7 | Very low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | 98.3 | 154 | 164 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 863 | K | 30.2 | Very low | 30.8 | Very low | 203 Ų | 203 | 141.3 Ų | 141.3 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | cis | 165.8 | 110.1 | -26.4 | -113.1 | -168.7 | -178.7 | -168.7 | 0 | 106.1 | ||||
| 864 | Q | 36.8 | Very low | 30.6 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | 175.5 | 149.4 | 136.5 | -100.4 | 178.2 | 74.8 | 0 | 0 | 112.4 | ||||
| 865 | A | 37.3 | Very low | 31 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -160.5 | 146.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 866 | P | 34.2 | Very low | 31.3 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | -154.1 | 163.1 | 109.4 | 38.9 | -21.8 | 0 | 0 | 0 | 116.8 | |||||
| 867 | K | 25.6 | Very low | 31.6 | Very low | 212 Ų | 212 | 143.7 Ų | 143.7 | 92% | 0.922 | 80% | 0.799 | S | S | * | * | trans | 53.3 | 105 | 148 | -65.1 | 163.4 | -176.6 | 177 | 0 | 118.7 | ||||
| 868 | G | 28.7 | Very low | 32.5 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -137.9 | 148.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 869 | R | 26.8 | Very low | 33.6 | Very low | 236 Ų | 236 | 141.6 Ų | 141.6 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 138.2 | -174.3 | -170.6 | -175.3 | -167.7 | -174.2 | 3.7 | 110.9 | R871 | R869-R871 PolarHBondContact O-N 2.76Š|
| 870 | P | 28 | Very low | 35.6 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 131.4 | 173.8 | 27.9 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 871 | R | 33.1 | Very low | 37.9 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 49% | 0.491 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -86.6 | 138.5 | 172.1 | -61.9 | -171.1 | -176.9 | 104.5 | -11.2 | 109.6 | D62 R869 A873 | D62-R871 IonicContact OD1-CZ 2.74Å; D62-R871 IonicContact OD1-NH1 3.91Å; D62-R871 PolarHBondContact OD1-NH1 2.73Å; D62-R871 IonicContact OD1-NH2 3.93Å; D62-R871 IonicContact OD2-CZ 3.88Å; D62-R871 IonicContact OD2-NE 3.98Å; D62-R871 IonicContact OD2-NH1 3.43Å; D62-R871 PolarHBondContact OD2-NH1 3.09Å; R869-R871 PolarHBondContact O-N 2.76Å; R871-A873 PolarHBondContact O-N 2.98Å |
| 872 | T | 33.9 | Very low | 40.5 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | trans | -76 | 114.7 | 177.5 | 42.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 873 | A | 31 | Very low | 42.8 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -66.6 | 154.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R871 L875 | R871-A873 PolarHBondContact O-N 2.98Å; A873-L875 PolarHBondContact O-N 3.3Å | ||
| 874 | P | 28.4 | Very low | 45.3 | Very low | 109 Ų | 109 | 115.8 Ų | 115.8 | 71% | 0.708 | 64% | 0.638 | S | S | * | * | trans | -59.2 | 125.1 | 171.5 | 25.4 | -34 | 0 | 0 | 0 | 110 | K876 | P874-K876 PolarHBondContact O-N 3.2Å; P874-K876 VanDerWaalsContact O-N 3.1Å | ||
| 875 | L | 34.1 | Very low | 47.6 | Very low | 165 Ų | 165 | 111.8 Ų | 111.8 | 86% | 0.864 | 63% | 0.628 | S | S | * | * | trans | -66.4 | 110.5 | 176.3 | -72.4 | 171.7 | 0 | 0 | 0 | 109.2 | A873 V877 | A873-L875 PolarHBondContact O-N 3.3Å; L875-V877 PolarHBondContact O-N 2.84Å | ||
| 876 | K | 35.2 | Very low | 50 | Low | 200 Ų | 200 | 111.3 Ų | 111.3 | 87% | 0.87 | 62% | 0.619 | S | S | * | * | trans | -63.2 | 95.6 | 168.1 | -74.3 | -166.2 | 174.5 | -167.3 | 0 | 109.6 | P874 G878 | P874-K876 PolarHBondContact O-N 3.2Å; P874-K876 VanDerWaalsContact O-N 3.1Å; K876-G878 PolarHBondContact O-N 3.34Å | ||
| 877 | V | 40.2 | Very low | 52.4 | Low | 114 Ų | 114 | 110.4 Ų | 110.4 | 69% | 0.691 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 118 | 158.4 | -176.4 | 0 | 0 | 0 | 0 | 106.2 | L875 | L875-V877 PolarHBondContact O-N 2.84Š|
| 878 | G | 47.6 | Very low | 55.3 | Low | 52 Ų | 52 | 101.3 Ų | 101.3 | 54% | 0.536 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 159.8 | -28.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | K876 | K876-G878 PolarHBondContact O-N 3.34Š|
| 879 | Q | 52.8 | Low | 58 | Low | 146 Ų | 146 | 103.8 Ų | 103.8 | 68% | 0.682 | 55% | 0.554 | S | S | * | * | trans | -117.8 | 97.9 | 169.9 | -76.7 | -169.1 | -7.2 | 0 | 0 | 111.5 | ||||
| 880 | S | 71.3 | Confident | 60.9 | Low | 17 Ų | 17 | 99.5 Ų | 99.5 | 12% | 0.119 | 54% | 0.542 | C | S | . | . | trans | -50.3 | 144.5 | 165.2 | 165.9 | 0 | 0 | 0 | 0 | 110.7 | L882 K883 D901 | S880-L882 PolarHBondContact O-N 3.46Å; S880-L882 PolarHBondContact OG-N 3.02Å; S880-L882 VanDerWaalsContact OG-N 3.09Å; S880-K883 PolarHBondContact O-N 3.06Å; S880-D901 WeakPolarHBondContact CA-OD2 3.43Å; S880-D901 VanDerWaalsContact CB-OD1 3.29Å; S880-D901 WeakPolarHBondContact CB-OD1 3.41Å; S880-D901 PolarHBondContact OG-OD1 3.12Å | ||
| 881 | V | 79.6 | Confident | 63.7 | Low | 32 Ų | 32 | 95 Ų | 95 | 19% | 0.194 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -25.9 | 168.7 | 162.8 | 0 | 0 | 0 | 0 | 112.5 | K887 V888 L891 F898 D901 | V881-K887 HydrophobicContact CG1-CB 4.29Å; V881-K887 HydrophobicContact CG2-CD 4.12Å; V881-V888 WeakPolarHBondContact O-CG2 3.5Å; V881-L891 HydrophobicContact CG1-CD1 3.27Å; V881-F898 HydrophobicContact CB-CD2 4.49Å; V881-F898 HydrophobicContact CG1-CD2 3.96Å; V881-F898 HydrophobicContact CG1-CE2 4.29Å; V881-F898 HydrophobicContact CG1-CG 4.45Å; V881-D901 WeakPolarHBondContact CB-OD2 3.39Å; V881-D901 VanDerWaalsContact CG2-OD2 3.22Å; V881-D901 WeakPolarHBondContact CG2-OD2 3.5Å; V881-D901 PolarHBondContact N-OD1 3.48Å; V881-D901 PolarHBondContact N-OD2 2.78Å |
| 882 | L | 83.3 | Confident | 66.2 | Low | 45 Ų | 45 | 94 Ų | 94 | 24% | 0.236 | 51% | 0.51 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -20.6 | 176.5 | -61.4 | -178.8 | 0 | 0 | 0 | 114.9 | S880 D884 V888 F898 V907 F947 L953 | S880-L882 PolarHBondContact O-N 3.46Å; S880-L882 PolarHBondContact OG-N 3.02Å; S880-L882 VanDerWaalsContact OG-N 3.09Å; L882-D884 VanDerWaalsContact C-N 3.32Å; L882-V888 HydrophobicContact CD2-CG2 4.04Å; L882-F898 HydrophobicContact CD2-CE2 3.97Å; L882-F898 HydrophobicContact CD2-CZ 3.85Å; L882-F898 HydrophobicContact CG-CE2 4.25Å; L882-V907 HydrophobicContact CD1-CB 4.35Å; L882-V907 HydrophobicContact CD1-CG1 3.78Å; L882-V907 HydrophobicContact CD1-CG2 4.43Å; L882-F947 HydrophobicContact CD2-CE2 4.15Å; L882-F947 HydrophobicContact CD2-CZ 3.77Å; L882-L953 HydrophobicContact CD1-CD2 3.89Å; L882-L953 HydrophobicContact CD2-CD2 4.24Å |
| 883 | K | 80.8 | Confident | 68.7 | Low | 119 Ų | 119 | 94.7 Ų | 94.7 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -20 | 170.4 | -65.6 | -173.8 | 179.7 | 179.8 | 0 | 111.6 | S880 D932 | S880-K883 PolarHBondContact O-N 3.06Å; K883-D932 IonicContact NZ-OD2 2.62Å; K883-D932 PolarHBondContact NZ-OD2 3.39Å |
| 884 | D | 83.3 | Confident | 71.3 | Confident | 40 Ų | 40 | 94.3 Ų | 94.3 | 21% | 0.214 | 50% | 0.497 | C | S | . | . | trans | -91.9 | 103.2 | 177.1 | -177.8 | -30.9 | 0 | 0 | 0 | 112 | L882 S886 K887 V888 | L882-D884 VanDerWaalsContact C-N 3.32Å; D884-S886 PolarHBondContact O-N 3.01Å; D884-S886 WeakPolarHBondContact OD1-CA 3.44Å; D884-S886 VanDerWaalsContact OD1-CB 3.29Å; D884-S886 WeakPolarHBondContact OD1-CB 3.2Å; D884-S886 PolarHBondContact OD1-N 3.24Å; D884-K887 HydrophobicContact CB-CB 4.01Å; D884-K887 HydrophobicContact CB-CD 3.97Å; D884-K887 HydrophobicContact CB-CG 4.03Å; D884-K887 PolarHBondContact O-N 3Å; D884-K887 PolarHBondContact OD1-N 2.69Å; D884-K887 WeakPolarHBondContact OD2-CD 3.44Å; D884-K887 WeakPolarHBondContact OD2-CE 3.24Å; D884-K887 WeakPolarHBondContact OD2-CG 3.44Å; D884-K887 IonicContact OD2-NZ 2.98Å; D884-K887 PolarHBondContact OD2-NZ 3.45Å; D884-V888 WeakPolarHBondContact O-CG2 3.46Å; D884-V888 PolarHBondContact O-N 3.04Å | ||
| 885 | V | 85.1 | Confident | 74 | Confident | 120 Ų | 120 | 90.4 Ų | 90.4 | 73% | 0.727 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.5 | -32 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 112.9 | K889 | V885-K889 VanDerWaalsContact O-CB 3.31Å; V885-K889 WeakPolarHBondContact O-CB 3.47Å; V885-K889 PolarHBondContact O-N 3.04Å |
| 886 | S | 86.6 | Confident | 76.6 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 57% | 0.573 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -74.9 | -39.8 | 179.2 | -67.6 | 0 | 0 | 0 | 0 | 112 | D884 K890 | D884-S886 PolarHBondContact O-N 3.01Å; D884-S886 WeakPolarHBondContact OD1-CA 3.44Å; D884-S886 VanDerWaalsContact OD1-CB 3.29Å; D884-S886 WeakPolarHBondContact OD1-CB 3.2Å; D884-S886 PolarHBondContact OD1-N 3.24Å; S886-K890 WeakPolarHBondContact O-CG 3.18Å; S886-K890 PolarHBondContact O-N 3.33Å; S886-K890 VanDerWaalsContact O-N 3.09Å |
| 887 | K | 85.8 | Confident | 79.2 | Confident | 89 Ų | 89 | 80.3 Ų | 80.3 | 39% | 0.387 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 170.9 | -68.8 | -179.5 | -168.3 | 102.5 | 0 | 111 | V881 D884 K889 K890 L891 | V881-K887 HydrophobicContact CG1-CB 4.29Å; V881-K887 HydrophobicContact CG2-CD 4.12Å; D884-K887 HydrophobicContact CB-CB 4.01Å; D884-K887 HydrophobicContact CB-CD 3.97Å; D884-K887 HydrophobicContact CB-CG 4.03Å; D884-K887 PolarHBondContact O-N 3Å; D884-K887 PolarHBondContact OD1-N 2.69Å; D884-K887 WeakPolarHBondContact OD2-CD 3.44Å; D884-K887 WeakPolarHBondContact OD2-CE 3.24Å; D884-K887 WeakPolarHBondContact OD2-CG 3.44Å; D884-K887 IonicContact OD2-NZ 2.98Å; D884-K887 PolarHBondContact OD2-NZ 3.45Å; K887-K889 VanDerWaalsContact C-N 3.33Å; K887-K889 PolarHBondContact O-N 3.03Å; K887-K890 PolarHBondContact O-N 2.78Å; K887-L891 WeakPolarHBondContact O-CG 2.91Å; K887-L891 PolarHBondContact O-N 3.42Å |
| 888 | V | 85.3 | Confident | 81.5 | Confident | 20 Ų | 20 | 76 Ų | 76 | 12% | 0.121 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.2 | -44 | 175 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | V881 L882 D884 L891 K892 F947 | V881-V888 WeakPolarHBondContact O-CG2 3.5Å; L882-V888 HydrophobicContact CD2-CG2 4.04Å; D884-V888 WeakPolarHBondContact O-CG2 3.46Å; D884-V888 PolarHBondContact O-N 3.04Å; V888-L891 PolarHBondContact O-N 3.3Å; V888-K892 HydrophobicContact CG1-CD 3.87Å; V888-K892 HydrophobicContact CG1-CG 4.38Å; V888-K892 WeakPolarHBondContact O-CB 3.42Å; V888-K892 WeakPolarHBondContact O-CG 3.42Å; V888-K892 PolarHBondContact O-N 3.04Å; V888-F947 HydrophobicContact CG1-CZ 4.07Å |
| 889 | K | 85.1 | Confident | 83.5 | Confident | 133 Ų | 133 | 75.8 Ų | 75.8 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 177.2 | -171.3 | 172.9 | -178.2 | 177.5 | 0 | 111.6 | V885 K887 K892 Q893 | V885-K889 VanDerWaalsContact O-CB 3.31Å; V885-K889 WeakPolarHBondContact O-CB 3.47Å; V885-K889 PolarHBondContact O-N 3.04Å; K887-K889 VanDerWaalsContact C-N 3.33Å; K887-K889 PolarHBondContact O-N 3.03Å; K889-K892 PolarHBondContact O-N 3.42Å; K889-Q893 WeakPolarHBondContact O-CB 3.27Å; K889-Q893 VanDerWaalsContact O-CG 3.26Å; K889-Q893 WeakPolarHBondContact O-CG 3.46Å; K889-Q893 PolarHBondContact O-N 3Å; K889-Q893 VanDerWaalsContact O-N 3.07Å |
| 890 | K | 87.4 | Confident | 85.3 | Confident | 146 Ų | 146 | 68.9 Ų | 68.9 | 64% | 0.635 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.7 | -47.6 | 175.8 | -73.5 | 173.3 | -180 | 179.3 | 0 | 112.1 | S886 K887 Q893 S894 | S886-K890 WeakPolarHBondContact O-CG 3.18Å; S886-K890 PolarHBondContact O-N 3.33Å; S886-K890 VanDerWaalsContact O-N 3.09Å; K887-K890 PolarHBondContact O-N 2.78Å; K890-Q893 PolarHBondContact O-N 2.95Å; K890-Q893 VanDerWaalsContact O-N 3.1Å; K890-S894 PolarHBondContact O-N 3.1Å; K890-S894 PolarHBondContact O-OG 2.92Å |
| 891 | L | 87.7 | Confident | 86 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 14% | 0.141 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.8 | -33.5 | -179.3 | -68 | 165.4 | 0 | 0 | 0 | 113 | V881 K887 V888 Q893 G895 E896 F898 F947 | V881-L891 HydrophobicContact CG1-CD1 3.27Å; K887-L891 WeakPolarHBondContact O-CG 2.91Å; K887-L891 PolarHBondContact O-N 3.42Å; V888-L891 PolarHBondContact O-N 3.3Å; L891-Q893 VanDerWaalsContact C-N 3.29Å; L891-Q893 PolarHBondContact O-N 3.28Å; L891-G895 WeakPolarHBondContact O-CA 3.26Å; L891-G895 PolarHBondContact O-N 2.89Å; L891-E896 HydrophobicContact CD2-CB 4.16Å; L891-F898 HydrophobicContact CD1-CB 4.3Å; L891-F898 HydrophobicContact CD1-CD1 3.86Å; L891-F898 HydrophobicContact CD1-CD2 4.47Å; L891-F898 HydrophobicContact CD1-CE1 4.33Å; L891-F898 HydrophobicContact CD1-CG 3.96Å; L891-F898 HydrophobicContact CD2-CB 4.37Å; L891-F898 HydrophobicContact CD2-CD1 4.24Å; L891-F898 HydrophobicContact CG-CD1 4.49Å; L891-F947 HydrophobicContact CB-CD2 3.8Å; L891-F947 HydrophobicContact CB-CE2 4.01Å |
| 892 | K | 86.5 | Confident | 86.3 | Confident | 109 Ų | 109 | 68.2 Ų | 68.2 | 47% | 0.474 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.8 | -26.8 | 170 | -76.7 | 177.2 | 178.1 | 176.9 | 0 | 113.1 | V888 K889 F947 | V888-K892 HydrophobicContact CG1-CD 3.87Å; V888-K892 HydrophobicContact CG1-CG 4.38Å; V888-K892 WeakPolarHBondContact O-CB 3.42Å; V888-K892 WeakPolarHBondContact O-CG 3.42Å; V888-K892 PolarHBondContact O-N 3.04Å; K889-K892 PolarHBondContact O-N 3.42Å; K892-F947 HydrophobicContact CD-CD1 4.27Å; K892-F947 HydrophobicContact CD-CE1 4.22Å; K892-F947 HydrophobicContact CG-CB 4.09Å; K892-F947 HydrophobicContact CG-CD1 3.55Å; K892-F947 HydrophobicContact CG-CD2 3.91Å; K892-F947 HydrophobicContact CG-CE1 3.86Å; K892-F947 HydrophobicContact CG-CE2 4.21Å; K892-F947 HydrophobicContact CG-CG 3.57Å; K892-F947 HydrophobicContact CG-CZ 4.18Å |
| 893 | Q | 84.8 | Confident | 86.5 | Confident | 146 Ų | 146 | 66.5 Ų | 66.5 | 68% | 0.682 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -86.1 | -41.3 | 178.5 | -75.3 | 175.3 | -38.9 | 0 | 0 | 112.8 | K889 K890 L891 | K889-Q893 WeakPolarHBondContact O-CB 3.27Å; K889-Q893 VanDerWaalsContact O-CG 3.26Å; K889-Q893 WeakPolarHBondContact O-CG 3.46Å; K889-Q893 PolarHBondContact O-N 3Å; K889-Q893 VanDerWaalsContact O-N 3.07Å; K890-Q893 PolarHBondContact O-N 2.95Å; K890-Q893 VanDerWaalsContact O-N 3.1Å; L891-Q893 VanDerWaalsContact C-N 3.29Å; L891-Q893 PolarHBondContact O-N 3.28Å |
| 894 | S | 87.1 | Confident | 86.9 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 49% | 0.49 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -80.8 | -31.2 | 178.8 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | K890 E896 | K890-S894 PolarHBondContact O-N 3.1Å; K890-S894 PolarHBondContact O-OG 2.92Å; S894-E896 PolarHBondContact O-N 3.06Å; S894-E896 WeakPolarHBondContact OG-CB 3.5Å; S894-E896 WeakPolarHBondContact OG-CG 3.36Å; S894-E896 PolarHBondContact OG-N 3.15Å |
| 895 | G | 84.7 | Confident | 86.9 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | trans | 72.4 | 14.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L891 I946 | L891-G895 WeakPolarHBondContact O-CA 3.26Å; L891-G895 PolarHBondContact O-N 2.89Å; G895-I946 VanDerWaalsContact O-CD1 3.24Å; G895-I946 WeakPolarHBondContact O-CD1 3.45Å; G895-I946 WeakPolarHBondContact O-CG1 3.47Å | ||
| 896 | E | 88.2 | Confident | 86.8 | Confident | 117 Ų | 117 | 59.7 Ų | 59.7 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | trans | -67.9 | 135.1 | -179.1 | -74.4 | -63.5 | 147.4 | 0 | 0 | 112.1 | L891 S894 | L891-E896 HydrophobicContact CD2-CB 4.16Å; S894-E896 PolarHBondContact O-N 3.06Å; S894-E896 WeakPolarHBondContact OG-CB 3.5Å; S894-E896 WeakPolarHBondContact OG-CG 3.36Å; S894-E896 PolarHBondContact OG-N 3.15Å | ||
| 897 | P | 89.1 | Confident | 86.6 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 23% | 0.234 | 29% | 0.287 | C | S | . | . | trans | -74.9 | 131.4 | 174.2 | 29.6 | -34.5 | 0 | 0 | 0 | 112.3 | L945 I946 E956 | P897-L945 CarbonylContact C-O 3.48Å; P897-L945 VanDerWaalsContact CA-O 3.24Å; P897-L945 WeakPolarHBondContact CA-O 3.23Å; P897-I946 HydrophobicContact CB-CB 4.29Å; P897-I946 HydrophobicContact CB-CD1 4.45Å; P897-I946 HydrophobicContact CB-CG1 4.46Å; P897-E956 HydrophobicContact CB-CB 4.25Å; P897-E956 HydrophobicContact CB-CG 4.01Å | ||
| 898 | F | 90.3 | Very high | 86.4 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 10% | 0.096 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 169.8 | -179.5 | 62.6 | -78.4 | 0 | 0 | 0 | 111.1 | V881 L882 L891 R944 L945 F947 L953 | V881-F898 HydrophobicContact CB-CD2 4.49Å; V881-F898 HydrophobicContact CG1-CD2 3.96Å; V881-F898 HydrophobicContact CG1-CE2 4.29Å; V881-F898 HydrophobicContact CG1-CG 4.45Å; L882-F898 HydrophobicContact CD2-CE2 3.97Å; L882-F898 HydrophobicContact CD2-CZ 3.85Å; L882-F898 HydrophobicContact CG-CE2 4.25Å; L891-F898 HydrophobicContact CD1-CB 4.3Å; L891-F898 HydrophobicContact CD1-CD1 3.86Å; L891-F898 HydrophobicContact CD1-CD2 4.47Å; L891-F898 HydrophobicContact CD1-CE1 4.33Å; L891-F898 HydrophobicContact CD1-CG 3.96Å; L891-F898 HydrophobicContact CD2-CB 4.37Å; L891-F898 HydrophobicContact CD2-CD1 4.24Å; L891-F898 HydrophobicContact CG-CD1 4.49Å; F898-R944 CarbonylContact O-C 3.55Å; F898-R944 WeakPolarHBondContact O-CA 3.2Å; F898-L945 VanDerWaalsContact CD1-O 3.22Å; F898-L945 WeakPolarHBondContact CD1-O 3.3Å; F898-L945 HydrophobicContact CE1-CB 4.17Å; F898-L945 WeakPolarHBondContact CE1-O 3.28Å; F898-L945 HydrophobicContact CE2-CB 4.18Å; F898-L945 HydrophobicContact CE2-CD1 4.47Å; F898-L945 HydrophobicContact CZ-CB 3.9Å; F898-L945 PolarHBondContact N-O 2.63Å; F898-L945 PolarHBondContact O-N 2.76Å; F898-F947 AromaticContact CE1-CD2 3.79Å; F898-F947 HydrophobicContact CE1-CD2 3.79Å; F898-F947 AromaticContact CE1-CE2 3.69Å; F898-F947 HydrophobicContact CE1-CE2 3.69Å; F898-F947 HydrophobicContact CZ-CD2 4.42Å; F898-F947 AromaticContact CZ-CE2 3.9Å; F898-F947 HydrophobicContact CZ-CE2 3.9Å; F898-F947 HydrophobicContact CZ-CZ 4.49Å; F898-L953 HydrophobicContact CZ-CD2 3.91Å |
| 899 | L | 89.4 | Confident | 86.1 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 146.6 | 178 | -70.7 | 170.5 | 0 | 0 | 0 | 112 | D901 R944 L959 | L899-D901 PolarHBondContact O-N 3.1Å; L899-R944 HydrophobicContact CD2-CG 3.7Å; L899-L959 HydrophobicContact CD1-CD1 4.12Å; L899-L959 HydrophobicContact CD1-CD2 4.45Å; L899-L959 HydrophobicContact CD2-CD1 3.71Å; L899-L959 HydrophobicContact CD2-CD2 3.88Å; L899-L959 HydrophobicContact CD2-CG 3.59Å |
| 900 | Q | 90.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | trans | -69.5 | 109.1 | 169.5 | -169.6 | -173.2 | -47 | 0 | 0 | 109.7 | G902 V907 C937 F940 H941 R943 L945 | Q900-G902 PolarHBondContact NE2-O 3.05Å; Q900-V907 HydrophobicContact CG-CG1 4.25Å; Q900-V907 HydrophobicContact CG-CG2 3.87Å; Q900-C937 PolarHBondContact NE2-SG 3.04Å; Q900-F940 CarbonylContact O-C 3.54Å; Q900-F940 WeakPolarHBondContact O-CA 3.47Å; Q900-H941 PolarHBondContact O-N 2.98Å; Q900-R943 HydrophobicContact CB-CB 4.34Å; Q900-R943 PolarHBondContact N-O 3.41Å; Q900-L945 HydrophobicContact CB-CD1 3.79Å; Q900-L945 HydrophobicContact CB-CG 4.2Å; Q900-L945 HydrophobicContact CG-CD1 3.87Å | ||
| 901 | D | 86.4 | Confident | 85.9 | Confident | 30 Ų | 30 | 48.4 Ų | 48.4 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | trans | -116.9 | 30.8 | -175.9 | 64.3 | -7.6 | 0 | 0 | 0 | 112.3 | S880 V881 L899 | S880-D901 WeakPolarHBondContact CA-OD2 3.43Å; S880-D901 VanDerWaalsContact CB-OD1 3.29Å; S880-D901 WeakPolarHBondContact CB-OD1 3.41Å; S880-D901 PolarHBondContact OG-OD1 3.12Å; V881-D901 WeakPolarHBondContact CB-OD2 3.39Å; V881-D901 VanDerWaalsContact CG2-OD2 3.22Å; V881-D901 WeakPolarHBondContact CG2-OD2 3.5Å; V881-D901 PolarHBondContact N-OD1 3.48Å; V881-D901 PolarHBondContact N-OD2 2.78Å; L899-D901 PolarHBondContact O-N 3.1Å | ||
| 902 | G | 84.1 | Confident | 85.8 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 6% | 0.062 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -154.4 | 168.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q900 V907 | Q900-G902 PolarHBondContact NE2-O 3.05Å; G902-V907 WeakPolarHBondContact O-CG2 3.42Å |
| 903 | S | 87.5 | Confident | 86 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | trans | -61.5 | 147.4 | -175.5 | 76.4 | 0 | 0 | 0 | 0 | 111.8 | I905 N906 V907 | S903-I905 PolarHBondContact O-N 2.84Å; S903-I905 VanDerWaalsContact OG-CG2 3.29Å; S903-I905 WeakPolarHBondContact OG-CG2 3.44Å; S903-N906 PolarHBondContact O-N 3.49Å; S903-N906 VanDerWaalsContact O-N 3.08Å; S903-N906 VanDerWaalsContact OG-CB 3.3Å; S903-N906 WeakPolarHBondContact OG-CB 3.22Å; S903-N906 PolarHBondContact OG-N 3.5Å; S903-N906 PolarHBondContact OG-ND2 2.86Å; S903-N906 VanDerWaalsContact OG-ND2 3.17Å; S903-V907 VanDerWaalsContact O-CG2 3.25Å; S903-V907 WeakPolarHBondContact O-CG2 3.49Å; S903-V907 PolarHBondContact O-N 2.84Å; S903-V907 VanDerWaalsContact O-N 3.14Å | ||
| 904 | C | 89.4 | Confident | 86.3 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.1 | -172.3 | -47 | 0 | 0 | 0 | 0 | 112.4 | C914 C917 C937 | C904-C914 PolarHBondContact SG-SG 3.46Å; C904-C917 HydrophobicContact CB-CB 3.64Å; C904-C917 PolarHBondContact N-SG 2.84Å; C904-C917 VanDerWaalsContact N-SG 3.45Å; C904-C937 VanDerWaalsContact CA-SG 3.57Å; C904-C937 HydrophobicContact CB-CB 4.28Å; C904-C937 WeakPolarHBondContact CB-SG 3.16Å; C904-C937 PolarHBondContact N-SG 3.04Å; C904-C937 WeakPolarHBondContact SG-CB 3.48Å; C904-C937 CovalentContact SG-SG 2.06Å; C904-C937 PolarHBondContact SG-SG 2.7Å |
| 905 | I | 84.3 | Confident | 86.2 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 18% | 0.179 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -36.9 | 176.2 | -177.7 | 173.9 | 0 | 0 | 0 | 112.3 | S903 C917 R921 | S903-I905 PolarHBondContact O-N 2.84Å; S903-I905 VanDerWaalsContact OG-CG2 3.29Å; S903-I905 WeakPolarHBondContact OG-CG2 3.44Å; I905-C917 HydrophobicContact CB-CB 4.17Å; I905-C917 HydrophobicContact CG2-CB 4.23Å; I905-R921 HydrophobicContact CD1-CB 3.81Å; I905-R921 HydrophobicContact CD1-CG 4.28Å |
| 906 | N | 81.9 | Confident | 86.2 | Confident | 100 Ų | 100 | 41.9 Ų | 41.9 | 54% | 0.535 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -24.9 | -175.4 | -63.5 | -7.3 | 0 | 0 | 0 | 113.4 | S903 D932 | S903-N906 PolarHBondContact O-N 3.49Å; S903-N906 VanDerWaalsContact O-N 3.08Å; S903-N906 VanDerWaalsContact OG-CB 3.3Å; S903-N906 WeakPolarHBondContact OG-CB 3.22Å; S903-N906 PolarHBondContact OG-N 3.5Å; S903-N906 PolarHBondContact OG-ND2 2.86Å; S903-N906 VanDerWaalsContact OG-ND2 3.17Å; N906-D932 PolarHBondContact ND2-OD1 2.88Å |
| 907 | V | 83.1 | Confident | 86.2 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -68.1 | -49.8 | -173.3 | 164.7 | 0 | 0 | 0 | 0 | 113.8 | L882 Q900 G902 S903 L911 L945 L953 | L882-V907 HydrophobicContact CD1-CB 4.35Å; L882-V907 HydrophobicContact CD1-CG1 3.78Å; L882-V907 HydrophobicContact CD1-CG2 4.43Å; Q900-V907 HydrophobicContact CG-CG1 4.25Å; Q900-V907 HydrophobicContact CG-CG2 3.87Å; G902-V907 WeakPolarHBondContact O-CG2 3.42Å; S903-V907 VanDerWaalsContact O-CG2 3.25Å; S903-V907 WeakPolarHBondContact O-CG2 3.49Å; S903-V907 PolarHBondContact O-N 2.84Å; S903-V907 VanDerWaalsContact O-N 3.14Å; V907-L911 HydrophobicContact CB-CD1 4.49Å; V907-L911 HydrophobicContact CG1-CD1 3.64Å; V907-L945 HydrophobicContact CG1-CD1 3.55Å; V907-L953 HydrophobicContact CG1-CD2 4.31Å |
| 908 | A | 81.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | trans | -166.9 | 141.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | H910 L911 | A908-H910 VanDerWaalsContact C-N 3.31Å; A908-H910 PolarHBondContact O-N 2.77Å; A908-L911 HydrophobicContact CB-CD1 3.93Å; A908-L911 HydrophobicContact CB-CG 4.09Å; A908-L911 PolarHBondContact O-N 2.76Å | ||
| 909 | P | 79.1 | Confident | 85.2 | Confident | 99 Ų | 99 | 42.7 Ų | 42.7 | 64% | 0.643 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -24.6 | -170.6 | 27.4 | -36.1 | 0 | 0 | 0 | 114.4 | K913 | P909-K913 PolarHBondContact O-NZ 3.27Š|
| 910 | H | 81.3 | Confident | 84.4 | Confident | 102 Ų | 102 | 42.9 Ų | 42.9 | 47% | 0.472 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.2 | -176.8 | 62.9 | -78.5 | 0 | 0 | 0 | 114.4 | A908 L953 | A908-H910 VanDerWaalsContact C-N 3.31Å; A908-H910 PolarHBondContact O-N 2.77Å; H910-L953 PolarHBondContact NE2-O 3.2Å |
| 911 | L | 86.4 | Confident | 83.2 | Confident | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -74.3 | 151.7 | 173.9 | -67.1 | 173.2 | 0 | 0 | 0 | 111 | V907 A908 K913 L945 V955 | V907-L911 HydrophobicContact CB-CD1 4.49Å; V907-L911 HydrophobicContact CG1-CD1 3.64Å; A908-L911 HydrophobicContact CB-CD1 3.93Å; A908-L911 HydrophobicContact CB-CG 4.09Å; A908-L911 PolarHBondContact O-N 2.76Å; L911-K913 PolarHBondContact O-N 3.15Å; L911-K913 PolarHBondContact O-NZ 3.26Å; L911-L945 HydrophobicContact CD1-CD1 4.18Å; L911-L945 HydrophobicContact CD1-CD2 3.97Å; L911-L945 HydrophobicContact CD2-CD2 4.1Å; L911-V955 HydrophobicContact CD2-CG2 3.68Å |
| 912 | H | 87.2 | Confident | 82 | Confident | 110 Ų | 110 | 53.9 Ų | 53.9 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 117.7 | 169.4 | -64.6 | -57.3 | 0 | 0 | 0 | 109.6 | R943 K1047 | H912-R943 PolarHBondContact O-NH1 2.92Å; H912-R943 PolarHBondContact O-NH2 3.45Å; H912-K1047 VanDerWaalsContact CB-O 3.29Å; H912-K1047 WeakPolarHBondContact CB-O 3.48Å |
| 913 | K | 89.3 | Confident | 81 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 22% | 0.222 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 151.6 | 173.8 | -62 | 93.2 | -166.8 | 167 | 0 | 109.8 | P909 L911 C917 R918 | P909-K913 PolarHBondContact O-NZ 3.27Å; L911-K913 PolarHBondContact O-N 3.15Å; L911-K913 PolarHBondContact O-NZ 3.26Å; K913-C917 HydrophobicContact CB-CB 4.22Å; K913-R918 HydrophobicContact CB-CB 4.48Å |
| 914 | C | 91.3 | Very high | 79.5 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | trans | -71.9 | 177.1 | 166.1 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | C904 E916 C917 R918 R938 F939 C1048 | C904-C914 PolarHBondContact SG-SG 3.46Å; C914-E916 VanDerWaalsContact C-N 3.31Å; C914-E916 PolarHBondContact O-N 3.27Å; C914-E916 PolarHBondContact SG-OE2 3.49Å; C914-C917 PolarHBondContact SG-N 3.09Å; C914-R918 VanDerWaalsContact O-CB 3.25Å; C914-R918 WeakPolarHBondContact O-CB 3.42Å; C914-R918 PolarHBondContact O-N 3.01Å; C914-R938 HydrophobicContact CB-CB 4.02Å; C914-F939 HydrophobicContact CB-CD2 3.81Å; C914-F939 HydrophobicContact CB-CE2 3.81Å; C914-C1048 CarbonylContact C-O 3.59Å; C914-C1048 WeakPolarHBondContact CA-O 3.4Å; C914-C1048 WeakPolarHBondContact CB-O 3.47Å | ||
| 915 | R | 84.8 | Confident | 77.7 | Confident | 39 Ų | 39 | 73.3 Ų | 73.3 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -50.6 | -50.5 | 172.5 | 173.8 | -176.9 | -178.7 | -170.3 | -1.7 | 111.2 | S813 T814 R918 L919 D1032 C1048 L1080 | S813-R915 PolarHBondContact O-NH2 3.03Å; T814-R915 VanDerWaalsContact CG2-NH2 3.32Å; R915-R918 WeakPolarHBondContact O-CB 3.42Å; R915-R918 PolarHBondContact O-N 3.38Å; R915-L919 HydrophobicContact CG-CD1 4.23Å; R915-L919 WeakPolarHBondContact O-CG 3Å; R915-L919 PolarHBondContact O-N 2.88Å; R915-D1032 IonicContact CZ-OD1 2.77Å; R915-D1032 IonicContact NH1-OD1 2.74Å; R915-D1032 PolarHBondContact NH1-OD1 2.88Å; R915-C1048 PolarHBondContact N-O 2.84Å; R915-L1080 VanDerWaalsContact NH2-CD1 3.31Å |
| 916 | E | 84.8 | Confident | 76.1 | Confident | 41 Ų | 41 | 78 Ų | 78 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.1 | -56.2 | -174 | -59.1 | 64.9 | -139.6 | 0 | 0 | 110.6 | C914 R918 L919 E920 A936 R938 | C914-E916 VanDerWaalsContact C-N 3.31Å; C914-E916 PolarHBondContact O-N 3.27Å; C914-E916 PolarHBondContact SG-OE2 3.49Å; E916-R918 PolarHBondContact O-N 3.22Å; E916-L919 PolarHBondContact O-N 2.95Å; E916-E920 WeakPolarHBondContact O-CB 3.09Å; E916-E920 PolarHBondContact O-N 3.21Å; E916-A936 HydrophobicContact CB-CB 4.39Å; E916-A936 VanDerWaalsContact CB-O 3.26Å; E916-A936 WeakPolarHBondContact CB-O 3.11Å; E916-A936 WeakPolarHBondContact CG-O 3.19Å; E916-R938 IonicContact OE1-CZ 2.74Å; E916-R938 IonicContact OE1-NE 3.67Å; E916-R938 PolarHBondContact OE1-NE 3.43Å; E916-R938 IonicContact OE1-NH2 3.32Å; E916-R938 PolarHBondContact OE1-NH2 2.94Å; E916-R938 WeakPolarHBondContact OE2-CD 3.36Å; E916-R938 VanDerWaalsContact OE2-CG 3.29Å; E916-R938 WeakPolarHBondContact OE2-CG 3.41Å; E916-R938 IonicContact OE2-NE 2.71Å; E916-R938 PolarHBondContact OE2-NE 3.46Å; E916-R938 VanDerWaalsContact OE2-NE 3.1Å |
| 917 | C | 88 | Confident | 74.3 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.3 | -4.3 | 175.2 | -64.8 | 0 | 0 | 0 | 0 | 114.5 | C904 I905 K913 C914 | C904-C917 HydrophobicContact CB-CB 3.64Å; C904-C917 PolarHBondContact N-SG 2.84Å; C904-C917 VanDerWaalsContact N-SG 3.45Å; I905-C917 HydrophobicContact CB-CB 4.17Å; I905-C917 HydrophobicContact CG2-CB 4.23Å; K913-C917 HydrophobicContact CB-CB 4.22Å; C914-C917 PolarHBondContact SG-N 3.09Å |
| 918 | R | 83.1 | Confident | 71.9 | Confident | 113 Ų | 113 | 87 Ų | 87 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -87.3 | -46.5 | 164.8 | 174.6 | -178.3 | 171.8 | -155.6 | -7.2 | 110.3 | K913 C914 R915 E916 R921 Y922 | K913-R918 HydrophobicContact CB-CB 4.48Å; C914-R918 VanDerWaalsContact O-CB 3.25Å; C914-R918 WeakPolarHBondContact O-CB 3.42Å; C914-R918 PolarHBondContact O-N 3.01Å; R915-R918 WeakPolarHBondContact O-CB 3.42Å; R915-R918 PolarHBondContact O-N 3.38Å; E916-R918 PolarHBondContact O-N 3.22Å; R918-R921 WeakPolarHBondContact O-CB 3.28Å; R918-R921 PolarHBondContact O-N 3.31Å; R918-Y922 HydrophobicContact CG-CE2 4.01Å; R918-Y922 WeakPolarHBondContact O-CD2 3.41Å |
| 919 | L | 76.2 | Confident | 69.9 | Low | 72 Ų | 72 | 94.6 Ų | 94.6 | 38% | 0.377 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 174.9 | -68.5 | 168 | 0 | 0 | 0 | 111.4 | T814 R915 E916 R921 Y922 R923 | T814-L919 HydrophobicContact CG2-CD1 4.09Å; R915-L919 HydrophobicContact CG-CD1 4.23Å; R915-L919 WeakPolarHBondContact O-CG 3Å; R915-L919 PolarHBondContact O-N 2.88Å; E916-L919 PolarHBondContact O-N 2.95Å; L919-R921 PolarHBondContact O-N 3.42Å; L919-Y922 WeakPolarHBondContact O-CA 3.43Å; L919-Y922 WeakPolarHBondContact O-CB 3.21Å; L919-Y922 PolarHBondContact O-N 3.39Å; L919-R923 PolarHBondContact O-N 2.98Å |
| 920 | E | 72.2 | Confident | 68 | Low | 52 Ų | 52 | 98.4 Ų | 98.4 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.3 | -29.1 | 179.9 | -168.1 | 51.7 | -139.5 | 0 | 0 | 113 | E916 Y922 R923 K924 | E916-E920 WeakPolarHBondContact O-CB 3.09Å; E916-E920 PolarHBondContact O-N 3.21Å; E920-Y922 VanDerWaalsContact C-N 3.28Å; E920-Y922 PolarHBondContact O-N 3.48Å; E920-R923 PolarHBondContact O-N 3.41Å; E920-R923 WeakPolarHBondContact OE2-CD 3.15Å; E920-R923 IonicContact OE2-CZ 3.98Å; E920-R923 IonicContact OE2-NE 2.71Å; E920-R923 IonicContact OE2-NH1 2.82Å; E920-R923 PolarHBondContact OE2-NH1 2.77Å; E920-K924 PolarHBondContact O-N 3.03Å; E920-K924 WeakPolarHBondContact OE1-CE 3.15Å; E920-K924 WeakPolarHBondContact OE1-CG 3.38Å |
| 921 | R | 64.8 | Low | 66.2 | Low | 108 Ų | 108 | 98.8 Ų | 98.8 | 41% | 0.408 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.8 | -28.3 | 172.6 | 178.9 | 171.4 | -78.8 | -132 | -9 | 112.7 | I905 R918 L919 | I905-R921 HydrophobicContact CD1-CB 3.81Å; I905-R921 HydrophobicContact CD1-CG 4.28Å; R918-R921 WeakPolarHBondContact O-CB 3.28Å; R918-R921 PolarHBondContact O-N 3.31Å; L919-R921 PolarHBondContact O-N 3.42Å |
| 922 | Y | 61 | Low | 64.1 | Low | 155 Ų | 155 | 101.5 Ų | 101.5 | 61% | 0.608 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -79.6 | -35.4 | 174.6 | -66.7 | -79.1 | 0 | 0 | 0 | 111.4 | R918 L919 E920 | R918-Y922 HydrophobicContact CG-CE2 4.01Å; R918-Y922 WeakPolarHBondContact O-CD2 3.41Å; L919-Y922 WeakPolarHBondContact O-CA 3.43Å; L919-Y922 WeakPolarHBondContact O-CB 3.21Å; L919-Y922 PolarHBondContact O-N 3.39Å; E920-Y922 VanDerWaalsContact C-N 3.28Å; E920-Y922 PolarHBondContact O-N 3.48Å |
| 923 | R | 62.8 | Low | 62.3 | Low | 130 Ų | 130 | 99.7 Ų | 99.7 | 49% | 0.491 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.8 | -57.9 | 170.7 | -64.4 | -171.2 | -175.5 | 145.6 | -17 | 111.1 | D817 L919 E920 F925 K926 E927 | D817-R923 IonicContact OD2-NH2 3.48Å; L919-R923 PolarHBondContact O-N 2.98Å; E920-R923 PolarHBondContact O-N 3.41Å; E920-R923 WeakPolarHBondContact OE2-CD 3.15Å; E920-R923 IonicContact OE2-CZ 3.98Å; E920-R923 IonicContact OE2-NE 2.71Å; E920-R923 IonicContact OE2-NH1 2.82Å; E920-R923 PolarHBondContact OE2-NH1 2.77Å; R923-F925 PolarHBondContact O-N 3.41Å; R923-K926 PolarHBondContact O-N 2.83Å; R923-E927 PolarHBondContact O-N 2.98Å |
| 924 | K | 56 | Low | 60.6 | Low | 105 Ų | 105 | 98.8 Ų | 98.8 | 46% | 0.457 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 18.2 | -179 | -62 | -166.4 | 175.7 | -165.3 | 0 | 115.5 | E920 D931 | E920-K924 PolarHBondContact O-N 3.03Å; E920-K924 WeakPolarHBondContact OE1-CE 3.15Å; E920-K924 WeakPolarHBondContact OE1-CG 3.38Å; K924-D931 PolarHBondContact NZ-O 2.82Å |
| 925 | F | 52.6 | Low | 59 | Low | 189 Ų | 189 | 102.4 Ų | 102.4 | 83% | 0.829 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -8.8 | 163.1 | -154.7 | -93.1 | 0 | 0 | 0 | 112.2 | R923 | R923-F925 PolarHBondContact O-N 3.41Š|
| 926 | K | 50.4 | Low | 58.5 | Low | 134 Ų | 134 | 103.6 Ų | 103.6 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -41.7 | -177.7 | -160.2 | -168.4 | 175.2 | -148.3 | 0 | 112.6 | V368 R923 | V368-K926 HydrophobicContact CG2-CD 4.33Å; R923-K926 PolarHBondContact O-N 2.83Å |
| 927 | E | 43.8 | Very low | 58.7 | Low | 131 Ų | 131 | 101.8 Ų | 101.8 | 61% | 0.612 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -107.6 | 140.1 | 166.5 | -72.8 | 97.8 | -131.9 | 0 | 0 | 110.7 | R923 | R923-E927 PolarHBondContact O-N 2.98Š|
| 928 | Q | 33.8 | Very low | 58.8 | Low | 172 Ų | 172 | 103.8 Ų | 103.8 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | trans | -116.2 | 135.2 | -177.5 | 173.5 | 172.2 | -18.2 | 0 | 0 | 110.1 | ||||
| 929 | E | 38.4 | Very low | 59.2 | Low | 168 Ų | 168 | 98.4 Ų | 98.4 | 79% | 0.785 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 86 | 149.6 | -179.2 | -70.4 | 161.7 | -169.3 | 0 | 0 | 117.1 | ||
| 930 | Q | 39.9 | Very low | 59.9 | Low | 178 Ų | 178 | 95.9 Ų | 95.9 | 83% | 0.832 | 46% | 0.456 | S | S | * | . | trans | 64.7 | 81.4 | 165.1 | -145.5 | 143.1 | -13.3 | 0 | 0 | 119.9 | ||||
| 931 | D | 42.6 | Very low | 60.6 | Low | 110 Ų | 110 | 96.1 Ų | 96.1 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | 173.8 | 156.9 | 105.9 | -173.4 | 44.1 | 0 | 0 | 0 | 111.4 | K924 S933 | K924-D931 PolarHBondContact NZ-O 2.82Å; D931-S933 PolarHBondContact OD2-N 3.23Å; D931-S933 VanDerWaalsContact OD2-N 3.11Å | |||
| 932 | D | 42.9 | Very low | 61.9 | Low | 66 Ų | 66 | 91 Ų | 91 | 35% | 0.353 | 44% | 0.438 | S | S | . | . | trans | -116.1 | 27 | -172 | -154.7 | 27.6 | 0 | 0 | 0 | 113.8 | K883 N906 T934 | K883-D932 IonicContact NZ-OD2 2.62Å; K883-D932 PolarHBondContact NZ-OD2 3.39Å; N906-D932 PolarHBondContact ND2-OD1 2.88Å; D932-T934 PolarHBondContact O-N 2.84Å | ||
| 933 | S | 50.2 | Low | 63.5 | Low | 73 Ų | 73 | 83.8 Ų | 83.8 | 51% | 0.51 | 41% | 0.409 | S | S | . | . | trans | -48.6 | 113.7 | 168.5 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | D931 | D931-S933 PolarHBondContact OD2-N 3.23Å; D931-S933 VanDerWaalsContact OD2-N 3.11Å | ||
| 934 | T | 54 | Low | 64.9 | Low | 31 Ų | 31 | 79.4 Ų | 79.4 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | trans | -95 | -4.8 | -170.9 | 31.8 | 0 | 0 | 0 | 0 | 114 | D932 A936 | D932-T934 PolarHBondContact O-N 2.84Å; T934-A936 PolarHBondContact O-N 3.03Å | ||
| 935 | V | 57.6 | Low | 66.7 | Low | 77 Ų | 77 | 74.4 Ų | 74.4 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -33.9 | -165.6 | -174 | 0 | 0 | 0 | 0 | 113 | C937 V1027 | V935-C937 VanDerWaalsContact C-N 3.32Å; V935-C937 PolarHBondContact O-N 3.05Å; V935-V1027 HydrophobicContact CG1-CG2 3.47Å; V935-V1027 VanDerWaalsContact CG1-CG2 3.47Å |
| 936 | A | 74.3 | Confident | 68.6 | Low | 64 Ų | 64 | 67.7 Ų | 67.7 | 53% | 0.529 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -5.9 | -173 | 0 | 0 | 0 | 0 | 0 | 116.5 | E916 T934 R938 | E916-A936 HydrophobicContact CB-CB 4.39Å; E916-A936 VanDerWaalsContact CB-O 3.26Å; E916-A936 WeakPolarHBondContact CB-O 3.11Å; E916-A936 WeakPolarHBondContact CG-O 3.19Å; T934-A936 PolarHBondContact O-N 3.03Å; A936-R938 PolarHBondContact O-N 2.44Å |
| 937 | C | 89.1 | Confident | 70.5 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.027 | 32% | 0.318 | C | S | . | . | trans | -85 | 105.8 | -177.2 | 166 | 0 | 0 | 0 | 0 | 112.3 | Q900 C904 V935 F939 F940 | Q900-C937 PolarHBondContact NE2-SG 3.04Å; C904-C937 VanDerWaalsContact CA-SG 3.57Å; C904-C937 HydrophobicContact CB-CB 4.28Å; C904-C937 WeakPolarHBondContact CB-SG 3.16Å; C904-C937 PolarHBondContact N-SG 3.04Å; C904-C937 WeakPolarHBondContact SG-CB 3.48Å; C904-C937 CovalentContact SG-SG 2.06Å; C904-C937 PolarHBondContact SG-SG 2.7Å; V935-C937 VanDerWaalsContact C-N 3.32Å; V935-C937 PolarHBondContact O-N 3.05Å; C937-F939 PolarHBondContact O-N 2.83Å; C937-F940 HydrophobicContact CB-CB 4.38Å; C937-F940 WeakPolarHBondContact O-CB 3.27Å; C937-F940 PolarHBondContact O-N 2.85Å | ||
| 938 | R | 89.1 | Confident | 72.7 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 18% | 0.177 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -13.9 | 177.9 | -69.1 | -177.3 | -167.1 | -136.2 | -2.1 | 117.5 | C914 E916 A936 K1021 D1032 G1049 | C914-R938 HydrophobicContact CB-CB 4.02Å; E916-R938 IonicContact OE1-CZ 2.74Å; E916-R938 IonicContact OE1-NE 3.67Å; E916-R938 PolarHBondContact OE1-NE 3.43Å; E916-R938 IonicContact OE1-NH2 3.32Å; E916-R938 PolarHBondContact OE1-NH2 2.94Å; E916-R938 WeakPolarHBondContact OE2-CD 3.36Å; E916-R938 VanDerWaalsContact OE2-CG 3.29Å; E916-R938 WeakPolarHBondContact OE2-CG 3.41Å; E916-R938 IonicContact OE2-NE 2.71Å; E916-R938 PolarHBondContact OE2-NE 3.46Å; E916-R938 VanDerWaalsContact OE2-NE 3.1Å; A936-R938 PolarHBondContact O-N 2.44Å; R938-K1021 WeakPolarHBondContact O-CE 3.37Å; R938-D1032 IonicContact CZ-OD1 2.78Å; R938-D1032 VanDerWaalsContact CZ-OD1 3.23Å; R938-D1032 IonicContact CZ-OD2 2.68Å; R938-D1032 IonicContact NH1-OD1 3.58Å; R938-D1032 PolarHBondContact NH1-OD1 3.06Å; R938-D1032 IonicContact NH1-OD2 3.62Å; R938-D1032 PolarHBondContact NH1-OD2 3.28Å; R938-D1032 IonicContact NH2-OD1 2.66Å; R938-D1032 PolarHBondContact NH2-OD1 3.26Å; R938-D1032 IonicContact NH2-OD2 3.4Å; R938-G1049 WeakPolarHBondContact CD-O 3.42Å; R938-G1049 PolarHBondContact NH1-O 2.93Å; R938-G1049 VanDerWaalsContact NH1-O 3.13Å |
| 939 | F | 92.3 | Very high | 75.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -5.2 | 176.7 | -65.4 | -57.3 | 0 | 0 | 0 | 113.8 | C914 C937 F942 R943 F958 K1047 G1049 | C914-F939 HydrophobicContact CB-CD2 3.81Å; C914-F939 HydrophobicContact CB-CE2 3.81Å; C937-F939 PolarHBondContact O-N 2.83Å; F939-F942 HydrophobicContact CD1-CD1 4.2Å; F939-F942 PolarHBondContact O-N 2.79Å; F939-F942 VanDerWaalsContact O-N 3.16Å; F939-R943 HydrophobicContact CB-CB 3.93Å; F939-R943 HydrophobicContact CD1-CB 4.31Å; F939-R943 VanDerWaalsContact CD2-CZ 3.41Å; F939-R943 VanDerWaalsContact CD2-NH2 3.32Å; F939-R943 HydrophobicContact CG-CB 4.43Å; F939-R943 VanDerWaalsContact CZ-NH2 3.27Å; F939-R943 PolarHBondContact O-N 2.77Å; F939-F958 AromaticContact CD1-CE1 3.81Å; F939-F958 HydrophobicContact CD1-CE1 3.81Å; F939-F958 AromaticContact CE1-CE1 3.75Å; F939-F958 HydrophobicContact CE1-CE1 3.75Å; F939-F958 HydrophobicContact CE1-CZ 4.17Å; F939-K1047 WeakPolarHBondContact CE2-O 3.37Å; F939-K1047 WeakPolarHBondContact CZ-O 3.33Å; F939-G1049 VanDerWaalsContact CZ-N 3.26Å |
| 940 | F | 89.5 | Confident | 77.3 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 9% | 0.088 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 131 | 172.3 | -174.6 | -111.6 | 0 | 0 | 0 | 110.7 | Q900 C937 F942 V1024 | Q900-F940 CarbonylContact O-C 3.54Å; Q900-F940 WeakPolarHBondContact O-CA 3.47Å; C937-F940 HydrophobicContact CB-CB 4.38Å; C937-F940 WeakPolarHBondContact O-CB 3.27Å; C937-F940 PolarHBondContact O-N 2.85Å; F940-F942 PolarHBondContact O-N 3.16Å; F940-V1024 HydrophobicContact CD1-CG1 4.22Å; F940-V1024 HydrophobicContact CD1-CG2 4.25Å; F940-V1024 HydrophobicContact CE1-CG1 4.06Å |
| 941 | H | 87.8 | Confident | 79.2 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 12.2 | -171.8 | -73.3 | -59 | 0 | 0 | 0 | 117.2 | Q900 L959 | Q900-H941 PolarHBondContact O-N 2.98Å; H941-L959 VanDerWaalsContact O-CD1 3.23Å; H941-L959 WeakPolarHBondContact O-CD1 3.48Å |
| 942 | F | 92.4 | Very high | 81.3 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -44.8 | -177.5 | 179.2 | -146 | 0 | 0 | 0 | 113.1 | F939 F940 F958 L959 A1019 W1020 K1021 V1044 M1094 T1096 | F939-F942 HydrophobicContact CD1-CD1 4.2Å; F939-F942 PolarHBondContact O-N 2.79Å; F939-F942 VanDerWaalsContact O-N 3.16Å; F940-F942 PolarHBondContact O-N 3.16Å; F942-F958 AromaticContact CD1-CD1 3.98Å; F942-F958 HydrophobicContact CD1-CD1 3.98Å; F942-F958 HydrophobicContact CD1-CE1 4.29Å; F942-F958 HydrophobicContact CD2-CB 4.39Å; F942-F958 HydrophobicContact CD2-CD1 4.14Å; F942-F958 AromaticContact CE1-CD1 3.85Å; F942-F958 HydrophobicContact CE1-CD1 3.85Å; F942-F958 HydrophobicContact CE1-CE1 4.15Å; F942-F958 HydrophobicContact CE2-CB 4.05Å; F942-F958 HydrophobicContact CE2-CD1 4.03Å; F942-F958 HydrophobicContact CE2-CG 4.35Å; F942-F958 HydrophobicContact CG-CD1 4.12Å; F942-F958 HydrophobicContact CZ-CB 4.49Å; F942-F958 AromaticContact CZ-CD1 3.89Å; F942-F958 HydrophobicContact CZ-CD1 3.89Å; F942-F958 HydrophobicContact CZ-CG 4.35Å; F942-F958 WeakPolarHBondContact O-CA 3.28Å; F942-L959 PolarHBondContact O-N 2.73Å; F942-A1019 HydrophobicContact CE2-CB 3.9Å; F942-A1019 HydrophobicContact CZ-CB 4.15Å; F942-W1020 VanDerWaalsContact CD2-O 3.26Å; F942-W1020 WeakPolarHBondContact CD2-O 3.48Å; F942-W1020 WeakPolarHBondContact CE2-O 3.49Å; F942-K1021 HydrophobicContact CB-CG 4.19Å; F942-K1021 HydrophobicContact CD1-CD 4.32Å; F942-K1021 HydrophobicContact CD1-CG 4.19Å; F942-K1021 HydrophobicContact CD2-CB 3.98Å; F942-K1021 HydrophobicContact CD2-CG 4.03Å; F942-K1021 HydrophobicContact CE2-CB 4Å; F942-K1021 HydrophobicContact CE2-CG 4.42Å; F942-K1021 HydrophobicContact CG-CB 4.35Å; F942-K1021 HydrophobicContact CG-CG 3.9Å; F942-K1021 HydrophobicContact CZ-CB 4.4Å; F942-V1044 HydrophobicContact CE1-CG1 4.22Å; F942-M1094 HydrophobicContact CE1-CE 3.73Å; F942-M1094 HydrophobicContact CZ-CE 3.57Å; F942-T1096 HydrophobicContact CE2-CG2 3.84Å; F942-T1096 HydrophobicContact CZ-CG2 3.63Å |
| 943 | R | 93.2 | Very high | 83.5 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 136.4 | -179.6 | -176.5 | -174.9 | -81.4 | 166.2 | -13 | 110.9 | Q900 H912 F939 L945 V955 F958 | Q900-R943 HydrophobicContact CB-CB 4.34Å; Q900-R943 PolarHBondContact N-O 3.41Å; H912-R943 PolarHBondContact O-NH1 2.92Å; H912-R943 PolarHBondContact O-NH2 3.45Å; F939-R943 HydrophobicContact CB-CB 3.93Å; F939-R943 HydrophobicContact CD1-CB 4.31Å; F939-R943 VanDerWaalsContact CD2-CZ 3.41Å; F939-R943 VanDerWaalsContact CD2-NH2 3.32Å; F939-R943 HydrophobicContact CG-CB 4.43Å; F939-R943 VanDerWaalsContact CZ-NH2 3.27Å; F939-R943 PolarHBondContact O-N 2.77Å; R943-L945 HydrophobicContact CG-CD2 4.15Å; R943-V955 HydrophobicContact CG-CG1 3.89Å; R943-F958 HydrophobicContact CB-CD1 4.22Å; R943-F958 HydrophobicContact CB-CE1 4.06Å; R943-F958 HydrophobicContact CG-CE1 4.2Å |
| 944 | R | 93.3 | Very high | 85.4 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.3 | 174.3 | -66.1 | 176.7 | 72.7 | -136.1 | -2.3 | 110.6 | F898 L899 E956 G957 F958 | F898-R944 CarbonylContact O-C 3.55Å; F898-R944 WeakPolarHBondContact O-CA 3.2Å; L899-R944 HydrophobicContact CD2-CG 3.7Å; R944-E956 WeakPolarHBondContact CB-OE2 3.38Å; R944-E956 IonicContact CZ-OE1 2.74Å; R944-E956 VanDerWaalsContact CZ-OE1 3.27Å; R944-E956 IonicContact CZ-OE2 2.74Å; R944-E956 VanDerWaalsContact CZ-OE2 3.27Å; R944-E956 IonicContact NE-OE2 3.81Å; R944-E956 IonicContact NH1-OE1 2.93Å; R944-E956 PolarHBondContact NH1-OE1 3.28Å; R944-E956 IonicContact NH1-OE2 2.87Å; R944-E956 PolarHBondContact NH1-OE2 2.97Å; R944-E956 IonicContact NH2-OE1 3.95Å; R944-E956 PolarHBondContact NH2-OE1 3.45Å; R944-E956 IonicContact NH2-OE2 3.85Å; R944-E956 PolarHBondContact O-N 3.05Å; R944-G957 PolarHBondContact N-O 2.77Å; R944-G957 PolarHBondContact O-N 3.17Å; R944-F958 WeakPolarHBondContact CD-O 3.29Å |
| 945 | L | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.8 | -176.1 | -59.9 | 178.9 | 0 | 0 | 0 | 110.3 | P897 F898 Q900 V907 L911 R943 L953 R954 V955 | P897-L945 CarbonylContact C-O 3.48Å; P897-L945 VanDerWaalsContact CA-O 3.24Å; P897-L945 WeakPolarHBondContact CA-O 3.23Å; F898-L945 VanDerWaalsContact CD1-O 3.22Å; F898-L945 WeakPolarHBondContact CD1-O 3.3Å; F898-L945 HydrophobicContact CE1-CB 4.17Å; F898-L945 WeakPolarHBondContact CE1-O 3.28Å; F898-L945 HydrophobicContact CE2-CB 4.18Å; F898-L945 HydrophobicContact CE2-CD1 4.47Å; F898-L945 HydrophobicContact CZ-CB 3.9Å; F898-L945 PolarHBondContact N-O 2.63Å; F898-L945 PolarHBondContact O-N 2.76Å; Q900-L945 HydrophobicContact CB-CD1 3.79Å; Q900-L945 HydrophobicContact CB-CG 4.2Å; Q900-L945 HydrophobicContact CG-CD1 3.87Å; V907-L945 HydrophobicContact CG1-CD1 3.55Å; L911-L945 HydrophobicContact CD1-CD1 4.18Å; L911-L945 HydrophobicContact CD1-CD2 3.97Å; L911-L945 HydrophobicContact CD2-CD2 4.1Å; R943-L945 HydrophobicContact CG-CD2 4.15Å; L945-L953 HydrophobicContact CD1-CD2 4.14Å; L945-R954 CarbonylContact C-O 3.59Å; L945-R954 VanDerWaalsContact CA-O 3.3Å; L945-R954 WeakPolarHBondContact CA-O 3.49Å; L945-V955 HydrophobicContact CD2-CG2 4.26Å |
| 946 | I | 93.5 | Very high | 88.7 | Confident | 47 Ų | 47 | 57.7 Ų | 57.7 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.5 | -177.9 | -168.1 | 169.7 | 0 | 0 | 0 | 110.4 | G895 P897 L953 R954 E956 | G895-I946 VanDerWaalsContact O-CD1 3.24Å; G895-I946 WeakPolarHBondContact O-CD1 3.45Å; G895-I946 WeakPolarHBondContact O-CG1 3.47Å; P897-I946 HydrophobicContact CB-CB 4.29Å; P897-I946 HydrophobicContact CB-CD1 4.45Å; P897-I946 HydrophobicContact CB-CG1 4.46Å; I946-L953 CarbonylContact O-C 3.52Å; I946-L953 WeakPolarHBondContact O-CA 3.18Å; I946-R954 HydrophobicContact CG2-CB 4.28Å; I946-R954 PolarHBondContact N-O 3.09Å; I946-R954 PolarHBondContact O-N 3.06Å; I946-E956 HydrophobicContact CB-CB 4.02Å; I946-E956 HydrophobicContact CG2-CB 3.85Å |
| 947 | F | 90.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 122.8 | 169.3 | -77.2 | -76.6 | 0 | 0 | 0 | 110.3 | L882 V888 L891 K892 F898 G951 L953 | L882-F947 HydrophobicContact CD2-CE2 4.15Å; L882-F947 HydrophobicContact CD2-CZ 3.77Å; V888-F947 HydrophobicContact CG1-CZ 4.07Å; L891-F947 HydrophobicContact CB-CD2 3.8Å; L891-F947 HydrophobicContact CB-CE2 4.01Å; K892-F947 HydrophobicContact CD-CD1 4.27Å; K892-F947 HydrophobicContact CD-CE1 4.22Å; K892-F947 HydrophobicContact CG-CB 4.09Å; K892-F947 HydrophobicContact CG-CD1 3.55Å; K892-F947 HydrophobicContact CG-CD2 3.91Å; K892-F947 HydrophobicContact CG-CE1 3.86Å; K892-F947 HydrophobicContact CG-CE2 4.21Å; K892-F947 HydrophobicContact CG-CG 3.57Å; K892-F947 HydrophobicContact CG-CZ 4.18Å; F898-F947 AromaticContact CE1-CD2 3.79Å; F898-F947 HydrophobicContact CE1-CD2 3.79Å; F898-F947 AromaticContact CE1-CE2 3.69Å; F898-F947 HydrophobicContact CE1-CE2 3.69Å; F898-F947 HydrophobicContact CZ-CD2 4.42Å; F898-F947 AromaticContact CZ-CE2 3.9Å; F898-F947 HydrophobicContact CZ-CE2 3.9Å; F898-F947 HydrophobicContact CZ-CZ 4.49Å; F947-G951 WeakPolarHBondContact CD1-O 3.3Å; F947-L953 HydrophobicContact CD1-CD1 4.14Å; F947-L953 HydrophobicContact CD1-CG 4.1Å; F947-L953 HydrophobicContact CE1-CD1 3.39Å; F947-L953 HydrophobicContact CE1-CG 3.68Å; F947-L953 HydrophobicContact CZ-CD1 3.9Å; F947-L953 HydrophobicContact CZ-CD2 4.49Å; F947-L953 HydrophobicContact CZ-CG 4.01Å |
| 948 | T | 88 | Confident | 89.8 | Confident | 33 Ų | 33 | 57 Ų | 57 | 20% | 0.202 | 27% | 0.266 | C | S | . | . | trans | -67.5 | 161.4 | 168.6 | 59.2 | 0 | 0 | 0 | 0 | 111.1 | K950 G951 V952 R954 | T948-K950 PolarHBondContact O-N 3.3Å; T948-G951 PolarHBondContact O-N 2.71Å; T948-V952 WeakPolarHBondContact CB-O 3.3Å; T948-V952 WeakPolarHBondContact CG2-O 3.26Å; T948-V952 PolarHBondContact N-O 3.38Å; T948-V952 PolarHBondContact OG1-N 3.19Å; T948-V952 PolarHBondContact OG1-O 2.79Å; T948-R954 HydrophobicContact CG2-CB 4.36Å; T948-R954 VanDerWaalsContact CG2-CD 3.49Å; T948-R954 HydrophobicContact CG2-CG 3.7Å | ||
| 949 | R | 84.6 | Confident | 89.8 | Confident | 266 Ų | 266 | 55.4 Ų | 55.4 | 100% | 1.004 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -15.5 | 172.1 | -62.3 | -177.1 | -176.3 | 171.9 | 1.1 | 114.4 | ||
| 950 | K | 84.7 | Confident | 89.7 | Confident | 194 Ų | 194 | 57 Ų | 57 | 84% | 0.843 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 9 | 173.6 | -63.3 | -169 | 177.2 | -172.7 | 0 | 113.6 | T948 V952 | T948-K950 PolarHBondContact O-N 3.3Å; K950-V952 PolarHBondContact O-N 3.03Å |
| 951 | G | 81.1 | Confident | 89.4 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 75.5 | 1.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | F947 T948 | F947-G951 WeakPolarHBondContact CD1-O 3.3Å; T948-G951 PolarHBondContact O-N 2.71Å |
| 952 | V | 85.6 | Confident | 89.1 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | trans | -88 | 132.4 | 178.5 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | T948 K950 | T948-V952 WeakPolarHBondContact CB-O 3.3Å; T948-V952 WeakPolarHBondContact CG2-O 3.26Å; T948-V952 PolarHBondContact N-O 3.38Å; T948-V952 PolarHBondContact OG1-N 3.19Å; T948-V952 PolarHBondContact OG1-O 2.79Å; K950-V952 PolarHBondContact O-N 3.03Å | ||
| 953 | L | 88.9 | Confident | 88.7 | Confident | 19 Ų | 19 | 64.7 Ų | 64.7 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 145.7 | 173.1 | -69.3 | 87.3 | 0 | 0 | 0 | 111.1 | L882 F898 V907 H910 L945 I946 F947 | L882-L953 HydrophobicContact CD1-CD2 3.89Å; L882-L953 HydrophobicContact CD2-CD2 4.24Å; F898-L953 HydrophobicContact CZ-CD2 3.91Å; V907-L953 HydrophobicContact CG1-CD2 4.31Å; H910-L953 PolarHBondContact NE2-O 3.2Å; L945-L953 HydrophobicContact CD1-CD2 4.14Å; I946-L953 CarbonylContact O-C 3.52Å; I946-L953 WeakPolarHBondContact O-CA 3.18Å; F947-L953 HydrophobicContact CD1-CD1 4.14Å; F947-L953 HydrophobicContact CD1-CG 4.1Å; F947-L953 HydrophobicContact CE1-CD1 3.39Å; F947-L953 HydrophobicContact CE1-CG 3.68Å; F947-L953 HydrophobicContact CZ-CD1 3.9Å; F947-L953 HydrophobicContact CZ-CD2 4.49Å; F947-L953 HydrophobicContact CZ-CG 4.01Å |
| 954 | R | 90.5 | Very high | 88.1 | Confident | 166 Ų | 166 | 65.8 Ų | 65.8 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 161.5 | 163.7 | -73.2 | -173.4 | 179 | -179.6 | -3.6 | 110.2 | L945 I946 T948 | L945-R954 CarbonylContact C-O 3.59Å; L945-R954 VanDerWaalsContact CA-O 3.3Å; L945-R954 WeakPolarHBondContact CA-O 3.49Å; I946-R954 HydrophobicContact CG2-CB 4.28Å; I946-R954 PolarHBondContact N-O 3.09Å; I946-R954 PolarHBondContact O-N 3.06Å; T948-R954 HydrophobicContact CG2-CB 4.36Å; T948-R954 VanDerWaalsContact CG2-CD 3.49Å; T948-R954 HydrophobicContact CG2-CG 3.7Å |
| 955 | V | 91.5 | Very high | 87.6 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 125.6 | 164.5 | -172.2 | 0 | 0 | 0 | 0 | 107.6 | L911 R943 L945 | L911-V955 HydrophobicContact CD2-CG2 3.68Å; R943-V955 HydrophobicContact CG-CG1 3.89Å; L945-V955 HydrophobicContact CD2-CG2 4.26Å |
| 956 | E | 90.3 | Very high | 87.2 | Confident | 82 Ų | 82 | 70.6 Ų | 70.6 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -36.2 | 170.7 | 179.5 | -95 | -162.7 | 0 | 0 | 110.4 | P897 R944 I946 | P897-E956 HydrophobicContact CB-CB 4.25Å; P897-E956 HydrophobicContact CB-CG 4.01Å; R944-E956 WeakPolarHBondContact CB-OE2 3.38Å; R944-E956 IonicContact CZ-OE1 2.74Å; R944-E956 VanDerWaalsContact CZ-OE1 3.27Å; R944-E956 IonicContact CZ-OE2 2.74Å; R944-E956 VanDerWaalsContact CZ-OE2 3.27Å; R944-E956 IonicContact NE-OE2 3.81Å; R944-E956 IonicContact NH1-OE1 2.93Å; R944-E956 PolarHBondContact NH1-OE1 3.28Å; R944-E956 IonicContact NH1-OE2 2.87Å; R944-E956 PolarHBondContact NH1-OE2 2.97Å; R944-E956 IonicContact NH2-OE1 3.95Å; R944-E956 PolarHBondContact NH2-OE1 3.45Å; R944-E956 IonicContact NH2-OE2 3.85Å; R944-E956 PolarHBondContact O-N 3.05Å; I946-E956 HydrophobicContact CB-CB 4.02Å; I946-E956 HydrophobicContact CG2-CB 3.85Å |
| 957 | G | 91.7 | Very high | 86.7 | Confident | 19 Ų | 19 | 73.6 Ų | 73.6 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.8 | -144.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R944 | R944-G957 PolarHBondContact N-O 2.77Å; R944-G957 PolarHBondContact O-N 3.17Å |
| 958 | F | 93 | Very high | 86.4 | Confident | 35 Ų | 35 | 73.5 Ų | 73.5 | 15% | 0.154 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 165.9 | 172.3 | -60.9 | -87.5 | 0 | 0 | 0 | 108 | F939 F942 R943 R944 A1019 R1046 M1094 | F939-F958 AromaticContact CD1-CE1 3.81Å; F939-F958 HydrophobicContact CD1-CE1 3.81Å; F939-F958 AromaticContact CE1-CE1 3.75Å; F939-F958 HydrophobicContact CE1-CE1 3.75Å; F939-F958 HydrophobicContact CE1-CZ 4.17Å; F942-F958 AromaticContact CD1-CD1 3.98Å; F942-F958 HydrophobicContact CD1-CD1 3.98Å; F942-F958 HydrophobicContact CD1-CE1 4.29Å; F942-F958 HydrophobicContact CD2-CB 4.39Å; F942-F958 HydrophobicContact CD2-CD1 4.14Å; F942-F958 AromaticContact CE1-CD1 3.85Å; F942-F958 HydrophobicContact CE1-CD1 3.85Å; F942-F958 HydrophobicContact CE1-CE1 4.15Å; F942-F958 HydrophobicContact CE2-CB 4.05Å; F942-F958 HydrophobicContact CE2-CD1 4.03Å; F942-F958 HydrophobicContact CE2-CG 4.35Å; F942-F958 HydrophobicContact CG-CD1 4.12Å; F942-F958 HydrophobicContact CZ-CB 4.49Å; F942-F958 AromaticContact CZ-CD1 3.89Å; F942-F958 HydrophobicContact CZ-CD1 3.89Å; F942-F958 HydrophobicContact CZ-CG 4.35Å; F942-F958 WeakPolarHBondContact O-CA 3.28Å; R943-F958 HydrophobicContact CB-CD1 4.22Å; R943-F958 HydrophobicContact CB-CE1 4.06Å; R943-F958 HydrophobicContact CG-CE1 4.2Å; R944-F958 WeakPolarHBondContact CD-O 3.29Å; F958-A1019 HydrophobicContact CB-CB 4.07Å; F958-R1046 HydrophobicContact CE2-CB 4.1Å; F958-R1046 HydrophobicContact CE2-CG 3.89Å; F958-R1046 HydrophobicContact CZ-CB 4.27Å; F958-R1046 HydrophobicContact CZ-CG 4.43Å; F958-M1094 HydrophobicContact CD1-CE 3.98Å; F958-M1094 HydrophobicContact CD2-CE 3.97Å; F958-M1094 HydrophobicContact CD2-SD 3.61Å; F958-M1094 HydrophobicContact CE1-CE 3.87Å; F958-M1094 HydrophobicContact CE2-CE 3.87Å; F958-M1094 HydrophobicContact CE2-SD 3.81Å; F958-M1094 HydrophobicContact CG-CE 4.04Å; F958-M1094 HydrophobicContact CG-SD 4.04Å; F958-M1094 HydrophobicContact CZ-CE 3.82Å; F958-M1094 HydrophobicContact CZ-SD 4.38Å |
| 959 | L | 91.1 | Very high | 86.3 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 6% | 0.063 | 37% | 0.369 | C | S | . | . | trans | -59 | 148.8 | 169.6 | -78 | 165.6 | 0 | 0 | 0 | 111.2 | L899 H941 F942 Q963 A1019 W1020 | L899-L959 HydrophobicContact CD1-CD1 4.12Å; L899-L959 HydrophobicContact CD1-CD2 4.45Å; L899-L959 HydrophobicContact CD2-CD1 3.71Å; L899-L959 HydrophobicContact CD2-CD2 3.88Å; L899-L959 HydrophobicContact CD2-CG 3.59Å; H941-L959 VanDerWaalsContact O-CD1 3.23Å; H941-L959 WeakPolarHBondContact O-CD1 3.48Å; F942-L959 PolarHBondContact O-N 2.73Å; L959-Q963 HydrophobicContact CD2-CB 3.89Å; L959-A1019 CarbonylContact O-C 3.59Å; L959-A1019 VanDerWaalsContact O-CA 3.3Å; L959-A1019 WeakPolarHBondContact O-CA 3.19Å; L959-W1020 HydrophobicContact CB-CB 4.36Å; L959-W1020 HydrophobicContact CB-CE3 4.06Å; L959-W1020 WeakPolarHBondContact CB-O 3.24Å; L959-W1020 HydrophobicContact CD1-CE3 3.8Å; L959-W1020 HydrophobicContact CD1-CZ3 3.88Å; L959-W1020 HydrophobicContact CG-CE3 4.35Å; L959-W1020 PolarHBondContact O-N 2.88Å | ||
| 960 | S | 88.6 | Confident | 86.4 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | trans | -106.9 | 156.5 | 166.8 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | Q962 Q963 | S960-Q962 PolarHBondContact O-N 3.34Å; S960-Q963 WeakPolarHBondContact O-CB 3.5Å; S960-Q963 PolarHBondContact O-N 3.32Å; S960-Q963 VanDerWaalsContact OG-CD 3.24Å; S960-Q963 WeakPolarHBondContact OG-CG 3.4Å; S960-Q963 PolarHBondContact OG-OE1 2.88Å | ||
| 961 | P | 84.4 | Confident | 86.5 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -57.8 | -21.1 | -179.5 | -27.1 | 35.3 | 0 | 0 | 0 | 115.1 | S964 V1018 W1020 Q1097 G1101 | P961-S964 PolarHBondContact O-OG 2.78Å; P961-V1018 VanDerWaalsContact CD-O 3.29Å; P961-V1018 WeakPolarHBondContact CD-O 3.29Å; P961-V1018 HydrophobicContact CG-CG1 4.41Å; P961-W1020 HydrophobicContact CG-CB 4.24Å; P961-Q1097 HydrophobicContact CB-CG 4.41Å; P961-Q1097 HydrophobicContact CG-CG 3.8Å; P961-G1101 PolarHBondContact O-N 3.24Å |
| 962 | Q | 81.6 | Confident | 87 | Confident | 157 Ų | 157 | 56.7 Ų | 56.7 | 73% | 0.734 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -85.1 | -8.5 | 177.9 | -57.9 | 76.7 | 14.5 | 0 | 0 | 113 | S960 | S960-Q962 PolarHBondContact O-N 3.34Š|
| 963 | Q | 82.6 | Confident | 87.3 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -98.1 | 12 | 176.8 | -68.5 | 169.1 | -38.7 | 0 | 0 | 112.6 | L959 S960 D965 | L959-Q963 HydrophobicContact CD2-CB 3.89Å; S960-Q963 WeakPolarHBondContact O-CB 3.5Å; S960-Q963 PolarHBondContact O-N 3.32Å; S960-Q963 VanDerWaalsContact OG-CD 3.24Å; S960-Q963 WeakPolarHBondContact OG-CG 3.4Å; S960-Q963 PolarHBondContact OG-OE1 2.88Å; Q963-D965 PolarHBondContact O-N 2.98Å |
| 964 | S | 81 | Confident | 87.3 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | trans | -67.2 | 127.2 | 174.6 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | P961 M969 | P961-S964 PolarHBondContact O-OG 2.78Å; S964-M969 WeakPolarHBondContact OG-CE 3.44Å | ||
| 965 | D | 82.2 | Confident | 86.7 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | trans | -66.8 | 156.6 | 170.8 | 52 | 108.2 | 0 | 0 | 0 | 112.5 | Q963 D967 A968 M969 R1022 | Q963-D965 PolarHBondContact O-N 2.98Å; D965-D967 VanDerWaalsContact C-N 3.27Å; D965-D967 PolarHBondContact O-N 2.86Å; D965-A968 PolarHBondContact O-N 2.96Å; D965-A968 WeakPolarHBondContact OD1-CB 3.35Å; D965-A968 PolarHBondContact OD1-N 2.82Å; D965-A968 WeakPolarHBondContact OD2-CB 3.41Å; D965-M969 PolarHBondContact O-N 2.97Å; D965-R1022 IonicContact OD1-CZ 3.54Å; D965-R1022 IonicContact OD1-NH1 2.76Å; D965-R1022 IonicContact OD1-NH2 3.34Å; D965-R1022 PolarHBondContact OD1-NH2 2.6Å; D965-R1022 IonicContact OD2-CZ 3.34Å; D965-R1022 IonicContact OD2-NH1 2.95Å; D965-R1022 PolarHBondContact OD2-NH1 3.1Å; D965-R1022 IonicContact OD2-NH2 3.33Å; D965-R1022 PolarHBondContact OD2-NH2 3.47Å | ||
| 966 | P | 84.7 | Confident | 85.8 | Confident | 94 Ų | 94 | 55.1 Ų | 55.1 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.6 | -36.9 | 179.3 | -26.3 | 35.8 | 0 | 0 | 0 | 113.6 | M969 N970 | P966-M969 WeakPolarHBondContact O-CB 3.42Å; P966-M969 PolarHBondContact O-N 3.27Å; P966-N970 WeakPolarHBondContact O-CB 3.23Å; P966-N970 PolarHBondContact O-N 2.95Å; P966-N970 PolarHBondContact O-ND2 2.83Å; P966-N970 VanDerWaalsContact O-ND2 3.09Å; P966-N970 PolarHBondContact O-OD1 3.36Å |
| 967 | D | 83.3 | Confident | 84.9 | Confident | 111 Ų | 111 | 54.8 Ų | 54.8 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.2 | -38.9 | -177.1 | -60.3 | -35.2 | 0 | 0 | 0 | 111.6 | D965 N970 | D965-D967 VanDerWaalsContact C-N 3.27Å; D965-D967 PolarHBondContact O-N 2.86Å; D967-N970 PolarHBondContact O-N 2.76Å |
| 968 | A | 84.9 | Confident | 84.1 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D965 L971 W1020 | D965-A968 PolarHBondContact O-N 2.96Å; D965-A968 WeakPolarHBondContact OD1-CB 3.35Å; D965-A968 PolarHBondContact OD1-N 2.82Å; D965-A968 WeakPolarHBondContact OD2-CB 3.41Å; A968-L971 PolarHBondContact O-N 3.23Å; A968-W1020 HydrophobicContact CB-CH2 3.6Å; A968-W1020 HydrophobicContact CB-CZ2 3.84Å |
| 969 | M | 86.3 | Confident | 83.2 | Confident | 46 Ų | 46 | 56.8 Ų | 56.8 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.5 | -173.6 | 64.6 | 67.2 | 0 | 0 | 112.3 | S964 D965 P966 L971 W972 I973 P1100 A1103 | S964-M969 WeakPolarHBondContact OG-CE 3.44Å; D965-M969 PolarHBondContact O-N 2.97Å; P966-M969 WeakPolarHBondContact O-CB 3.42Å; P966-M969 PolarHBondContact O-N 3.27Å; M969-L971 PolarHBondContact O-N 3.22Å; M969-W972 PolarHBondContact O-N 2.65Å; M969-I973 HydrophobicContact CG-CD1 4.31Å; M969-I973 HydrophobicContact CG-CG2 4.35Å; M969-I973 PolarHBondContact O-N 2.76Å; M969-I973 HydrophobicContact SD-CG2 4.15Å; M969-P1100 HydrophobicContact CE-CB 3.8Å; M969-P1100 HydrophobicContact CE-CG 3.99Å; M969-P1100 HydrophobicContact SD-CB 4.37Å; M969-P1100 HydrophobicContact SD-CG 3.89Å; M969-A1103 HydrophobicContact SD-CB 4.16Å |
| 970 | N | 86.8 | Confident | 82.4 | Confident | 89 Ų | 89 | 64.8 Ų | 64.8 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.3 | -27 | -178.9 | -71.5 | -28.9 | 0 | 0 | 0 | 113.6 | P966 D967 W972 | P966-N970 WeakPolarHBondContact O-CB 3.23Å; P966-N970 PolarHBondContact O-N 2.95Å; P966-N970 PolarHBondContact O-ND2 2.83Å; P966-N970 VanDerWaalsContact O-ND2 3.09Å; P966-N970 PolarHBondContact O-OD1 3.36Å; D967-N970 PolarHBondContact O-N 2.76Å; N970-W972 VanDerWaalsContact C-N 3.28Å; N970-W972 PolarHBondContact O-N 2.67Å |
| 971 | L | 87.4 | Confident | 81.7 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 174.7 | -177.6 | 62 | 0 | 0 | 0 | 112.1 | A968 M969 P1528 Y1530 F1531 K1745 | A968-L971 PolarHBondContact O-N 3.23Å; M969-L971 PolarHBondContact O-N 3.22Å; L971-P1528 HydrophobicContact CD1-CB 4.02Å; L971-P1528 HydrophobicContact CD1-CG 4.12Å; L971-Y1530 HydrophobicContact CD1-CG 4.36Å; L971-Y1530 HydrophobicContact CD2-CD1 3.71Å; L971-Y1530 HydrophobicContact CD2-CE1 4.2Å; L971-Y1530 HydrophobicContact CD2-CG 3.99Å; L971-F1531 HydrophobicContact CD1-CE2 4.16Å; L971-F1531 HydrophobicContact CD2-CE2 3.98Å; L971-F1531 HydrophobicContact CD2-CZ 4.05Å; L971-F1531 HydrophobicContact CG-CE2 4.21Å; L971-K1745 PolarHBondContact O-NZ 2.71Å |
| 972 | W | 91.1 | Very high | 81.8 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.015 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -99.7 | -23.3 | -168.7 | -61.3 | 98 | 0 | 0 | 0 | 114.5 | M969 N970 A1023 I1098 I1099 P1100 A1103 I1107 F1531 Y1741 K1745 | M969-W972 PolarHBondContact O-N 2.65Å; N970-W972 VanDerWaalsContact C-N 3.28Å; N970-W972 PolarHBondContact O-N 2.67Å; W972-A1023 HydrophobicContact CZ2-CB 4.34Å; W972-I1098 HydrophobicContact CH2-CG2 4.25Å; W972-I1098 HydrophobicContact CZ2-CG2 3.9Å; W972-I1099 HydrophobicContact CB-CG2 4.28Å; W972-I1099 HydrophobicContact CD2-CB 4.44Å; W972-I1099 HydrophobicContact CD2-CG1 4.19Å; W972-I1099 HydrophobicContact CD2-CG2 4.16Å; W972-I1099 HydrophobicContact CE3-CB 4.41Å; W972-I1099 HydrophobicContact CE3-CD1 4.21Å; W972-I1099 HydrophobicContact CE3-CG1 3.73Å; W972-I1099 HydrophobicContact CE3-CG2 4.2Å; W972-I1099 HydrophobicContact CG-CG2 4.22Å; W972-I1099 HydrophobicContact CH2-CG1 3.98Å; W972-I1099 HydrophobicContact CZ2-CG1 4.42Å; W972-I1099 HydrophobicContact CZ3-CD1 4.08Å; W972-I1099 HydrophobicContact CZ3-CG1 3.63Å; W972-P1100 HydrophobicContact CG-CG 4.27Å; W972-A1103 HydrophobicContact CB-CB 4.22Å; W972-I1107 WeakPolarHBondContact O-CD1 3.48Å; W972-F1531 AromaticContact CH2-CE1 3.88Å; W972-F1531 HydrophobicContact CH2-CE1 3.88Å; W972-F1531 AromaticContact CH2-CZ 3.55Å; W972-F1531 HydrophobicContact CH2-CZ 3.55Å; W972-F1531 HydrophobicContact CZ2-CE1 4.18Å; W972-F1531 AromaticContact CZ2-CZ 3.73Å; W972-F1531 HydrophobicContact CZ2-CZ 3.73Å; W972-F1531 HydrophobicContact CZ3-CZ 4.12Å; W972-Y1741 HydrophobicContact CB-CE1 4.47Å; W972-Y1741 HydrophobicContact CE3-CD1 4.07Å; W972-Y1741 AromaticContact CE3-CE1 3.63Å; W972-Y1741 HydrophobicContact CE3-CE1 3.63Å; W972-Y1741 AromaticContact CE3-CZ 3.89Å; W972-Y1741 HydrophobicContact CZ3-CD1 4.38Å; W972-Y1741 HydrophobicContact CZ3-CE1 4.37Å; W972-Y1741 WeakPolarHBondContact O-CE1 3.29Å; W972-Y1741 PolarHBondContact O-OH 2.69Å; W972-K1745 WeakPolarHBondContact O-CD 3.42Å |
| 973 | I | 90.7 | Very high | 82.2 | Confident | 54 Ų | 54 | 62 Ų | 62 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -91 | 155.1 | 174.9 | 64.3 | 177.4 | 0 | 0 | 0 | 111.8 | M969 A1103 | M969-I973 HydrophobicContact CG-CD1 4.31Å; M969-I973 HydrophobicContact CG-CG2 4.35Å; M969-I973 PolarHBondContact O-N 2.76Å; M969-I973 HydrophobicContact SD-CG2 4.15Å; I973-A1103 HydrophobicContact CG2-CB 4Å |
| 974 | P | 88.8 | Confident | 82.6 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 136.5 | 175 | -21.8 | 34.9 | 0 | 0 | 0 | 112.3 | I1107 M1110 K1745 | P974-I1107 HydrophobicContact CG-CD1 4.31Å; P974-I1107 HydrophobicContact CG-CG1 4.42Å; P974-M1110 HydrophobicContact CG-CE 3.7Å; P974-K1745 HydrophobicContact CB-CG 4.21Å; P974-K1745 HydrophobicContact CG-CG 3.73Å; P974-K1745 WeakPolarHBondContact CG-O 3.49Å |
| 975 | S | 79.1 | Confident | 83.1 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 47% | 0.469 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 158.6 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | S977 | S975-S977 WeakPolarHBondContact CB-OG 3.17Š|
| 976 | S | 72.2 | Confident | 83.6 | Confident | 133 Ų | 133 | 62.7 Ų | 62.7 | 93% | 0.93 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -81.6 | -17.1 | 170.4 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 977 | S | 71.1 | Confident | 84.1 | Confident | 75 Ų | 75 | 58.2 Ų | 58.2 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -75.9 | 155.4 | 164.3 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | S975 | S975-S977 WeakPolarHBondContact CB-OG 3.17Š|
| 978 | L | 75.3 | Confident | 84.6 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 144.4 | 163 | -71.1 | 163.3 | 0 | 0 | 0 | 109.1 | T1750 A1753 | L978-T1750 HydrophobicContact CD2-CG2 3.88Å; L978-A1753 HydrophobicContact CD2-CB 3.63Å; L978-A1753 HydrophobicContact CG-CB 4.19Å |
| 979 | A | 74.5 | Confident | 85.1 | Confident | 21 Ų | 21 | 56 Ų | 56 | 17% | 0.174 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 141.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | I982 D1746 T1750 | A979-I982 HydrophobicContact CB-CG2 3.81Å; A979-D1746 HydrophobicContact CB-CB 3.8Å; A979-T1750 PolarHBondContact N-OG1 3.2Å |
| 980 | E | 73 | Confident | 85.5 | Confident | 181 Ų | 181 | 53.8 Ų | 53.8 | 85% | 0.846 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 147 | -177.4 | -67.6 | 173.6 | 175 | 0 | 0 | 110.7 | I982 R1526 | E980-I982 VanDerWaalsContact C-N 3.26Å; E980-I982 PolarHBondContact O-N 3.06Å; E980-R1526 PolarHBondContact O-NH1 2.88Å |
| 981 | G | 75.8 | Confident | 85.9 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 57% | 0.567 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 22.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116 | R1520 R1526 | G981-R1520 WeakPolarHBondContact O-CB 3.48Å; G981-R1526 PolarHBondContact O-NH2 3.25Å |
| 982 | I | 85 | Confident | 86.2 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | trans | -133.3 | 129.1 | 172.2 | -156.6 | 178.4 | 0 | 0 | 0 | 111.7 | A979 E980 T986 S987 I990 A1747 T1750 | A979-I982 HydrophobicContact CB-CG2 3.81Å; E980-I982 VanDerWaalsContact C-N 3.26Å; E980-I982 PolarHBondContact O-N 3.06Å; I982-T986 HydrophobicContact CD1-CG2 4.41Å; I982-T986 HydrophobicContact CG1-CG2 3.76Å; I982-S987 WeakPolarHBondContact CD1-OG 3.37Å; I982-I990 HydrophobicContact CD1-CD1 3.92Å; I982-A1747 HydrophobicContact CD1-CB 4.19Å; I982-T1750 HydrophobicContact CG2-CG2 4.14Å; I982-T1750 VanDerWaalsContact CG2-OG1 3.28Å; I982-T1750 WeakPolarHBondContact CG2-OG1 3.26Å | ||
| 983 | D | 89.6 | Confident | 86.3 | Confident | 66 Ų | 66 | 51.9 Ų | 51.9 | 35% | 0.353 | 31% | 0.307 | S | S | . | . | trans | -102.5 | -179.9 | 174.1 | 65.6 | 35.4 | 0 | 0 | 0 | 112.3 | E985 T986 S987 R1520 | D983-E985 PolarHBondContact O-N 3.2Å; D983-E985 PolarHBondContact OD1-N 2.84Å; D983-E985 VanDerWaalsContact OD1-N 3.13Å; D983-T986 VanDerWaalsContact CG-OG1 3.27Å; D983-T986 VanDerWaalsContact OD1-CB 3.29Å; D983-T986 WeakPolarHBondContact OD1-CB 3.21Å; D983-T986 PolarHBondContact OD1-N 2.71Å; D983-T986 PolarHBondContact OD1-OG1 3.1Å; D983-T986 PolarHBondContact OD2-OG1 3.5Å; D983-S987 VanDerWaalsContact O-CB 3.32Å; D983-S987 WeakPolarHBondContact O-CB 3.21Å; D983-S987 PolarHBondContact O-N 2.92Å; D983-S987 PolarHBondContact O-OG 3.43Å; D983-R1520 IonicContact OD1-NH1 3.65Å; D983-R1520 IonicContact OD2-CZ 2.75Å; D983-R1520 IonicContact OD2-NH1 3.83Å; D983-R1520 PolarHBondContact OD2-NH1 3.25Å; D983-R1520 IonicContact OD2-NH2 3.88Å | ||
| 984 | L | 91.6 | Very high | 86.5 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -42.3 | -177 | -179 | 68.6 | 0 | 0 | 0 | 112.6 | S987 K988 W1118 L1751 H1754 | L984-S987 PolarHBondContact O-N 2.88Å; L984-K988 WeakPolarHBondContact O-CG 3.37Å; L984-K988 PolarHBondContact O-N 3.33Å; L984-K988 VanDerWaalsContact O-N 3.11Å; L984-W1118 HydrophobicContact CD1-CE3 4.4Å; L984-W1118 HydrophobicContact CD1-CH2 3.43Å; L984-W1118 VanDerWaalsContact CD1-CH2 3.43Å; L984-W1118 HydrophobicContact CD1-CZ2 3.85Å; L984-W1118 HydrophobicContact CD1-CZ3 3.76Å; L984-W1118 HydrophobicContact CD2-CH2 4.08Å; L984-W1118 HydrophobicContact CD2-CZ3 3.99Å; L984-W1118 HydrophobicContact CG-CH2 4.34Å; L984-W1118 HydrophobicContact CG-CZ3 4.31Å; L984-L1751 HydrophobicContact CD1-CD2 3.59Å; L984-H1754 HydrophobicContact CD1-CB 3.83Å |
| 985 | E | 92 | Very high | 86.8 | Confident | 110 Ų | 110 | 48 Ų | 48 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -79.8 | -39.2 | -174.6 | -161.8 | 58 | -142 | 0 | 0 | 111.3 | D983 S987 K988 Y989 | D983-E985 PolarHBondContact O-N 3.2Å; D983-E985 PolarHBondContact OD1-N 2.84Å; D983-E985 VanDerWaalsContact OD1-N 3.13Å; E985-S987 VanDerWaalsContact C-N 3.25Å; E985-S987 PolarHBondContact O-N 3.43Å; E985-K988 PolarHBondContact O-N 3.12Å; E985-K988 WeakPolarHBondContact OE2-CE 3.35Å; E985-K988 IonicContact OE2-NZ 2.95Å; E985-K988 PolarHBondContact OE2-NZ 3.35Å; E985-Y989 WeakPolarHBondContact O-CB 3.49Å; E985-Y989 PolarHBondContact O-N 2.99Å |
| 986 | T | 93 | Very high | 87.5 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.8 | -42.1 | 169.6 | -47.6 | 0 | 0 | 0 | 0 | 110.4 | I982 D983 Y989 I990 R1520 L1521 | I982-T986 HydrophobicContact CD1-CG2 4.41Å; I982-T986 HydrophobicContact CG1-CG2 3.76Å; D983-T986 VanDerWaalsContact CG-OG1 3.27Å; D983-T986 VanDerWaalsContact OD1-CB 3.29Å; D983-T986 WeakPolarHBondContact OD1-CB 3.21Å; D983-T986 PolarHBondContact OD1-N 2.71Å; D983-T986 PolarHBondContact OD1-OG1 3.1Å; D983-T986 PolarHBondContact OD2-OG1 3.5Å; T986-Y989 PolarHBondContact O-N 3.12Å; T986-I990 HydrophobicContact CG2-CD1 4.18Å; T986-I990 WeakPolarHBondContact O-CG1 3.22Å; T986-I990 PolarHBondContact O-N 3.43Å; T986-R1520 HydrophobicContact CG2-CB 4.47Å; T986-R1520 PolarHBondContact OG1-NH1 2.93Å; T986-L1521 HydrophobicContact CG2-CD2 3.83Å; T986-L1521 HydrophobicContact CG2-CG 4.39Å |
| 987 | S | 94 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.8 | -58 | 0 | 0 | 0 | 0 | 112.9 | I982 D983 L984 E985 Y989 L991 T1750 | I982-S987 WeakPolarHBondContact CD1-OG 3.37Å; D983-S987 VanDerWaalsContact O-CB 3.32Å; D983-S987 WeakPolarHBondContact O-CB 3.21Å; D983-S987 PolarHBondContact O-N 2.92Å; D983-S987 PolarHBondContact O-OG 3.43Å; L984-S987 PolarHBondContact O-N 2.88Å; E985-S987 VanDerWaalsContact C-N 3.25Å; E985-S987 PolarHBondContact O-N 3.43Å; S987-Y989 VanDerWaalsContact C-N 3.34Å; S987-L991 PolarHBondContact O-N 3.15Å; S987-L991 VanDerWaalsContact O-N 3.11Å; S987-T1750 VanDerWaalsContact OG-CG2 3.27Å; S987-T1750 WeakPolarHBondContact OG-CG2 3.27Å |
| 988 | K | 94.8 | Very high | 89.6 | Confident | 50 Ų | 50 | 36.3 Ų | 36.3 | 22% | 0.217 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 172.9 | -67.2 | 177.1 | -155.1 | 159.7 | 0 | 111.4 | L984 E985 L991 A992 I1120 L1751 | L984-K988 WeakPolarHBondContact O-CG 3.37Å; L984-K988 PolarHBondContact O-N 3.33Å; L984-K988 VanDerWaalsContact O-N 3.11Å; E985-K988 PolarHBondContact O-N 3.12Å; E985-K988 WeakPolarHBondContact OE2-CE 3.35Å; E985-K988 IonicContact OE2-NZ 2.95Å; E985-K988 PolarHBondContact OE2-NZ 3.35Å; K988-L991 CarbonylContact O-C 3.5Å; K988-L991 PolarHBondContact O-N 2.98Å; K988-A992 WeakPolarHBondContact O-CB 3.14Å; K988-A992 PolarHBondContact O-N 3.23Å; K988-I1120 HydrophobicContact CB-CD1 4.08Å; K988-I1120 HydrophobicContact CB-CG1 4.44Å; K988-I1120 HydrophobicContact CG-CD1 4.13Å; K988-I1120 HydrophobicContact CG-CG1 4.49Å; K988-L1751 HydrophobicContact CG-CD2 4.17Å |
| 989 | Y | 94.3 | Very high | 90.5 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 9% | 0.09 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.7 | -41.5 | -176.8 | -170.6 | -123.2 | 0 | 0 | 0 | 112.4 | E985 T986 S987 A992 N993 R1406 L1521 E1708 | E985-Y989 WeakPolarHBondContact O-CB 3.49Å; E985-Y989 PolarHBondContact O-N 2.99Å; T986-Y989 PolarHBondContact O-N 3.12Å; S987-Y989 VanDerWaalsContact C-N 3.34Å; Y989-A992 WeakPolarHBondContact O-CB 3.19Å; Y989-A992 PolarHBondContact O-N 3.27Å; Y989-N993 WeakPolarHBondContact CD2-ND2 3.35Å; Y989-N993 WeakPolarHBondContact CE2-ND2 3.35Å; Y989-N993 VanDerWaalsContact CZ-ND2 3.28Å; Y989-N993 PolarHBondContact O-N 2.99Å; Y989-N993 PolarHBondContact O-ND2 2.86Å; Y989-R1406 VanDerWaalsContact CE2-CZ 3.45Å; Y989-R1406 PolarHBondContact OH-NE 2.92Å; Y989-R1406 VanDerWaalsContact OH-NE 3.13Å; Y989-L1521 HydrophobicContact CD1-CD2 3.97Å; Y989-E1708 VanDerWaalsContact CE1-OE1 3.28Å; Y989-E1708 WeakPolarHBondContact CE1-OE1 3.35Å; Y989-E1708 VanDerWaalsContact CZ-OE1 3.3Å; Y989-E1708 PolarHBondContact OH-OE1 2.87Å |
| 990 | I | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 172.7 | -72.8 | 175.3 | 0 | 0 | 0 | 110.5 | I982 T986 A992 N993 V994 L1523 P1707 A1743 A1747 | I982-I990 HydrophobicContact CD1-CD1 3.92Å; T986-I990 HydrophobicContact CG2-CD1 4.18Å; T986-I990 WeakPolarHBondContact O-CG1 3.22Å; T986-I990 PolarHBondContact O-N 3.43Å; I990-A992 VanDerWaalsContact C-N 3.3Å; I990-A992 PolarHBondContact O-N 3.41Å; I990-N993 PolarHBondContact O-N 3.34Å; I990-V994 HydrophobicContact CG2-CB 4.35Å; I990-V994 HydrophobicContact CG2-CG2 3.96Å; I990-V994 WeakPolarHBondContact O-CA 3.42Å; I990-V994 WeakPolarHBondContact O-CB 3.43Å; I990-V994 VanDerWaalsContact O-CG2 3.29Å; I990-V994 WeakPolarHBondContact O-CG2 3.28Å; I990-V994 PolarHBondContact O-N 3.01Å; I990-L1523 HydrophobicContact CD1-CD2 3.83Å; I990-L1523 HydrophobicContact CG1-CD2 4.13Å; I990-P1707 HydrophobicContact CG1-CG 4.06Å; I990-A1743 HydrophobicContact CG2-CB 4.25Å; I990-A1747 HydrophobicContact CB-CB 4.37Å; I990-A1747 HydrophobicContact CG2-CB 4.05Å |
| 991 | L | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.5 | -20.2 | 175.6 | -66.5 | -166.1 | 0 | 0 | 0 | 114.8 | S987 K988 A1114 R1115 I1120 V1744 A1747 V1748 L1751 | S987-L991 PolarHBondContact O-N 3.15Å; S987-L991 VanDerWaalsContact O-N 3.11Å; K988-L991 CarbonylContact O-C 3.5Å; K988-L991 PolarHBondContact O-N 2.98Å; L991-A1114 HydrophobicContact CD1-CB 4.19Å; L991-R1115 VanDerWaalsContact O-CZ 3.28Å; L991-R1115 PolarHBondContact O-NE 3.29Å; L991-R1115 PolarHBondContact O-NH2 3.05Å; L991-I1120 HydrophobicContact CB-CD1 4.05Å; L991-I1120 HydrophobicContact CD1-CD1 4.49Å; L991-V1744 HydrophobicContact CD2-CB 4.27Å; L991-V1744 HydrophobicContact CD2-CG1 3.91Å; L991-V1744 HydrophobicContact CD2-CG2 4.05Å; L991-A1747 HydrophobicContact CD2-CB 3.96Å; L991-A1747 HydrophobicContact CG-CB 3.97Å; L991-V1748 HydrophobicContact CD1-CG2 3.76Å; L991-V1748 HydrophobicContact CD2-CG2 4.09Å; L991-L1751 HydrophobicContact CD1-CD1 3.55Å; L991-L1751 HydrophobicContact CG-CD1 4.49Å |
| 992 | A | 94.5 | Very high | 93.1 | Very high | 36 Ų | 36 | 25.7 Ų | 25.7 | 30% | 0.298 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -68.8 | -53 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K988 Y989 I990 R1115 I1120 | K988-A992 WeakPolarHBondContact O-CB 3.14Å; K988-A992 PolarHBondContact O-N 3.23Å; Y989-A992 WeakPolarHBondContact O-CB 3.19Å; Y989-A992 PolarHBondContact O-N 3.27Å; I990-A992 VanDerWaalsContact C-N 3.3Å; I990-A992 PolarHBondContact O-N 3.41Å; A992-R1115 PolarHBondContact O-NH2 3.37Å; A992-I1120 HydrophobicContact CB-CG2 3.94Å |
| 993 | N | 94.1 | Very high | 93.4 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 26% | 0.257 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -84.3 | -50.8 | -175.6 | -53.8 | -69.6 | 0 | 0 | 0 | 113 | Y989 I990 P1707 | Y989-N993 WeakPolarHBondContact CD2-ND2 3.35Å; Y989-N993 WeakPolarHBondContact CE2-ND2 3.35Å; Y989-N993 VanDerWaalsContact CZ-ND2 3.28Å; Y989-N993 PolarHBondContact O-N 2.99Å; Y989-N993 PolarHBondContact O-ND2 2.86Å; I990-N993 PolarHBondContact O-N 3.34Å; N993-P1707 HydrophobicContact CB-CB 4.18Å; N993-P1707 WeakPolarHBondContact CB-O 3.44Å |
| 994 | V | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -32.1 | -171.4 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | I990 D996 Q997 F998 L1523 P1707 V1710 I1740 V1744 | I990-V994 HydrophobicContact CG2-CB 4.35Å; I990-V994 HydrophobicContact CG2-CG2 3.96Å; I990-V994 WeakPolarHBondContact O-CA 3.42Å; I990-V994 WeakPolarHBondContact O-CB 3.43Å; I990-V994 VanDerWaalsContact O-CG2 3.29Å; I990-V994 WeakPolarHBondContact O-CG2 3.28Å; I990-V994 PolarHBondContact O-N 3.01Å; V994-D996 VanDerWaalsContact C-N 3.25Å; V994-D996 PolarHBondContact O-N 3.34Å; V994-D996 VanDerWaalsContact O-N 3.13Å; V994-Q997 PolarHBondContact O-N 2.91Å; V994-F998 PolarHBondContact O-N 3Å; V994-F998 VanDerWaalsContact O-N 3.11Å; V994-L1523 HydrophobicContact CG2-CD1 3.72Å; V994-P1707 HydrophobicContact CG2-CB 4.11Å; V994-V1710 HydrophobicContact CB-CG1 4.44Å; V994-V1710 HydrophobicContact CG1-CG1 4.31Å; V994-V1710 HydrophobicContact CG2-CG1 4.13Å; V994-I1740 HydrophobicContact CG1-CB 4.34Å; V994-I1740 HydrophobicContact CG1-CG1 4.18Å; V994-I1740 HydrophobicContact CG1-CG2 4.01Å; V994-V1744 HydrophobicContact CB-CG2 4.24Å; V994-V1744 HydrophobicContact CG1-CG2 3.87Å |
| 995 | G | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.1 | -26 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | C999 | G995-C999 PolarHBondContact O-N 2.87Å; G995-C999 PolarHBondContact O-SG 3.48Å |
| 996 | D | 93.2 | Very high | 93.5 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 9% | 0.086 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.3 | -34.5 | 175.1 | -75.4 | -13.6 | 0 | 0 | 0 | 112 | V994 C999 Q1000 R1115 N1123 C1124 | V994-D996 VanDerWaalsContact C-N 3.25Å; V994-D996 PolarHBondContact O-N 3.34Å; V994-D996 VanDerWaalsContact O-N 3.13Å; D996-C999 PolarHBondContact O-N 2.84Å; D996-Q1000 PolarHBondContact O-N 2.96Å; D996-R1115 IonicContact OD1-CZ 2.89Å; D996-R1115 VanDerWaalsContact OD1-CZ 3.27Å; D996-R1115 IonicContact OD1-NH1 2.67Å; D996-R1115 PolarHBondContact OD1-NH1 3.48Å; D996-R1115 IonicContact OD1-NH2 3.88Å; D996-R1115 PolarHBondContact OD1-NH2 2.77Å; D996-R1115 IonicContact OD2-NH2 3.39Å; D996-N1123 PolarHBondContact OD1-N 3Å; D996-N1123 VanDerWaalsContact OD1-N 3.13Å; D996-N1123 WeakPolarHBondContact OD2-CA 3.45Å; D996-N1123 VanDerWaalsContact OD2-CB 3.25Å; D996-N1123 WeakPolarHBondContact OD2-CB 3.44Å; D996-N1123 PolarHBondContact OD2-N 3.34Å; D996-N1123 PolarHBondContact OD2-ND2 3.28Å; D996-C1124 HydrophobicContact CB-CB 4.39Å; D996-C1124 WeakPolarHBondContact OD1-CB 3.41Å; D996-C1124 PolarHBondContact OD1-N 3.19Å |
| 997 | Q | 92.2 | Very high | 93.4 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69 | -40.3 | 174 | -52 | -50 | -63.8 | 0 | 0 | 110.8 | V994 C999 Q1000 L1001 V1710 K1711 I1740 | V994-Q997 PolarHBondContact O-N 2.91Å; Q997-C999 VanDerWaalsContact C-N 3.29Å; Q997-C999 PolarHBondContact O-N 2.85Å; Q997-Q1000 WeakPolarHBondContact O-CB 3.46Å; Q997-Q1000 PolarHBondContact O-N 2.91Å; Q997-L1001 PolarHBondContact O-N 3.01Å; Q997-V1710 HydrophobicContact CG-CG1 4.28Å; Q997-K1711 HydrophobicContact CG-CB 4.35Å; Q997-I1740 HydrophobicContact CB-CD1 4.16Å |
| 998 | F | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -40.4 | 172.7 | -178.5 | -87.9 | 0 | 0 | 0 | 112.2 | V994 Q1000 L1001 V1002 L1104 I1107 V1111 I1740 Y1741 V1744 | V994-F998 PolarHBondContact O-N 3Å; V994-F998 VanDerWaalsContact O-N 3.11Å; F998-Q1000 VanDerWaalsContact C-N 3.3Å; F998-Q1000 PolarHBondContact O-N 3.17Å; F998-L1001 WeakPolarHBondContact O-CB 3.24Å; F998-L1001 PolarHBondContact O-N 2.75Å; F998-V1002 HydrophobicContact CD1-CG2 3.92Å; F998-V1002 HydrophobicContact CE1-CG2 3.44Å; F998-V1002 VanDerWaalsContact CE1-CG2 3.44Å; F998-V1002 HydrophobicContact CZ-CG2 3.87Å; F998-V1002 WeakPolarHBondContact O-CG2 3.34Å; F998-V1002 PolarHBondContact O-N 3.4Å; F998-L1104 HydrophobicContact CE2-CD1 4.3Å; F998-L1104 HydrophobicContact CZ-CD1 4.06Å; F998-I1107 HydrophobicContact CE1-CB 4.43Å; F998-I1107 HydrophobicContact CE1-CG2 3.84Å; F998-I1107 HydrophobicContact CE2-CG2 4.12Å; F998-I1107 HydrophobicContact CZ-CB 3.9Å; F998-I1107 HydrophobicContact CZ-CG2 3.41Å; F998-I1107 VanDerWaalsContact CZ-CG2 3.41Å; F998-V1111 HydrophobicContact CD1-CG2 4.11Å; F998-V1111 HydrophobicContact CE1-CG2 4.15Å; F998-I1740 HydrophobicContact CB-CG2 3.84Å; F998-I1740 HydrophobicContact CD2-CG2 4.22Å; F998-Y1741 AromaticContact CE2-CD2 3.71Å; F998-Y1741 HydrophobicContact CE2-CD2 3.71Å; F998-Y1741 HydrophobicContact CE2-CE2 4.27Å; F998-Y1741 HydrophobicContact CE2-CG 4.27Å; F998-Y1741 HydrophobicContact CZ-CD2 4.4Å; F998-V1744 HydrophobicContact CB-CB 4.49Å; F998-V1744 HydrophobicContact CB-CG1 4.38Å; F998-V1744 HydrophobicContact CB-CG2 3.94Å; F998-V1744 HydrophobicContact CD1-CG1 4.07Å; F998-V1744 HydrophobicContact CD2-CB 3.92Å; F998-V1744 HydrophobicContact CD2-CG1 3.88Å; F998-V1744 HydrophobicContact CD2-CG2 4.22Å; F998-V1744 HydrophobicContact CE1-CG1 4.36Å; F998-V1744 HydrophobicContact CE2-CB 4.42Å; F998-V1744 HydrophobicContact CE2-CG1 4.19Å; F998-V1744 HydrophobicContact CG-CB 4.18Å; F998-V1744 HydrophobicContact CG-CG1 3.83Å; F998-V1744 HydrophobicContact CG-CG2 4.18Å; F998-V1744 HydrophobicContact CZ-CG1 4.44Å |
| 999 | C | 95 | Very high | 93 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.3 | -34.7 | 174.7 | -67.3 | 0 | 0 | 0 | 0 | 112.7 | G995 D996 Q997 V1002 M1003 H1112 C1124 | G995-C999 PolarHBondContact O-N 2.87Å; G995-C999 PolarHBondContact O-SG 3.48Å; D996-C999 PolarHBondContact O-N 2.84Å; Q997-C999 VanDerWaalsContact C-N 3.29Å; Q997-C999 PolarHBondContact O-N 2.85Å; C999-V1002 PolarHBondContact O-N 3.23Å; C999-M1003 WeakPolarHBondContact O-CG 3.36Å; C999-M1003 PolarHBondContact O-N 2.74Å; C999-H1112 VanDerWaalsContact SG-CE1 3.58Å; C999-C1124 HydrophobicContact CB-CB 3.45Å; C999-C1124 VanDerWaalsContact CB-CB 3.45Å |
| 1000 | Q | 91.3 | Very high | 92.7 | Very high | 83 Ų | 83 | 33.5 Ų | 33.5 | 39% | 0.388 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 173.8 | -65.8 | 177.3 | 2.8 | 0 | 0 | 111.7 | D996 Q997 F998 M1003 S1004 | D996-Q1000 PolarHBondContact O-N 2.96Å; Q997-Q1000 WeakPolarHBondContact O-CB 3.46Å; Q997-Q1000 PolarHBondContact O-N 2.91Å; F998-Q1000 VanDerWaalsContact C-N 3.3Å; F998-Q1000 PolarHBondContact O-N 3.17Å; Q1000-M1003 PolarHBondContact O-N 3.31Å; Q1000-S1004 PolarHBondContact O-N 2.93Å |
| 1001 | L | 91.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -48.7 | 172.9 | -65.2 | 177.7 | 0 | 0 | 0 | 111.5 | Q997 F998 M1003 S1004 E1005 F1039 F1714 K1737 I1740 | Q997-L1001 PolarHBondContact O-N 3.01Å; F998-L1001 WeakPolarHBondContact O-CB 3.24Å; F998-L1001 PolarHBondContact O-N 2.75Å; L1001-M1003 PolarHBondContact O-N 2.97Å; L1001-S1004 PolarHBondContact O-N 3.32Å; L1001-E1005 WeakPolarHBondContact O-CB 3.41Å; L1001-E1005 VanDerWaalsContact O-CG 3.29Å; L1001-E1005 WeakPolarHBondContact O-CG 3.5Å; L1001-E1005 PolarHBondContact O-N 3.18Å; L1001-F1039 HydrophobicContact CB-CE1 4.25Å; L1001-F1039 HydrophobicContact CD1-CE1 4.42Å; L1001-F1039 HydrophobicContact CD1-CZ 4.2Å; L1001-F1714 HydrophobicContact CD2-CE2 3.67Å; L1001-F1714 HydrophobicContact CD2-CZ 3.78Å; L1001-K1737 HydrophobicContact CD1-CB 4.37Å; L1001-K1737 HydrophobicContact CD2-CB 4.35Å; L1001-K1737 HydrophobicContact CD2-CD 4.06Å; L1001-K1737 HydrophobicContact CD2-CG 3.91Å; L1001-I1740 HydrophobicContact CD1-CB 4.02Å; L1001-I1740 HydrophobicContact CD1-CD1 4.42Å; L1001-I1740 HydrophobicContact CD1-CG2 3.63Å |
| 1002 | V | 94.2 | Very high | 92.1 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 12% | 0.115 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -34.2 | 177.7 | 175.2 | 0 | 0 | 0 | 0 | 112 | F998 C999 K1006 L1104 Y1105 | F998-V1002 HydrophobicContact CD1-CG2 3.92Å; F998-V1002 HydrophobicContact CE1-CG2 3.44Å; F998-V1002 VanDerWaalsContact CE1-CG2 3.44Å; F998-V1002 HydrophobicContact CZ-CG2 3.87Å; F998-V1002 WeakPolarHBondContact O-CG2 3.34Å; F998-V1002 PolarHBondContact O-N 3.4Å; C999-V1002 PolarHBondContact O-N 3.23Å; V1002-K1006 VanDerWaalsContact O-CB 3.31Å; V1002-K1006 WeakPolarHBondContact O-CB 3.41Å; V1002-K1006 PolarHBondContact O-N 3.42Å; V1002-K1006 VanDerWaalsContact O-N 3.13Å; V1002-L1104 HydrophobicContact CG2-CD1 3.8Å; V1002-L1104 HydrophobicContact CG2-CG 4.09Å; V1002-Y1105 HydrophobicContact CG1-CD1 3.97Å; V1002-Y1105 HydrophobicContact CG1-CE1 4.33Å |
| 1003 | M | 91.9 | Very high | 91.7 | Very high | 50 Ų | 50 | 41 Ų | 41 | 25% | 0.246 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.8 | -47.5 | 175.4 | -75.8 | -178.8 | 54.4 | 0 | 0 | 112.5 | C999 Q1000 L1001 E1005 K1006 E1007 P1125 | C999-M1003 WeakPolarHBondContact O-CG 3.36Å; C999-M1003 PolarHBondContact O-N 2.74Å; Q1000-M1003 PolarHBondContact O-N 3.31Å; L1001-M1003 PolarHBondContact O-N 2.97Å; M1003-E1005 VanDerWaalsContact C-N 3.32Å; M1003-E1005 PolarHBondContact O-N 2.83Å; M1003-K1006 WeakPolarHBondContact O-CA 3.31Å; M1003-K1006 WeakPolarHBondContact O-CB 3.14Å; M1003-K1006 PolarHBondContact O-N 2.86Å; M1003-K1006 VanDerWaalsContact O-N 3.08Å; M1003-E1007 WeakPolarHBondContact O-CG 3.1Å; M1003-E1007 PolarHBondContact O-N 2.84Å; M1003-P1125 HydrophobicContact CE-CB 3.94Å; M1003-P1125 HydrophobicContact CE-CG 4.21Å; M1003-P1125 HydrophobicContact SD-CB 3.76Å; M1003-P1125 HydrophobicContact SD-CG 3.92Å |
| 1004 | S | 89.4 | Confident | 91.1 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 25% | 0.245 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 178.4 | -168.6 | 0 | 0 | 0 | 0 | 112 | Q1000 L1001 K1006 E1007 A1008 L1054 | Q1000-S1004 PolarHBondContact O-N 2.93Å; L1001-S1004 PolarHBondContact O-N 3.32Å; S1004-K1006 VanDerWaalsContact C-N 3.35Å; S1004-K1006 PolarHBondContact O-N 2.98Å; S1004-E1007 WeakPolarHBondContact O-CB 3.4Å; S1004-E1007 PolarHBondContact O-N 3.5Å; S1004-A1008 PolarHBondContact O-N 2.66Å; S1004-L1054 WeakPolarHBondContact OG-CD2 3.44Å |
| 1005 | E | 92.5 | Very high | 90.5 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.9 | -32 | 173.9 | -72.1 | -72.5 | 148.9 | 0 | 0 | 112.9 | L1001 M1003 A1008 M1009 F1039 N1040 I1041 L1104 Y1105 | L1001-E1005 WeakPolarHBondContact O-CB 3.41Å; L1001-E1005 VanDerWaalsContact O-CG 3.29Å; L1001-E1005 WeakPolarHBondContact O-CG 3.5Å; L1001-E1005 PolarHBondContact O-N 3.18Å; M1003-E1005 VanDerWaalsContact C-N 3.32Å; M1003-E1005 PolarHBondContact O-N 2.83Å; E1005-A1008 WeakPolarHBondContact O-CB 3.43Å; E1005-A1008 PolarHBondContact O-N 2.94Å; E1005-M1009 PolarHBondContact O-N 3.17Å; E1005-F1039 HydrophobicContact CG-CD1 4.09Å; E1005-F1039 HydrophobicContact CG-CE1 4Å; E1005-F1039 WeakPolarHBondContact OE1-CD1 3.49Å; E1005-N1040 VanDerWaalsContact OE2-CB 3.26Å; E1005-N1040 WeakPolarHBondContact OE2-CB 3.36Å; E1005-N1040 PolarHBondContact OE2-ND2 2.99Å; E1005-I1041 PolarHBondContact OE1-N 2.99Å; E1005-I1041 WeakPolarHBondContact OE2-CB 3.24Å; E1005-I1041 WeakPolarHBondContact OE2-CG1 3.33Å; E1005-I1041 PolarHBondContact OE2-N 3.35Å; E1005-L1104 HydrophobicContact CB-CD2 3.61Å; E1005-L1104 HydrophobicContact CG-CD2 3.73Å; E1005-Y1105 PolarHBondContact O-OH 3.3Å |
| 1006 | K | 91.8 | Very high | 90 | Very high | 116 Ų | 116 | 55.3 Ų | 55.3 | 50% | 0.504 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71 | -35.5 | 172.7 | -171 | 164.8 | -174.8 | 161.7 | 0 | 112 | V1002 M1003 S1004 M1009 M1010 Y1105 | V1002-K1006 VanDerWaalsContact O-CB 3.31Å; V1002-K1006 WeakPolarHBondContact O-CB 3.41Å; V1002-K1006 PolarHBondContact O-N 3.42Å; V1002-K1006 VanDerWaalsContact O-N 3.13Å; M1003-K1006 WeakPolarHBondContact O-CA 3.31Å; M1003-K1006 WeakPolarHBondContact O-CB 3.14Å; M1003-K1006 PolarHBondContact O-N 2.86Å; M1003-K1006 VanDerWaalsContact O-N 3.08Å; S1004-K1006 VanDerWaalsContact C-N 3.35Å; S1004-K1006 PolarHBondContact O-N 2.98Å; K1006-M1009 PolarHBondContact O-N 3.39Å; K1006-M1010 WeakPolarHBondContact O-CG 3.38Å; K1006-M1010 PolarHBondContact O-N 3.18Å; K1006-Y1105 HydrophobicContact CB-CE1 4.15Å |
| 1007 | E | 91 | Very high | 89.8 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 170.8 | -70.4 | 163.6 | -164.1 | 0 | 0 | 111.7 | M1003 S1004 M1009 M1010 M1011 R1058 | M1003-E1007 WeakPolarHBondContact O-CG 3.1Å; M1003-E1007 PolarHBondContact O-N 2.84Å; S1004-E1007 WeakPolarHBondContact O-CB 3.4Å; S1004-E1007 PolarHBondContact O-N 3.5Å; E1007-M1009 VanDerWaalsContact C-N 3.34Å; E1007-M1009 PolarHBondContact O-N 2.79Å; E1007-M1010 HydrophobicContact CB-CE 4.32Å; E1007-M1010 HydrophobicContact CG-CE 3.85Å; E1007-M1010 PolarHBondContact O-N 2.97Å; E1007-M1011 PolarHBondContact O-N 2.86Å; E1007-M1011 VanDerWaalsContact O-N 3.14Å; E1007-R1058 IonicContact OE2-NH2 3.58Å; E1007-R1058 PolarHBondContact OE2-NH2 2.73Å |
| 1008 | A | 90.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1004 E1005 M1010 M1011 I1041 W1043 L1054 | S1004-A1008 PolarHBondContact O-N 2.66Å; E1005-A1008 WeakPolarHBondContact O-CB 3.43Å; E1005-A1008 PolarHBondContact O-N 2.94Å; A1008-M1010 VanDerWaalsContact C-N 3.32Å; A1008-M1010 PolarHBondContact O-N 3.05Å; A1008-M1011 PolarHBondContact O-N 2.85Å; A1008-M1011 VanDerWaalsContact O-N 3.17Å; A1008-I1041 HydrophobicContact CB-CB 3.75Å; A1008-I1041 HydrophobicContact CB-CG1 4.31Å; A1008-I1041 HydrophobicContact CB-CG2 3.55Å; A1008-W1043 HydrophobicContact CB-CH2 4.34Å; A1008-L1054 HydrophobicContact CB-CD1 3.49Å; A1008-L1054 VanDerWaalsContact CB-CD1 3.49Å; A1008-L1054 HydrophobicContact CB-CD2 3.99Å; A1008-L1054 HydrophobicContact CB-CG 4.35Å |
| 1009 | M | 89.7 | Confident | 89.7 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 30% | 0.296 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -35.1 | 172.1 | -83.4 | -70.3 | -160.4 | 0 | 0 | 113.5 | E1005 K1006 E1007 M1011 V1012 V1018 I1041 Y1105 | E1005-M1009 PolarHBondContact O-N 3.17Å; K1006-M1009 PolarHBondContact O-N 3.39Å; E1007-M1009 VanDerWaalsContact C-N 3.34Å; E1007-M1009 PolarHBondContact O-N 2.79Å; M1009-M1011 VanDerWaalsContact C-N 3.27Å; M1009-M1011 PolarHBondContact O-N 2.84Å; M1009-V1012 WeakPolarHBondContact O-CB 3.48Å; M1009-V1012 PolarHBondContact O-N 2.92Å; M1009-V1018 HydrophobicContact SD-CG2 4.33Å; M1009-I1041 HydrophobicContact CE-CD1 3.85Å; M1009-I1041 HydrophobicContact CG-CD1 4.24Å; M1009-I1041 HydrophobicContact CG-CG1 4.37Å; M1009-I1041 HydrophobicContact SD-CD1 3.96Å; M1009-Y1105 WeakPolarHBondContact CG-OH 3.11Å |
| 1010 | M | 89.6 | Confident | 89.7 | Confident | 133 Ų | 133 | 64.5 Ų | 64.5 | 66% | 0.655 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -72.6 | -16.7 | 176.6 | -70.7 | -173.7 | -57.1 | 0 | 0 | 113.7 | K1006 E1007 A1008 | K1006-M1010 WeakPolarHBondContact O-CG 3.38Å; K1006-M1010 PolarHBondContact O-N 3.18Å; E1007-M1010 HydrophobicContact CB-CE 4.32Å; E1007-M1010 HydrophobicContact CG-CE 3.85Å; E1007-M1010 PolarHBondContact O-N 2.97Å; A1008-M1010 VanDerWaalsContact C-N 3.32Å; A1008-M1010 PolarHBondContact O-N 3.05Å |
| 1011 | M | 87.3 | Confident | 89.7 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 31% | 0.305 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -3.5 | 173.1 | -65.9 | -172.6 | -63.9 | 0 | 0 | 113.6 | E1007 A1008 M1009 W1043 L1054 R1058 | E1007-M1011 PolarHBondContact O-N 2.86Å; E1007-M1011 VanDerWaalsContact O-N 3.14Å; A1008-M1011 PolarHBondContact O-N 2.85Å; A1008-M1011 VanDerWaalsContact O-N 3.17Å; M1009-M1011 VanDerWaalsContact C-N 3.27Å; M1009-M1011 PolarHBondContact O-N 2.84Å; M1011-W1043 HydrophobicContact CE-CH2 4.38Å; M1011-L1054 HydrophobicContact CE-CD1 3.36Å; M1011-R1058 HydrophobicContact CE-CG 3.9Å; M1011-R1058 HydrophobicContact SD-CG 4.19Å |
| 1012 | V | 88.6 | Confident | 89.6 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -82.4 | 130 | 171.8 | 177 | 0 | 0 | 0 | 0 | 109.6 | M1009 Q1016 V1018 W1043 P1095 | M1009-V1012 WeakPolarHBondContact O-CB 3.48Å; M1009-V1012 PolarHBondContact O-N 2.92Å; V1012-Q1016 HydrophobicContact CG1-CB 4.19Å; V1012-V1018 HydrophobicContact CG1-CG2 4.09Å; V1012-V1018 HydrophobicContact CG2-CG2 4.47Å; V1012-W1043 HydrophobicContact CG2-CZ2 4.14Å; V1012-P1095 HydrophobicContact CG1-CB 4.3Å; V1012-P1095 HydrophobicContact CG1-CG 3.78Å; V1012-P1095 HydrophobicContact CG2-CB 3.61Å; V1012-P1095 HydrophobicContact CG2-CG 4.04Å |
| 1013 | E | 86.1 | Confident | 89.3 | Confident | 111 Ų | 111 | 63 Ų | 63 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | trans | -66.5 | 140.1 | 177.6 | -65.5 | -178.8 | -176.9 | 0 | 0 | 111.4 | H1015 Q1016 | E1013-H1015 PolarHBondContact O-N 2.87Å; E1013-Q1016 HydrophobicContact CB-CB 4.15Å; E1013-Q1016 WeakPolarHBondContact O-CB 3.26Å; E1013-Q1016 PolarHBondContact O-N 2.99Å | ||
| 1014 | P | 83 | Confident | 88.8 | Confident | 130 Ų | 130 | 62 Ų | 62 | 84% | 0.844 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -22.8 | -176.2 | -29.1 | 35.9 | 0 | 0 | 0 | 116 | ||
| 1015 | H | 82.4 | Confident | 88.5 | Confident | 176 Ų | 176 | 68.4 Ų | 68.4 | 82% | 0.815 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -13.6 | 178.1 | -53.9 | 106.2 | 0 | 0 | 0 | 113.3 | E1013 K1017 | E1013-H1015 PolarHBondContact O-N 2.87Å; H1015-K1017 PolarHBondContact O-N 3.1Å |
| 1016 | Q | 84.7 | Confident | 87.6 | Confident | 42 Ų | 42 | 70.2 Ų | 70.2 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -91 | 108.8 | -170.8 | -159.5 | -176.3 | 40.5 | 0 | 0 | 110.4 | V1012 E1013 V1018 L1093 P1095 | V1012-Q1016 HydrophobicContact CG1-CB 4.19Å; E1013-Q1016 HydrophobicContact CB-CB 4.15Å; E1013-Q1016 WeakPolarHBondContact O-CB 3.26Å; E1013-Q1016 PolarHBondContact O-N 2.99Å; Q1016-V1018 PolarHBondContact O-N 3.27Å; Q1016-L1093 PolarHBondContact NE2-O 3.35Å; Q1016-P1095 HydrophobicContact CG-CG 4.02Å |
| 1017 | K | 87.2 | Confident | 86.9 | Confident | 188 Ų | 188 | 66.5 Ų | 66.5 | 82% | 0.817 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 119.9 | 178 | -64.7 | -175.9 | 179.9 | -178.3 | 0 | 110.8 | H1015 | H1015-K1017 PolarHBondContact O-N 3.1Š|
| 1018 | V | 92.4 | Very high | 86.5 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 128.4 | 169.3 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | P961 M1009 V1012 Q1016 I1041 P1095 Q1097 | P961-V1018 VanDerWaalsContact CD-O 3.29Å; P961-V1018 WeakPolarHBondContact CD-O 3.29Å; P961-V1018 HydrophobicContact CG-CG1 4.41Å; M1009-V1018 HydrophobicContact SD-CG2 4.33Å; V1012-V1018 HydrophobicContact CG1-CG2 4.09Å; V1012-V1018 HydrophobicContact CG2-CG2 4.47Å; Q1016-V1018 PolarHBondContact O-N 3.27Å; V1018-I1041 HydrophobicContact CG1-CD1 4.41Å; V1018-P1095 WeakPolarHBondContact CA-O 3.25Å; V1018-P1095 HydrophobicContact CG2-CB 4.27Å; V1018-P1095 HydrophobicContact CG2-CG 4.18Å; V1018-Q1097 HydrophobicContact CG1-CB 4.19Å; V1018-Q1097 HydrophobicContact CG1-CG 4.06Å |
| 1019 | A | 94 | Very high | 86.3 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 158.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | F942 F958 L959 M1094 P1095 T1096 Q1097 | F942-A1019 HydrophobicContact CE2-CB 3.9Å; F942-A1019 HydrophobicContact CZ-CB 4.15Å; F958-A1019 HydrophobicContact CB-CB 4.07Å; L959-A1019 CarbonylContact O-C 3.59Å; L959-A1019 VanDerWaalsContact O-CA 3.3Å; L959-A1019 WeakPolarHBondContact O-CA 3.19Å; A1019-M1094 HydrophobicContact CB-CG 4.41Å; A1019-M1094 HydrophobicContact CB-SD 4.07Å; A1019-P1095 PolarHBondContact N-O 2.77Å; A1019-T1096 HydrophobicContact CB-CG2 4.22Å; A1019-T1096 CarbonylContact O-C 3.54Å; A1019-T1096 VanDerWaalsContact O-CA 3.27Å; A1019-T1096 WeakPolarHBondContact O-CA 3.4Å; A1019-Q1097 PolarHBondContact O-N 2.84Å |
| 1020 | W | 93.7 | Very high | 86.1 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 120.2 | 172.2 | 175.8 | 54.4 | 0 | 0 | 0 | 110.1 | F942 L959 P961 A968 R1022 Q1097 I1098 P1100 | F942-W1020 VanDerWaalsContact CD2-O 3.26Å; F942-W1020 WeakPolarHBondContact CD2-O 3.48Å; F942-W1020 WeakPolarHBondContact CE2-O 3.49Å; L959-W1020 HydrophobicContact CB-CB 4.36Å; L959-W1020 HydrophobicContact CB-CE3 4.06Å; L959-W1020 WeakPolarHBondContact CB-O 3.24Å; L959-W1020 HydrophobicContact CD1-CE3 3.8Å; L959-W1020 HydrophobicContact CD1-CZ3 3.88Å; L959-W1020 HydrophobicContact CG-CE3 4.35Å; L959-W1020 PolarHBondContact O-N 2.88Å; P961-W1020 HydrophobicContact CG-CB 4.24Å; A968-W1020 HydrophobicContact CB-CH2 3.6Å; A968-W1020 HydrophobicContact CB-CZ2 3.84Å; W1020-R1022 HydrophobicContact CH2-CB 3.99Å; W1020-R1022 HydrophobicContact CH2-CG 3.77Å; W1020-R1022 HydrophobicContact CZ2-CB 4.11Å; W1020-R1022 HydrophobicContact CZ2-CG 4Å; W1020-R1022 HydrophobicContact CZ3-CB 4.38Å; W1020-Q1097 CarbonylContact C-O 3.58Å; W1020-Q1097 WeakPolarHBondContact CA-O 3.44Å; W1020-Q1097 VanDerWaalsContact CD1-O 3.29Å; W1020-I1098 PolarHBondContact NE1-O 3.47Å; W1020-P1100 HydrophobicContact CZ2-CB 4.19Å |
| 1021 | K | 92.2 | Very high | 86.2 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | trans | -93.3 | 113.6 | 170.1 | -163.3 | 175.9 | -168.2 | -165.5 | 0 | 108.2 | R938 F942 A1023 E1029 T1096 Q1097 | R938-K1021 WeakPolarHBondContact O-CE 3.37Å; F942-K1021 HydrophobicContact CB-CG 4.19Å; F942-K1021 HydrophobicContact CD1-CD 4.32Å; F942-K1021 HydrophobicContact CD1-CG 4.19Å; F942-K1021 HydrophobicContact CD2-CB 3.98Å; F942-K1021 HydrophobicContact CD2-CG 4.03Å; F942-K1021 HydrophobicContact CE2-CB 4Å; F942-K1021 HydrophobicContact CE2-CG 4.42Å; F942-K1021 HydrophobicContact CG-CB 4.35Å; F942-K1021 HydrophobicContact CG-CG 3.9Å; F942-K1021 HydrophobicContact CZ-CB 4.4Å; K1021-A1023 PolarHBondContact O-N 3.42Å; K1021-E1029 WeakPolarHBondContact CD-OE1 3.39Å; K1021-E1029 WeakPolarHBondContact CE-OE1 3.42Å; K1021-E1029 IonicContact NZ-OE1 3.98Å; K1021-E1029 PolarHBondContact NZ-OE1 2.95Å; K1021-E1029 IonicContact NZ-OE2 2.72Å; K1021-E1029 PolarHBondContact NZ-OE2 3.11Å; K1021-T1096 HydrophobicContact CB-CG2 3.8Å; K1021-Q1097 PolarHBondContact N-O 2.98Å | ||
| 1022 | R | 89.4 | Confident | 86.2 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | trans | -60.9 | 126.4 | 173 | -167.1 | -151.9 | -168.2 | 80.1 | 12.5 | 108.3 | D965 W1020 V1024 | D965-R1022 IonicContact OD1-CZ 3.54Å; D965-R1022 IonicContact OD1-NH1 2.76Å; D965-R1022 IonicContact OD1-NH2 3.34Å; D965-R1022 PolarHBondContact OD1-NH2 2.6Å; D965-R1022 IonicContact OD2-CZ 3.34Å; D965-R1022 IonicContact OD2-NH1 2.95Å; D965-R1022 PolarHBondContact OD2-NH1 3.1Å; D965-R1022 IonicContact OD2-NH2 3.33Å; D965-R1022 PolarHBondContact OD2-NH2 3.47Å; W1020-R1022 HydrophobicContact CH2-CB 3.99Å; W1020-R1022 HydrophobicContact CH2-CG 3.77Å; W1020-R1022 HydrophobicContact CZ2-CB 4.11Å; W1020-R1022 HydrophobicContact CZ2-CG 4Å; W1020-R1022 HydrophobicContact CZ3-CB 4.38Å; R1022-V1024 PolarHBondContact O-N 3.37Å | ||
| 1023 | A | 87.3 | Confident | 86 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | trans | -56.1 | 135.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | W972 K1021 I1098 Y1530 | W972-A1023 HydrophobicContact CZ2-CB 4.34Å; K1021-A1023 PolarHBondContact O-N 3.42Å; A1023-I1098 HydrophobicContact CB-CG2 4.25Å; A1023-Y1530 HydrophobicContact CB-CE1 4.17Å; A1023-Y1530 WeakPolarHBondContact O-CE1 3.48Å; A1023-Y1530 PolarHBondContact O-OH 2.87Å | ||
| 1024 | V | 82.7 | Confident | 85.7 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 16% | 0.164 | 28% | 0.276 | C | S | . | . | trans | -108.9 | 135.1 | 178.4 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | F940 R1022 G1026 V1027 | F940-V1024 HydrophobicContact CD1-CG1 4.22Å; F940-V1024 HydrophobicContact CD1-CG2 4.25Å; F940-V1024 HydrophobicContact CE1-CG1 4.06Å; R1022-V1024 PolarHBondContact O-N 3.37Å; V1024-G1026 PolarHBondContact O-N 2.82Å; V1024-V1027 HydrophobicContact CB-CB 4Å; V1024-V1027 HydrophobicContact CB-CG2 3.89Å; V1024-V1027 HydrophobicContact CG1-CB 4.34Å; V1024-V1027 HydrophobicContact CG1-CG2 3.67Å; V1024-V1027 PolarHBondContact O-N 3.16Å; V1024-V1027 VanDerWaalsContact O-N 3.1Å | ||
| 1025 | R | 81.5 | Confident | 85.5 | Confident | 171 Ų | 171 | 50.8 Ų | 50.8 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 128.6 | -176 | -177.5 | 171.6 | -175.2 | -150.1 | -4.3 | 110.6 | V1027 S1529 Y1530 | R1025-V1027 PolarHBondContact O-N 2.83Å; R1025-S1529 PolarHBondContact NE-O 3.42Å; R1025-Y1530 WeakPolarHBondContact CA-O 3.17Å; R1025-Y1530 HydrophobicContact CB-CD1 4.4Å; R1025-Y1530 HydrophobicContact CB-CD2 4.09Å; R1025-Y1530 HydrophobicContact CB-CE1 4.13Å; R1025-Y1530 HydrophobicContact CB-CE2 3.8Å; R1025-Y1530 HydrophobicContact CB-CG 4.38Å; R1025-Y1530 HydrophobicContact CG-CD2 4.26Å; R1025-Y1530 HydrophobicContact CG-CE2 4.42Å; R1025-Y1530 HydrophobicContact CG-CG 4.48Å |
| 1026 | G | 73.7 | Confident | 85.3 | Confident | 48 Ų | 48 | 42.4 Ų | 42.4 | 50% | 0.495 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 5.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | V1024 Y1530 V1532 | V1024-G1026 PolarHBondContact O-N 2.82Å; G1026-Y1530 PolarHBondContact N-O 3.03Å; G1026-V1532 WeakPolarHBondContact O-CG2 3.46Å |
| 1027 | V | 78.6 | Confident | 85.3 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | trans | -104.2 | 128.9 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | V935 V1024 R1025 | V935-V1027 HydrophobicContact CG1-CG2 3.47Å; V935-V1027 VanDerWaalsContact CG1-CG2 3.47Å; V1024-V1027 HydrophobicContact CB-CB 4Å; V1024-V1027 HydrophobicContact CB-CG2 3.89Å; V1024-V1027 HydrophobicContact CG1-CB 4.34Å; V1024-V1027 HydrophobicContact CG1-CG2 3.67Å; V1024-V1027 PolarHBondContact O-N 3.16Å; V1024-V1027 VanDerWaalsContact O-N 3.1Å; R1025-V1027 PolarHBondContact O-N 2.83Å | ||
| 1028 | R | 82.4 | Confident | 85.4 | Confident | 63 Ų | 63 | 32.4 Ų | 32.4 | 24% | 0.238 | 17% | 0.167 | C | C | . | . | trans | -92.3 | 127.1 | 172.5 | -165 | 179.9 | -173.5 | -175 | 5.3 | 110.2 | M1030 T1037 D1732 Q1735 | R1028-M1030 HydrophobicContact CB-SD 4.41Å; R1028-M1030 HydrophobicContact CG-CG 4.01Å; R1028-M1030 HydrophobicContact CG-SD 4.17Å; R1028-T1037 HydrophobicContact CG-CG2 4.31Å; R1028-T1037 PolarHBondContact NE-OG1 2.63Å; R1028-T1037 PolarHBondContact NH2-OG1 2.8Å; R1028-D1732 PolarHBondContact NH1-O 3.09Å; R1028-D1732 PolarHBondContact NH2-O 3.22Å; R1028-D1732 IonicContact NH2-OD1 3.36Å; R1028-D1732 PolarHBondContact NH2-OD1 2.77Å; R1028-D1732 IonicContact NH2-OD2 3.27Å; R1028-Q1735 VanDerWaalsContact NH2-CG 3.26Å | ||
| 1029 | E | 86.4 | Confident | 85.2 | Confident | 29 Ų | 29 | 31.7 Ų | 31.7 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | trans | -90.1 | 117.3 | 175.9 | -67.7 | -68.6 | 175.9 | 0 | 0 | 109.6 | K1021 T1037 L1038 I1098 | K1021-E1029 WeakPolarHBondContact CD-OE1 3.39Å; K1021-E1029 WeakPolarHBondContact CE-OE1 3.42Å; K1021-E1029 IonicContact NZ-OE1 3.98Å; K1021-E1029 PolarHBondContact NZ-OE1 2.95Å; K1021-E1029 IonicContact NZ-OE2 2.72Å; K1021-E1029 PolarHBondContact NZ-OE2 3.11Å; E1029-T1037 CarbonylContact O-C 3.56Å; E1029-T1037 WeakPolarHBondContact O-CA 3.46Å; E1029-L1038 HydrophobicContact CB-CB 4.15Å; E1029-L1038 HydrophobicContact CB-CD1 4.44Å; E1029-L1038 PolarHBondContact O-N 2.66Å; E1029-I1098 HydrophobicContact CB-CD1 4.12Å; E1029-I1098 HydrophobicContact CG-CD1 4.3Å | ||
| 1030 | M | 85.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 31.5 Ų | 31.5 | 28% | 0.281 | 16% | 0.16 | S | C | . | . | B | Isolated β-bridge | trans | -125.9 | 154.8 | -172.2 | -70.2 | 163.5 | 75.2 | 0 | 0 | 112.1 | R1028 E1035 T1036 L1038 | R1028-M1030 HydrophobicContact CB-SD 4.41Å; R1028-M1030 HydrophobicContact CG-CG 4.01Å; R1028-M1030 HydrophobicContact CG-SD 4.17Å; M1030-E1035 HydrophobicContact CE-CB 4.36Å; M1030-E1035 WeakPolarHBondContact CE-O 3.25Å; M1030-T1036 WeakPolarHBondContact CA-O 3.48Å; M1030-L1038 WeakPolarHBondContact O-CD1 3.37Å |
| 1031 | C | 90.1 | Very high | 85.2 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | trans | -81.6 | 130 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 112 | V1033 E1035 T1036 L1038 C1053 | C1031-V1033 PolarHBondContact O-N 3.26Å; C1031-E1035 WeakPolarHBondContact O-CA 3.47Å; C1031-E1035 PolarHBondContact O-N 2.69Å; C1031-T1036 PolarHBondContact N-O 3.27Å; C1031-L1038 HydrophobicContact CB-CD2 3.96Å; C1031-C1053 HydrophobicContact CB-CB 4.11Å; C1031-C1053 PolarHBondContact SG-N 3.45Å | ||
| 1032 | D | 88.9 | Confident | 85.3 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.043 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 18.4 | 179.9 | -66.8 | -60.6 | 0 | 0 | 0 | 116 | R915 R938 F1050 G1051 | R915-D1032 IonicContact CZ-OD1 2.77Å; R915-D1032 IonicContact NH1-OD1 2.74Å; R915-D1032 PolarHBondContact NH1-OD1 2.88Å; R938-D1032 IonicContact CZ-OD1 2.78Å; R938-D1032 VanDerWaalsContact CZ-OD1 3.23Å; R938-D1032 IonicContact CZ-OD2 2.68Å; R938-D1032 IonicContact NH1-OD1 3.58Å; R938-D1032 PolarHBondContact NH1-OD1 3.06Å; R938-D1032 IonicContact NH1-OD2 3.62Å; R938-D1032 PolarHBondContact NH1-OD2 3.28Å; R938-D1032 IonicContact NH2-OD1 2.66Å; R938-D1032 PolarHBondContact NH2-OD1 3.26Å; R938-D1032 IonicContact NH2-OD2 3.4Å; D1032-F1050 HydrophobicContact CB-CD2 3.41Å; D1032-F1050 VanDerWaalsContact CB-CD2 3.41Å; D1032-F1050 HydrophobicContact CB-CE2 3.33Å; D1032-F1050 HydrophobicContact CB-CG 4.35Å; D1032-F1050 HydrophobicContact CB-CZ 4.22Å; D1032-F1050 WeakPolarHBondContact OD2-CA 3.46Å; D1032-G1051 PolarHBondContact N-O 3.21Å; D1032-G1051 PolarHBondContact OD2-N 2.96Å |
| 1033 | V | 84.6 | Confident | 85.6 | Confident | 28 Ų | 28 | 28.6 Ų | 28.6 | 17% | 0.17 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | -48.2 | -170.2 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | C1031 F1050 V1052 C1056 F1077 W1079 | C1031-V1033 PolarHBondContact O-N 3.26Å; V1033-F1050 HydrophobicContact CG2-CE2 4.34Å; V1033-F1050 HydrophobicContact CG2-CZ 3.85Å; V1033-V1052 HydrophobicContact CG2-CG1 3.74Å; V1033-C1056 HydrophobicContact CB-CB 4.35Å; V1033-C1056 HydrophobicContact CG1-CB 4.3Å; V1033-F1077 HydrophobicContact CG1-CB 4.29Å; V1033-F1077 HydrophobicContact CG1-CD1 4.31Å; V1033-W1079 HydrophobicContact CG2-CD2 4.43Å; V1033-W1079 HydrophobicContact CG2-CG 4.22Å |
| 1034 | C | 78.9 | Confident | 86 | Confident | 18 Ų | 18 | 28.4 Ų | 28.4 | 12% | 0.122 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 10.7 | 177.2 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | T1036 | C1034-T1036 WeakPolarHBondContact O-CG2 3.24Å; C1034-T1036 PolarHBondContact O-N 3.33Å; C1034-T1036 PolarHBondContact SG-OG1 2.94Å |
| 1035 | E | 78.6 | Confident | 86.5 | Confident | 58 Ų | 58 | 27.5 Ų | 27.5 | 27% | 0.271 | 14% | 0.141 | S | C | . | . | trans | 54.4 | 1.3 | 174.3 | -62.3 | -179.8 | 152.6 | 0 | 0 | 117.2 | M1030 C1031 | M1030-E1035 HydrophobicContact CE-CB 4.36Å; M1030-E1035 WeakPolarHBondContact CE-O 3.25Å; C1031-E1035 WeakPolarHBondContact O-CA 3.47Å; C1031-E1035 PolarHBondContact O-N 2.69Å | ||
| 1036 | T | 78 | Confident | 87.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -73.5 | 158.6 | 178.9 | 70 | 0 | 0 | 0 | 0 | 114.7 | M1030 C1031 C1034 L1038 R1721 D1732 | M1030-T1036 WeakPolarHBondContact CA-O 3.48Å; C1031-T1036 PolarHBondContact N-O 3.27Å; C1034-T1036 WeakPolarHBondContact O-CG2 3.24Å; C1034-T1036 PolarHBondContact O-N 3.33Å; C1034-T1036 PolarHBondContact SG-OG1 2.94Å; T1036-L1038 PolarHBondContact O-N 2.67Å; T1036-R1721 HydrophobicContact CG2-CG 3.72Å; T1036-R1721 VanDerWaalsContact OG1-CZ 3.32Å; T1036-R1721 PolarHBondContact OG1-NH1 3.1Å; T1036-D1732 HydrophobicContact CG2-CB 3.76Å | ||
| 1037 | T | 84.3 | Confident | 87.9 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -61.4 | 130.5 | -178.8 | -31.3 | 0 | 0 | 0 | 0 | 112.1 | R1028 E1029 F1039 D1732 Q1735 | R1028-T1037 HydrophobicContact CG-CG2 4.31Å; R1028-T1037 PolarHBondContact NE-OG1 2.63Å; R1028-T1037 PolarHBondContact NH2-OG1 2.8Å; E1029-T1037 CarbonylContact O-C 3.56Å; E1029-T1037 WeakPolarHBondContact O-CA 3.46Å; T1037-F1039 PolarHBondContact O-N 2.83Å; T1037-D1732 VanDerWaalsContact CB-OD2 3.31Å; T1037-D1732 WeakPolarHBondContact CB-OD2 3.36Å; T1037-D1732 PolarHBondContact N-OD2 2.87Å; T1037-D1732 VanDerWaalsContact N-OD2 3.1Å; T1037-D1732 PolarHBondContact OG1-OD2 3.24Å; T1037-Q1735 HydrophobicContact CG2-CG 4.16Å |
| 1038 | L | 89.3 | Confident | 88.5 | Confident | 10 Ų | 10 | 26.9 Ų | 26.9 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | trans | -75.7 | 113.7 | 167.7 | -57.2 | 178.5 | 0 | 0 | 0 | 108.4 | E1029 M1030 C1031 T1036 H1042 C1053 I1098 | E1029-L1038 HydrophobicContact CB-CB 4.15Å; E1029-L1038 HydrophobicContact CB-CD1 4.44Å; E1029-L1038 PolarHBondContact O-N 2.66Å; M1030-L1038 WeakPolarHBondContact O-CD1 3.37Å; C1031-L1038 HydrophobicContact CB-CD2 3.96Å; T1036-L1038 PolarHBondContact O-N 2.67Å; L1038-H1042 HydrophobicContact CD1-CB 4.35Å; L1038-H1042 HydrophobicContact CD2-CB 4.02Å; L1038-C1053 HydrophobicContact CD2-CB 3.71Å; L1038-I1098 HydrophobicContact CB-CD1 3.98Å; L1038-I1098 VanDerWaalsContact O-CD1 3.3Å; L1038-I1098 WeakPolarHBondContact O-CD1 3.47Å | ||
| 1039 | F | 89.5 | Confident | 89 | Confident | 10 Ų | 10 | 24 Ų | 24 | 4% | 0.044 | 12% | 0.115 | C | C | . | . | trans | -80 | -59.4 | -177.3 | 172.7 | -120.5 | 0 | 0 | 0 | 112 | L1001 E1005 T1037 I1099 L1104 K1737 N1738 Y1741 | L1001-F1039 HydrophobicContact CB-CE1 4.25Å; L1001-F1039 HydrophobicContact CD1-CE1 4.42Å; L1001-F1039 HydrophobicContact CD1-CZ 4.2Å; E1005-F1039 HydrophobicContact CG-CD1 4.09Å; E1005-F1039 HydrophobicContact CG-CE1 4Å; E1005-F1039 WeakPolarHBondContact OE1-CD1 3.49Å; T1037-F1039 PolarHBondContact O-N 2.83Å; F1039-I1099 HydrophobicContact CE1-CD1 4.47Å; F1039-I1099 HydrophobicContact CE2-CD1 4.36Å; F1039-I1099 HydrophobicContact CZ-CD1 4.08Å; F1039-L1104 HydrophobicContact CE1-CD1 4.44Å; F1039-L1104 HydrophobicContact CZ-CD1 4.29Å; F1039-K1737 HydrophobicContact CB-CB 4Å; F1039-K1737 HydrophobicContact CB-CD 3.84Å; F1039-K1737 HydrophobicContact CD1-CB 4.46Å; F1039-K1737 HydrophobicContact CD2-CB 3.56Å; F1039-K1737 HydrophobicContact CE2-CB 4.11Å; F1039-K1737 WeakPolarHBondContact CE2-O 3.37Å; F1039-K1737 HydrophobicContact CG-CB 3.75Å; F1039-K1737 HydrophobicContact CG-CD 4.2Å; F1039-N1738 WeakPolarHBondContact CD2-OD1 3.35Å; F1039-Y1741 HydrophobicContact CE2-CD2 4.31Å; F1039-Y1741 HydrophobicContact CE2-CG 4.44Å; F1039-Y1741 AromaticContact CZ-CD2 3.98Å; F1039-Y1741 HydrophobicContact CZ-CD2 3.98Å | ||
| 1040 | N | 93.5 | Very high | 89.3 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -147.4 | -83.4 | 178.9 | 178.3 | 51.8 | 0 | 0 | 0 | 112.9 | E1005 H1042 Q1097 I1098 I1099 | E1005-N1040 VanDerWaalsContact OE2-CB 3.26Å; E1005-N1040 WeakPolarHBondContact OE2-CB 3.36Å; E1005-N1040 PolarHBondContact OE2-ND2 2.99Å; N1040-H1042 PolarHBondContact O-N 2.95Å; N1040-H1042 PolarHBondContact O-ND1 2.67Å; N1040-Q1097 WeakPolarHBondContact O-CA 3.42Å; N1040-Q1097 WeakPolarHBondContact OD1-CB 3.26Å; N1040-I1098 PolarHBondContact O-N 2.85Å; N1040-I1098 PolarHBondContact OD1-N 2.82Å; N1040-I1098 VanDerWaalsContact OD1-N 3.08Å; N1040-I1099 HydrophobicContact CB-CD1 3.79Å; N1040-I1099 HydrophobicContact CB-CG1 3.87Å; N1040-I1099 VanDerWaalsContact OD1-CB 3.31Å; N1040-I1099 WeakPolarHBondContact OD1-CB 3.48Å; N1040-I1099 WeakPolarHBondContact OD1-CG1 3.34Å; N1040-I1099 PolarHBondContact OD1-N 2.82Å |
| 1041 | I | 93.8 | Very high | 89.6 | Confident | 5 Ų | 5 | 20.3 Ų | 20.3 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | trans | -75.2 | 123.7 | 179.7 | -65.2 | -75.3 | 0 | 0 | 0 | 110.6 | E1005 A1008 M1009 V1018 W1043 T1096 Q1097 | E1005-I1041 PolarHBondContact OE1-N 2.99Å; E1005-I1041 WeakPolarHBondContact OE2-CB 3.24Å; E1005-I1041 WeakPolarHBondContact OE2-CG1 3.33Å; E1005-I1041 PolarHBondContact OE2-N 3.35Å; A1008-I1041 HydrophobicContact CB-CB 3.75Å; A1008-I1041 HydrophobicContact CB-CG1 4.31Å; A1008-I1041 HydrophobicContact CB-CG2 3.55Å; M1009-I1041 HydrophobicContact CE-CD1 3.85Å; M1009-I1041 HydrophobicContact CG-CD1 4.24Å; M1009-I1041 HydrophobicContact CG-CG1 4.37Å; M1009-I1041 HydrophobicContact SD-CD1 3.96Å; V1018-I1041 HydrophobicContact CG1-CD1 4.41Å; I1041-W1043 HydrophobicContact CG2-CE3 4.5Å; I1041-W1043 HydrophobicContact CG2-CH2 3.75Å; I1041-W1043 HydrophobicContact CG2-CZ2 4.49Å; I1041-W1043 HydrophobicContact CG2-CZ3 3.75Å; I1041-T1096 WeakPolarHBondContact CA-O 3.43Å; I1041-Q1097 HydrophobicContact CD1-CB 3.73Å | ||
| 1042 | H | 94.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 166.6 | -179.3 | 63.9 | -77 | 0 | 0 | 0 | 110.3 | L1038 N1040 V1044 V1052 T1096 | L1038-H1042 HydrophobicContact CD1-CB 4.35Å; L1038-H1042 HydrophobicContact CD2-CB 4.02Å; N1040-H1042 PolarHBondContact O-N 2.95Å; N1040-H1042 PolarHBondContact O-ND1 2.67Å; H1042-V1044 WeakPolarHBondContact CD2-CG2 3.45Å; H1042-V1044 WeakPolarHBondContact NE2-CG2 3.32Å; H1042-V1052 WeakPolarHBondContact CB-O 3.47Å; H1042-T1096 PolarHBondContact N-O 3.19Å; H1042-T1096 PolarHBondContact ND1-O 2.84Å; H1042-T1096 VanDerWaalsContact ND1-O 3.09Å; H1042-T1096 PolarHBondContact O-N 3.48Å; H1042-T1096 VanDerWaalsContact O-O 3.13Å |
| 1043 | W | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.2 | -176.4 | -82 | -100.4 | 0 | 0 | 0 | 111.6 | A1008 M1011 V1012 I1041 G1051 V1052 L1054 Y1057 L1093 M1094 | A1008-W1043 HydrophobicContact CB-CH2 4.34Å; M1011-W1043 HydrophobicContact CE-CH2 4.38Å; V1012-W1043 HydrophobicContact CG2-CZ2 4.14Å; I1041-W1043 HydrophobicContact CG2-CE3 4.5Å; I1041-W1043 HydrophobicContact CG2-CH2 3.75Å; I1041-W1043 HydrophobicContact CG2-CZ2 4.49Å; I1041-W1043 HydrophobicContact CG2-CZ3 3.75Å; W1043-G1051 CarbonylContact O-C 3.58Å; W1043-G1051 VanDerWaalsContact O-CA 3.31Å; W1043-G1051 WeakPolarHBondContact O-CA 3.44Å; W1043-V1052 HydrophobicContact CB-CG2 3.9Å; W1043-V1052 PolarHBondContact N-O 3.02Å; W1043-V1052 PolarHBondContact O-N 3.02Å; W1043-L1054 HydrophobicContact CH2-CD1 4.12Å; W1043-L1054 HydrophobicContact CZ3-CD1 3.83Å; W1043-Y1057 HydrophobicContact CB-CD2 3.64Å; W1043-Y1057 HydrophobicContact CB-CE2 3.94Å; W1043-Y1057 HydrophobicContact CB-CG 4.35Å; W1043-Y1057 AromaticContact CD1-CD2 3.89Å; W1043-Y1057 AromaticContact CD1-CE2 3.38Å; W1043-Y1057 AromaticContact CD1-CZ 3.64Å; W1043-Y1057 AromaticContact CD2-CD1 3.79Å; W1043-Y1057 HydrophobicContact CD2-CD1 3.79Å; W1043-Y1057 AromaticContact CD2-CD2 3.68Å; W1043-Y1057 HydrophobicContact CD2-CD2 3.68Å; W1043-Y1057 AromaticContact CD2-CE1 3.98Å; W1043-Y1057 HydrophobicContact CD2-CE1 3.98Å; W1043-Y1057 AromaticContact CD2-CE2 3.86Å; W1043-Y1057 HydrophobicContact CD2-CE2 3.86Å; W1043-Y1057 AromaticContact CD2-CG 3.64Å; W1043-Y1057 HydrophobicContact CD2-CG 3.64Å; W1043-Y1057 AromaticContact CE2-CD1 3.86Å; W1043-Y1057 AromaticContact CE2-CE1 3.63Å; W1043-Y1057 AromaticContact CE2-CZ 3.76Å; W1043-Y1057 AromaticContact CE3-CD1 3.85Å; W1043-Y1057 HydrophobicContact CE3-CD1 3.85Å; W1043-Y1057 HydrophobicContact CE3-CD2 4.11Å; W1043-Y1057 HydrophobicContact CE3-CE1 4.46Å; W1043-Y1057 AromaticContact CE3-CG 3.66Å; W1043-Y1057 HydrophobicContact CE3-CG 3.66Å; W1043-Y1057 HydrophobicContact CG-CD1 4.4Å; W1043-Y1057 AromaticContact CG-CD2 3.45Å; W1043-Y1057 HydrophobicContact CG-CD2 3.45Å; W1043-Y1057 VanDerWaalsContact CG-CD2 3.45Å; W1043-Y1057 HydrophobicContact CG-CE1 4.42Å; W1043-Y1057 AromaticContact CG-CE2 3.45Å; W1043-Y1057 HydrophobicContact CG-CE2 3.45Å; W1043-Y1057 VanDerWaalsContact CG-CE2 3.45Å; W1043-Y1057 AromaticContact CG-CG 3.96Å; W1043-Y1057 HydrophobicContact CG-CG 3.96Å; W1043-Y1057 AromaticContact CG-CZ 3.98Å; W1043-Y1057 HydrophobicContact CH2-CD1 4.13Å; W1043-Y1057 HydrophobicContact CH2-CE1 4.4Å; W1043-Y1057 HydrophobicContact CZ2-CD1 4.04Å; W1043-Y1057 AromaticContact CZ2-CE1 3.87Å; W1043-Y1057 HydrophobicContact CZ2-CE1 3.87Å; W1043-Y1057 HydrophobicContact CZ3-CD1 4.03Å; W1043-Y1057 HydrophobicContact CZ3-CG 4.25Å; W1043-Y1057 AromaticContact NE1-CE1 3.83Å; W1043-Y1057 AromaticContact NE1-CE2 3.74Å; W1043-Y1057 AromaticContact NE1-CZ 3.47Å; W1043-L1093 HydrophobicContact CB-CB 3.82Å; W1043-L1093 HydrophobicContact CB-CD1 3.99Å; W1043-L1093 HydrophobicContact CG-CB 4.43Å; W1043-M1094 CarbonylContact C-O 3.56Å; W1043-M1094 WeakPolarHBondContact CA-O 3.37Å |
| 1044 | V | 95.2 | Very high | 90 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 5% | 0.048 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.4 | -170.5 | -174.5 | 0 | 0 | 0 | 0 | 113.2 | F942 H1042 R1046 F1050 M1094 T1096 | F942-V1044 HydrophobicContact CE1-CG1 4.22Å; H1042-V1044 WeakPolarHBondContact CD2-CG2 3.45Å; H1042-V1044 WeakPolarHBondContact NE2-CG2 3.32Å; V1044-R1046 PolarHBondContact O-N 3.29Å; V1044-F1050 CarbonylContact C-O 3.56Å; V1044-F1050 VanDerWaalsContact CA-O 3.3Å; V1044-F1050 WeakPolarHBondContact CA-O 3.31Å; V1044-M1094 HydrophobicContact CB-CE 3.94Å; V1044-M1094 HydrophobicContact CB-CG 4.39Å; V1044-M1094 HydrophobicContact CG1-CE 3.94Å; V1044-M1094 PolarHBondContact N-O 2.84Å; V1044-M1094 WeakPolarHBondContact O-CG 3.24Å; V1044-M1094 PolarHBondContact O-N 3.37Å; V1044-T1096 HydrophobicContact CG2-CG2 4.36Å |
| 1045 | C | 94.6 | Very high | 90.3 | Very high | 8 Ų | 8 | 20.9 Ų | 20.9 | 5% | 0.054 | 10% | 0.099 | C | C | . | . | trans | -71.9 | 115.2 | 173.5 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | K1047 C1048 G1049 F1050 C1082 H1088 L1093 | C1045-K1047 PolarHBondContact O-N 3.43Å; C1045-C1048 VanDerWaalsContact SG-SG 3.69Å; C1045-G1049 WeakPolarHBondContact O-CA 3.21Å; C1045-G1049 PolarHBondContact O-N 3.13Å; C1045-F1050 HydrophobicContact CB-CB 3.98Å; C1045-F1050 PolarHBondContact N-O 2.92Å; C1045-C1082 VanDerWaalsContact SG-SG 3.67Å; C1045-H1088 PolarHBondContact SG-NE2 2.87Å; C1045-L1093 HydrophobicContact CB-CD2 3.74Å | ||
| 1046 | R | 92.4 | Very high | 90.8 | Very high | 128 Ų | 128 | 18.9 Ų | 18.9 | 48% | 0.483 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -25.5 | 177.1 | -67.8 | 176.3 | 178.5 | 164.9 | 7.3 | 114.2 | F958 V1044 M1094 | F958-R1046 HydrophobicContact CE2-CB 4.1Å; F958-R1046 HydrophobicContact CE2-CG 3.89Å; F958-R1046 HydrophobicContact CZ-CB 4.27Å; F958-R1046 HydrophobicContact CZ-CG 4.43Å; V1044-R1046 PolarHBondContact O-N 3.29Å; R1046-M1094 HydrophobicContact CG-CB 4.16Å; R1046-M1094 HydrophobicContact CG-CE 3.99Å; R1046-M1094 HydrophobicContact CG-CG 4.23Å; R1046-M1094 HydrophobicContact CG-SD 3.5Å; R1046-M1094 WeakPolarHBondContact CG-SD 3.4Å |
| 1047 | K | 90.9 | Very high | 91.4 | Very high | 104 Ų | 104 | 19.1 Ų | 19.1 | 45% | 0.452 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -58.2 | -175.9 | -60.5 | 172.3 | -176.5 | 166 | 0 | 111.8 | H912 F939 C1045 | H912-K1047 VanDerWaalsContact CB-O 3.29Å; H912-K1047 WeakPolarHBondContact CB-O 3.48Å; F939-K1047 WeakPolarHBondContact CE2-O 3.37Å; F939-K1047 WeakPolarHBondContact CZ-O 3.33Å; C1045-K1047 PolarHBondContact O-N 3.43Å |
| 1048 | C | 91.8 | Very high | 91.6 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 9% | 0.088 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -4.3 | -171.5 | 66.5 | 0 | 0 | 0 | 0 | 115.9 | C914 R915 C1045 F1050 H1088 | C914-C1048 CarbonylContact C-O 3.59Å; C914-C1048 WeakPolarHBondContact CA-O 3.4Å; C914-C1048 WeakPolarHBondContact CB-O 3.47Å; R915-C1048 PolarHBondContact N-O 2.84Å; C1045-C1048 VanDerWaalsContact SG-SG 3.69Å; C1048-F1050 VanDerWaalsContact C-N 3.32Å; C1048-F1050 PolarHBondContact O-N 3.12Å; C1048-H1088 PolarHBondContact SG-NE2 2.93Å |
| 1049 | G | 92 | Very high | 91.4 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | trans | 79 | 10.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | R938 F939 C1045 G1051 | R938-G1049 WeakPolarHBondContact CD-O 3.42Å; R938-G1049 PolarHBondContact NH1-O 2.93Å; R938-G1049 VanDerWaalsContact NH1-O 3.13Å; F939-G1049 VanDerWaalsContact CZ-N 3.26Å; C1045-G1049 WeakPolarHBondContact O-CA 3.21Å; C1045-G1049 PolarHBondContact O-N 3.13Å; G1049-G1051 PolarHBondContact O-N 2.97Å | ||
| 1050 | F | 93.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | trans | -55.8 | 122.2 | 168.6 | 175.4 | -96.3 | 0 | 0 | 0 | 109.3 | D1032 V1033 V1044 C1045 C1048 V1052 W1079 L1080 H1088 L1093 | D1032-F1050 HydrophobicContact CB-CD2 3.41Å; D1032-F1050 VanDerWaalsContact CB-CD2 3.41Å; D1032-F1050 HydrophobicContact CB-CE2 3.33Å; D1032-F1050 HydrophobicContact CB-CG 4.35Å; D1032-F1050 HydrophobicContact CB-CZ 4.22Å; D1032-F1050 WeakPolarHBondContact OD2-CA 3.46Å; V1033-F1050 HydrophobicContact CG2-CE2 4.34Å; V1033-F1050 HydrophobicContact CG2-CZ 3.85Å; V1044-F1050 CarbonylContact C-O 3.56Å; V1044-F1050 VanDerWaalsContact CA-O 3.3Å; V1044-F1050 WeakPolarHBondContact CA-O 3.31Å; C1045-F1050 HydrophobicContact CB-CB 3.98Å; C1045-F1050 PolarHBondContact N-O 2.92Å; C1048-F1050 VanDerWaalsContact C-N 3.32Å; C1048-F1050 PolarHBondContact O-N 3.12Å; F1050-V1052 HydrophobicContact CD1-CG1 4.21Å; F1050-V1052 HydrophobicContact CE1-CG1 3.44Å; F1050-V1052 VanDerWaalsContact CE1-CG1 3.44Å; F1050-V1052 HydrophobicContact CZ-CG1 3.7Å; F1050-W1079 HydrophobicContact CE1-CD2 4.21Å; F1050-W1079 AromaticContact CE1-CE3 3.83Å; F1050-W1079 HydrophobicContact CE1-CE3 3.83Å; F1050-W1079 HydrophobicContact CE1-CZ3 4.26Å; F1050-W1079 HydrophobicContact CZ-CB 4.16Å; F1050-W1079 HydrophobicContact CZ-CD2 4.07Å; F1050-W1079 HydrophobicContact CZ-CE3 4.14Å; F1050-W1079 HydrophobicContact CZ-CG 4.11Å; F1050-L1080 HydrophobicContact CD2-CB 4.33Å; F1050-L1080 HydrophobicContact CE2-CB 4.02Å; F1050-H1088 HydrophobicContact CD1-CB 4Å; F1050-H1088 AromaticContact CD1-CD2 4Å; F1050-H1088 AromaticContact CD1-CE1 3.85Å; F1050-H1088 AromaticContact CD1-CG 3.59Å; F1050-H1088 AromaticContact CD1-ND1 3.5Å; F1050-H1088 HydrophobicContact CE1-CB 3.84Å; F1050-H1088 AromaticContact CE1-CG 3.89Å; F1050-H1088 AromaticContact CE1-ND1 3.83Å; F1050-H1088 AromaticContact CG-CE1 3.6Å; F1050-H1088 AromaticContact CG-ND1 3.62Å; F1050-L1093 HydrophobicContact CD1-CD2 4.44Å | ||
| 1051 | G | 93 | Very high | 90.9 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.4 | -172 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1032 W1043 G1049 | D1032-G1051 PolarHBondContact N-O 3.21Å; D1032-G1051 PolarHBondContact OD2-N 2.96Å; W1043-G1051 CarbonylContact O-C 3.58Å; W1043-G1051 VanDerWaalsContact O-CA 3.31Å; W1043-G1051 WeakPolarHBondContact O-CA 3.44Å; G1049-G1051 PolarHBondContact O-N 2.97Å |
| 1052 | V | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.6 | 179.5 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | V1033 H1042 W1043 F1050 C1056 Y1057 W1079 L1093 | V1033-V1052 HydrophobicContact CG2-CG1 3.74Å; H1042-V1052 WeakPolarHBondContact CB-O 3.47Å; W1043-V1052 HydrophobicContact CB-CG2 3.9Å; W1043-V1052 PolarHBondContact N-O 3.02Å; W1043-V1052 PolarHBondContact O-N 3.02Å; F1050-V1052 HydrophobicContact CD1-CG1 4.21Å; F1050-V1052 HydrophobicContact CE1-CG1 3.44Å; F1050-V1052 VanDerWaalsContact CE1-CG1 3.44Å; F1050-V1052 HydrophobicContact CZ-CG1 3.7Å; V1052-C1056 HydrophobicContact CB-CB 4.35Å; V1052-Y1057 HydrophobicContact CG2-CD2 4.12Å; V1052-W1079 HydrophobicContact CB-CH2 4.42Å; V1052-W1079 HydrophobicContact CB-CZ2 4.43Å; V1052-W1079 HydrophobicContact CG1-CH2 4.1Å; V1052-W1079 HydrophobicContact CG1-CZ2 4.03Å; V1052-W1079 HydrophobicContact CG1-CZ3 4.46Å; V1052-W1079 HydrophobicContact CG2-CH2 3.93Å; V1052-W1079 HydrophobicContact CG2-CZ2 4.38Å; V1052-L1093 HydrophobicContact CG2-CD1 3.77Å |
| 1053 | C | 90.6 | Very high | 89.3 | Confident | 7 Ų | 7 | 40 Ų | 40 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 165.8 | 175 | 73.9 | 0 | 0 | 0 | 0 | 111.4 | C1031 L1038 D1055 C1056 Y1057 | C1031-C1053 HydrophobicContact CB-CB 4.11Å; C1031-C1053 PolarHBondContact SG-N 3.45Å; L1038-C1053 HydrophobicContact CD2-CB 3.71Å; C1053-D1055 PolarHBondContact O-N 2.91Å; C1053-C1056 PolarHBondContact SG-N 2.94Å; C1053-C1056 VanDerWaalsContact SG-N 3.39Å; C1053-Y1057 WeakPolarHBondContact O-CB 3.44Å; C1053-Y1057 PolarHBondContact O-N 3.07Å |
| 1054 | L | 88.4 | Confident | 87.4 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -49 | -40 | 175.5 | 178.5 | 58.6 | 0 | 0 | 0 | 113.3 | S1004 A1008 M1011 W1043 R1058 | S1004-L1054 WeakPolarHBondContact OG-CD2 3.44Å; A1008-L1054 HydrophobicContact CB-CD1 3.49Å; A1008-L1054 VanDerWaalsContact CB-CD1 3.49Å; A1008-L1054 HydrophobicContact CB-CD2 3.99Å; A1008-L1054 HydrophobicContact CB-CG 4.35Å; M1011-L1054 HydrophobicContact CE-CD1 3.36Å; W1043-L1054 HydrophobicContact CH2-CD1 4.12Å; W1043-L1054 HydrophobicContact CZ3-CD1 3.83Å; L1054-R1058 WeakPolarHBondContact O-CB 3.45Å; L1054-R1058 WeakPolarHBondContact O-CD 3.5Å; L1054-R1058 VanDerWaalsContact O-CG 3.25Å; L1054-R1058 WeakPolarHBondContact O-CG 3.16Å; L1054-R1058 PolarHBondContact O-N 3.06Å |
| 1055 | D | 86 | Confident | 85.4 | Confident | 51 Ų | 51 | 53.9 Ų | 53.9 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -80.5 | -45.8 | -168.7 | -48.3 | -48.2 | 0 | 0 | 0 | 110.7 | C1053 Y1057 R1058 L1059 R1721 K1737 | C1053-D1055 PolarHBondContact O-N 2.91Å; D1055-Y1057 VanDerWaalsContact C-N 3.32Å; D1055-Y1057 PolarHBondContact O-N 3.3Å; D1055-R1058 WeakPolarHBondContact O-CB 3.41Å; D1055-R1058 PolarHBondContact O-N 2.98Å; D1055-R1058 IonicContact OD1-NH1 2.8Å; D1055-L1059 PolarHBondContact O-N 2.8Å; D1055-R1721 IonicContact OD2-NH1 3.56Å; D1055-K1737 IonicContact OD2-NZ 3.66Å |
| 1056 | C | 88.2 | Confident | 82.9 | Confident | 16 Ų | 16 | 57 Ų | 57 | 11% | 0.108 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.7 | -39 | 169.4 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | V1033 V1052 C1053 L1059 R1060 W1079 | V1033-C1056 HydrophobicContact CB-CB 4.35Å; V1033-C1056 HydrophobicContact CG1-CB 4.3Å; V1052-C1056 HydrophobicContact CB-CB 4.35Å; C1053-C1056 PolarHBondContact SG-N 2.94Å; C1053-C1056 VanDerWaalsContact SG-N 3.39Å; C1056-L1059 PolarHBondContact O-N 2.79Å; C1056-R1060 PolarHBondContact O-N 2.72Å; C1056-W1079 WeakPolarHBondContact O-CZ2 3.12Å |
| 1057 | Y | 90.8 | Very high | 80.3 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 176.5 | -174.5 | -96.6 | 0 | 0 | 0 | 111.8 | W1043 V1052 C1053 D1055 K1061 P1090 L1093 | W1043-Y1057 HydrophobicContact CB-CD2 3.64Å; W1043-Y1057 HydrophobicContact CB-CE2 3.94Å; W1043-Y1057 HydrophobicContact CB-CG 4.35Å; W1043-Y1057 AromaticContact CD1-CD2 3.89Å; W1043-Y1057 AromaticContact CD1-CE2 3.38Å; W1043-Y1057 AromaticContact CD1-CZ 3.64Å; W1043-Y1057 AromaticContact CD2-CD1 3.79Å; W1043-Y1057 HydrophobicContact CD2-CD1 3.79Å; W1043-Y1057 AromaticContact CD2-CD2 3.68Å; W1043-Y1057 HydrophobicContact CD2-CD2 3.68Å; W1043-Y1057 AromaticContact CD2-CE1 3.98Å; W1043-Y1057 HydrophobicContact CD2-CE1 3.98Å; W1043-Y1057 AromaticContact CD2-CE2 3.86Å; W1043-Y1057 HydrophobicContact CD2-CE2 3.86Å; W1043-Y1057 AromaticContact CD2-CG 3.64Å; W1043-Y1057 HydrophobicContact CD2-CG 3.64Å; W1043-Y1057 AromaticContact CE2-CD1 3.86Å; W1043-Y1057 AromaticContact CE2-CE1 3.63Å; W1043-Y1057 AromaticContact CE2-CZ 3.76Å; W1043-Y1057 AromaticContact CE3-CD1 3.85Å; W1043-Y1057 HydrophobicContact CE3-CD1 3.85Å; W1043-Y1057 HydrophobicContact CE3-CD2 4.11Å; W1043-Y1057 HydrophobicContact CE3-CE1 4.46Å; W1043-Y1057 AromaticContact CE3-CG 3.66Å; W1043-Y1057 HydrophobicContact CE3-CG 3.66Å; W1043-Y1057 HydrophobicContact CG-CD1 4.4Å; W1043-Y1057 AromaticContact CG-CD2 3.45Å; W1043-Y1057 HydrophobicContact CG-CD2 3.45Å; W1043-Y1057 VanDerWaalsContact CG-CD2 3.45Å; W1043-Y1057 HydrophobicContact CG-CE1 4.42Å; W1043-Y1057 AromaticContact CG-CE2 3.45Å; W1043-Y1057 HydrophobicContact CG-CE2 3.45Å; W1043-Y1057 VanDerWaalsContact CG-CE2 3.45Å; W1043-Y1057 AromaticContact CG-CG 3.96Å; W1043-Y1057 HydrophobicContact CG-CG 3.96Å; W1043-Y1057 AromaticContact CG-CZ 3.98Å; W1043-Y1057 HydrophobicContact CH2-CD1 4.13Å; W1043-Y1057 HydrophobicContact CH2-CE1 4.4Å; W1043-Y1057 HydrophobicContact CZ2-CD1 4.04Å; W1043-Y1057 AromaticContact CZ2-CE1 3.87Å; W1043-Y1057 HydrophobicContact CZ2-CE1 3.87Å; W1043-Y1057 HydrophobicContact CZ3-CD1 4.03Å; W1043-Y1057 HydrophobicContact CZ3-CG 4.25Å; W1043-Y1057 AromaticContact NE1-CE1 3.83Å; W1043-Y1057 AromaticContact NE1-CE2 3.74Å; W1043-Y1057 AromaticContact NE1-CZ 3.47Å; V1052-Y1057 HydrophobicContact CG2-CD2 4.12Å; C1053-Y1057 WeakPolarHBondContact O-CB 3.44Å; C1053-Y1057 PolarHBondContact O-N 3.07Å; D1055-Y1057 VanDerWaalsContact C-N 3.32Å; D1055-Y1057 PolarHBondContact O-N 3.3Å; Y1057-K1061 HydrophobicContact CE1-CD 3.69Å; Y1057-K1061 VanDerWaalsContact O-CB 3.24Å; Y1057-K1061 WeakPolarHBondContact O-CB 3.1Å; Y1057-K1061 PolarHBondContact O-N 3.23Å; Y1057-P1090 HydrophobicContact CD2-CB 4.35Å; Y1057-P1090 HydrophobicContact CE2-CB 3.63Å; Y1057-P1090 VanDerWaalsContact CE2-O 3.24Å; Y1057-P1090 WeakPolarHBondContact CE2-O 3.34Å; Y1057-P1090 PolarHBondContact OH-O 2.91Å; Y1057-L1093 HydrophobicContact CD2-CD1 4.4Å; Y1057-L1093 HydrophobicContact CE2-CD1 4.49Å |
| 1058 | R | 88.6 | Confident | 77.7 | Confident | 67 Ų | 67 | 61 Ų | 61 | 25% | 0.253 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.5 | -50.2 | 173.4 | -78.4 | 164 | 162.9 | 166.1 | -8.8 | 111.1 | E1007 M1011 L1054 D1055 R1060 K1061 S1062 | E1007-R1058 IonicContact OE2-NH2 3.58Å; E1007-R1058 PolarHBondContact OE2-NH2 2.73Å; M1011-R1058 HydrophobicContact CE-CG 3.9Å; M1011-R1058 HydrophobicContact SD-CG 4.19Å; L1054-R1058 WeakPolarHBondContact O-CB 3.45Å; L1054-R1058 WeakPolarHBondContact O-CD 3.5Å; L1054-R1058 VanDerWaalsContact O-CG 3.25Å; L1054-R1058 WeakPolarHBondContact O-CG 3.16Å; L1054-R1058 PolarHBondContact O-N 3.06Å; D1055-R1058 WeakPolarHBondContact O-CB 3.41Å; D1055-R1058 PolarHBondContact O-N 2.98Å; D1055-R1058 IonicContact OD1-NH1 2.8Å; R1058-R1060 PolarHBondContact O-N 3.38Å; R1058-K1061 PolarHBondContact O-N 3.02Å; R1058-S1062 WeakPolarHBondContact O-CB 3.38Å; R1058-S1062 PolarHBondContact O-N 2.9Å; R1058-S1062 PolarHBondContact O-OG 2.68Å |
| 1059 | L | 85 | Confident | 75.2 | Confident | 82 Ų | 82 | 66.6 Ų | 66.6 | 43% | 0.429 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.7 | -50.2 | -177.6 | -174.6 | 61.1 | 0 | 0 | 0 | 112 | D1055 C1056 K1061 S1062 R1063 F1255 | D1055-L1059 PolarHBondContact O-N 2.8Å; C1056-L1059 PolarHBondContact O-N 2.79Å; L1059-K1061 VanDerWaalsContact C-N 3.34Å; L1059-K1061 PolarHBondContact O-N 2.72Å; L1059-S1062 PolarHBondContact O-N 3.43Å; L1059-S1062 PolarHBondContact O-OG 2.7Å; L1059-R1063 PolarHBondContact O-N 2.92Å; L1059-F1255 HydrophobicContact CD1-CE1 4.08Å; L1059-F1255 HydrophobicContact CD1-CZ 3.99Å |
| 1060 | R | 86.6 | Confident | 72.4 | Confident | 69 Ų | 69 | 75 Ų | 75 | 26% | 0.26 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 177.9 | -161.6 | 78.1 | -170.4 | -177.1 | 11.5 | 112.6 | C1056 R1058 E1075 W1079 P1090 | C1056-R1060 PolarHBondContact O-N 2.72Å; R1058-R1060 PolarHBondContact O-N 3.38Å; R1060-E1075 IonicContact CZ-OE1 3.21Å; R1060-E1075 IonicContact CZ-OE2 3.76Å; R1060-E1075 IonicContact NH1-OE1 2.67Å; R1060-E1075 PolarHBondContact NH1-OE1 2.98Å; R1060-E1075 IonicContact NH1-OE2 3.49Å; R1060-E1075 PolarHBondContact NH1-OE2 3.14Å; R1060-E1075 IonicContact NH2-OE1 2.81Å; R1060-E1075 PolarHBondContact NH2-OE1 3.38Å; R1060-E1075 IonicContact NH2-OE2 2.71Å; R1060-E1075 PolarHBondContact NH2-OE2 2.98Å; R1060-W1079 HydrophobicContact CB-CH2 3.62Å; R1060-W1079 HydrophobicContact CB-CZ2 3.36Å; R1060-W1079 HydrophobicContact CB-CZ3 4.31Å; R1060-W1079 HydrophobicContact CG-CD2 4.15Å; R1060-W1079 HydrophobicContact CG-CE3 4.2Å; R1060-W1079 HydrophobicContact CG-CH2 3.9Å; R1060-W1079 HydrophobicContact CG-CZ2 3.83Å; R1060-W1079 HydrophobicContact CG-CZ3 4.08Å; R1060-P1090 HydrophobicContact CB-CG 4.23Å; R1060-P1090 HydrophobicContact CG-CG 4.02Å |
| 1061 | K | 86.6 | Confident | 69.4 | Low | 91 Ų | 91 | 83.9 Ų | 83.9 | 40% | 0.396 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -75.9 | -20.2 | 178.5 | -169.5 | 165.8 | -172.3 | 168.1 | 0 | 113.9 | Y1057 R1058 L1059 P1090 | Y1057-K1061 HydrophobicContact CE1-CD 3.69Å; Y1057-K1061 VanDerWaalsContact O-CB 3.24Å; Y1057-K1061 WeakPolarHBondContact O-CB 3.1Å; Y1057-K1061 PolarHBondContact O-N 3.23Å; R1058-K1061 PolarHBondContact O-N 3.02Å; L1059-K1061 VanDerWaalsContact C-N 3.34Å; L1059-K1061 PolarHBondContact O-N 2.72Å; K1061-P1090 HydrophobicContact CB-CB 4.34Å; K1061-P1090 HydrophobicContact CB-CG 4.46Å |
| 1062 | S | 80.1 | Confident | 66.6 | Low | 63 Ų | 63 | 86.4 Ų | 86.4 | 44% | 0.441 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -87.5 | -12.2 | 176.4 | 63.6 | 0 | 0 | 0 | 0 | 114.7 | R1058 L1059 | R1058-S1062 WeakPolarHBondContact O-CB 3.38Å; R1058-S1062 PolarHBondContact O-N 2.9Å; R1058-S1062 PolarHBondContact O-OG 2.68Å; L1059-S1062 PolarHBondContact O-N 3.43Å; L1059-S1062 PolarHBondContact O-OG 2.7Å |
| 1063 | R | 74 | Confident | 63.8 | Low | 107 Ų | 107 | 94.1 Ų | 94.1 | 40% | 0.404 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -67.2 | 125.1 | 179.3 | -164.2 | 171.4 | -171.1 | -115.5 | -17 | 110 | L1059 R1065 E1069 E1075 | L1059-R1063 PolarHBondContact O-N 2.92Å; R1063-R1065 PolarHBondContact O-N 3.12Å; R1063-E1069 IonicContact CZ-OE1 3.56Å; R1063-E1069 IonicContact NH1-OE1 2.66Å; R1063-E1069 PolarHBondContact NH1-OE1 2.8Å; R1063-E1069 IonicContact NH1-OE2 3.4Å; R1063-E1069 IonicContact NH2-OE1 3.96Å; R1063-E1069 PolarHBondContact NH2-OE1 3.15Å; R1063-E1075 IonicContact CZ-OE1 2.79Å; R1063-E1075 IonicContact NE-OE1 3.67Å; R1063-E1075 IonicContact NH1-OE1 3.68Å; R1063-E1075 PolarHBondContact NH1-OE1 3.38Å |
| 1064 | P | 55.2 | Low | 61.5 | Low | 107 Ų | 107 | 102.2 Ų | 102.2 | 70% | 0.695 | 52% | 0.519 | S | S | * | . | trans | -60.3 | 134.4 | 176.9 | -24.3 | 34.7 | 0 | 0 | 0 | 111.5 | S1066 | P1064-S1066 VanDerWaalsContact C-N 3.29Å; P1064-S1066 PolarHBondContact O-N 3.19Å | ||
| 1065 | R | 52.9 | Low | 59.7 | Low | 193 Ų | 193 | 105 Ų | 105 | 73% | 0.728 | 53% | 0.531 | S | S | * | . | trans | -82.9 | 71.2 | -179.6 | -160 | -178.2 | -135.4 | 156.6 | 12.6 | 110.9 | R1063 E1089 | R1063-R1065 PolarHBondContact O-N 3.12Å; R1065-E1089 IonicContact CZ-OE2 3.65Å; R1065-E1089 IonicContact NH2-OE2 2.94Å; R1065-E1089 PolarHBondContact NH2-OE2 2.94Å | ||
| 1066 | S | 41.5 | Very low | 58 | Low | 74 Ų | 74 | 106.6 Ų | 106.6 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | trans | -74.6 | 122.7 | 176.2 | 42.6 | 0 | 0 | 0 | 0 | 111.5 | P1064 T1068 | P1064-S1066 VanDerWaalsContact C-N 3.29Å; P1064-S1066 PolarHBondContact O-N 3.19Å; S1066-T1068 PolarHBondContact O-N 3.09Å | ||
| 1067 | E | 38.3 | Very low | 56.5 | Low | 196 Ų | 196 | 109.1 Ų | 109.1 | 92% | 0.916 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -78.5 | 38 | -177.3 | -57.9 | -177.8 | 132.5 | 0 | 0 | 112.9 | ||
| 1068 | T | 36.8 | Very low | 55.3 | Low | 120 Ų | 120 | 111.3 Ų | 111.3 | 74% | 0.736 | 57% | 0.568 | S | S | * | * | trans | -155.4 | 79.7 | -176.9 | -45.8 | 0 | 0 | 0 | 0 | 110.5 | S1066 | S1066-T1068 PolarHBondContact O-N 3.09Š| ||
| 1069 | E | 39.9 | Very low | 55.1 | Low | 131 Ų | 131 | 109.2 Ų | 109.2 | 61% | 0.612 | 56% | 0.56 | S | S | * | * | trans | -113.8 | 67.2 | 169.2 | -67.8 | -166.6 | 132.4 | 0 | 0 | 110.1 | R1063 | R1063-E1069 IonicContact CZ-OE1 3.56Å; R1063-E1069 IonicContact NH1-OE1 2.66Å; R1063-E1069 PolarHBondContact NH1-OE1 2.8Å; R1063-E1069 IonicContact NH1-OE2 3.4Å; R1063-E1069 IonicContact NH2-OE1 3.96Å; R1063-E1069 PolarHBondContact NH2-OE1 3.15Å | ||
| 1070 | E | 32.8 | Very low | 55 | Low | 181 Ų | 181 | 106.5 Ų | 106.5 | 85% | 0.846 | 55% | 0.546 | S | S | * | . | trans | -107.2 | 135.8 | 154.7 | -71.8 | -168.5 | 155.1 | 0 | 0 | 108.1 | ||||
| 1071 | M | 30.6 | Very low | 54.9 | Low | 189 Ų | 189 | 107.9 Ų | 107.9 | 93% | 0.931 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 69.3 | 118.9 | 172 | -157 | 70.9 | 158.5 | 0 | 0 | 117.3 | ||
| 1072 | G | 32.8 | Very low | 55 | Low | 56 Ų | 56 | 103.8 Ų | 103.8 | 58% | 0.577 | 54% | 0.536 | S | S | * | . | trans | 138.8 | -95.8 | 154 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1073 | D | 35.2 | Very low | 54.7 | Low | 163 Ų | 163 | 102.7 Ų | 102.7 | 87% | 0.872 | 53% | 0.531 | S | S | * | . | trans | -80.7 | 135.8 | -153 | -61.2 | -21.6 | 0 | 0 | 0 | 114.2 | E1075 | D1073-E1075 PolarHBondContact O-N 3.19Š| ||
| 1074 | E | 40.4 | Very low | 54.8 | Low | 177 Ų | 177 | 107.3 Ų | 107.3 | 83% | 0.827 | 55% | 0.554 | S | S | * | * | trans | -76.2 | 104.8 | 173.2 | -61.3 | -172.1 | 143.1 | 0 | 0 | 109.6 | V1076 | E1074-V1076 PolarHBondContact O-N 2.86Š| ||
| 1075 | E | 50.8 | Low | 55.9 | Low | 67 Ų | 67 | 104.5 Ų | 104.5 | 31% | 0.313 | 54% | 0.544 | S | S | . | . | trans | -61.7 | 96.4 | 172.8 | -83.8 | -156.9 | 155.8 | 0 | 0 | 110.1 | R1060 R1063 D1073 F1077 S1078 | R1060-E1075 IonicContact CZ-OE1 3.21Å; R1060-E1075 IonicContact CZ-OE2 3.76Å; R1060-E1075 IonicContact NH1-OE1 2.67Å; R1060-E1075 PolarHBondContact NH1-OE1 2.98Å; R1060-E1075 IonicContact NH1-OE2 3.49Å; R1060-E1075 PolarHBondContact NH1-OE2 3.14Å; R1060-E1075 IonicContact NH2-OE1 2.81Å; R1060-E1075 PolarHBondContact NH2-OE1 3.38Å; R1060-E1075 IonicContact NH2-OE2 2.71Å; R1060-E1075 PolarHBondContact NH2-OE2 2.98Å; R1063-E1075 IonicContact CZ-OE1 2.79Å; R1063-E1075 IonicContact NE-OE1 3.67Å; R1063-E1075 IonicContact NH1-OE1 3.68Å; R1063-E1075 PolarHBondContact NH1-OE1 3.38Å; D1073-E1075 PolarHBondContact O-N 3.19Å; E1075-F1077 PolarHBondContact O-N 3.28Å; E1075-S1078 PolarHBondContact O-N 3.28Å; E1075-S1078 VanDerWaalsContact O-N 3.07Å | ||
| 1076 | V | 50.2 | Low | 57.3 | Low | 85 Ų | 85 | 101.1 Ų | 101.1 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -30.8 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 112 | E1074 N1725 | E1074-V1076 PolarHBondContact O-N 2.86Å; V1076-N1725 WeakPolarHBondContact CG1-OD1 3.17Å; V1076-N1725 PolarHBondContact O-ND2 3.27Å |
| 1077 | F | 56.8 | Low | 59.5 | Low | 70 Ų | 70 | 101 Ų | 101 | 31% | 0.307 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 56 | 176 | -59.5 | -72.4 | 0 | 0 | 0 | 113.2 | V1033 E1075 W1079 N1725 | V1033-F1077 HydrophobicContact CG1-CB 4.29Å; V1033-F1077 HydrophobicContact CG1-CD1 4.31Å; E1075-F1077 PolarHBondContact O-N 3.28Å; F1077-W1079 VanDerWaalsContact O-CD1 3.29Å; F1077-W1079 PolarHBondContact O-N 2.97Å; F1077-N1725 WeakPolarHBondContact CE1-OD1 3.37Å; F1077-N1725 WeakPolarHBondContact CZ-OD1 3.36Å |
| 1078 | S | 66.6 | Low | 61.9 | Low | 49 Ų | 49 | 92.3 Ų | 92.3 | 34% | 0.343 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 116 | 172.5 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | E1075 | E1075-S1078 PolarHBondContact O-N 3.28Å; E1075-S1078 VanDerWaalsContact O-N 3.07Å |
| 1079 | W | 83.9 | Confident | 64.4 | Low | 24 Ų | 24 | 89.3 Ų | 89.3 | 9% | 0.091 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 126 | -178 | -79.1 | 19.3 | 0 | 0 | 0 | 112.5 | V1033 F1050 V1052 C1056 R1060 F1077 K1081 H1088 L1093 | V1033-W1079 HydrophobicContact CG2-CD2 4.43Å; V1033-W1079 HydrophobicContact CG2-CG 4.22Å; F1050-W1079 HydrophobicContact CE1-CD2 4.21Å; F1050-W1079 AromaticContact CE1-CE3 3.83Å; F1050-W1079 HydrophobicContact CE1-CE3 3.83Å; F1050-W1079 HydrophobicContact CE1-CZ3 4.26Å; F1050-W1079 HydrophobicContact CZ-CB 4.16Å; F1050-W1079 HydrophobicContact CZ-CD2 4.07Å; F1050-W1079 HydrophobicContact CZ-CE3 4.14Å; F1050-W1079 HydrophobicContact CZ-CG 4.11Å; V1052-W1079 HydrophobicContact CB-CH2 4.42Å; V1052-W1079 HydrophobicContact CB-CZ2 4.43Å; V1052-W1079 HydrophobicContact CG1-CH2 4.1Å; V1052-W1079 HydrophobicContact CG1-CZ2 4.03Å; V1052-W1079 HydrophobicContact CG1-CZ3 4.46Å; V1052-W1079 HydrophobicContact CG2-CH2 3.93Å; V1052-W1079 HydrophobicContact CG2-CZ2 4.38Å; C1056-W1079 WeakPolarHBondContact O-CZ2 3.12Å; R1060-W1079 HydrophobicContact CB-CH2 3.62Å; R1060-W1079 HydrophobicContact CB-CZ2 3.36Å; R1060-W1079 HydrophobicContact CB-CZ3 4.31Å; R1060-W1079 HydrophobicContact CG-CD2 4.15Å; R1060-W1079 HydrophobicContact CG-CE3 4.2Å; R1060-W1079 HydrophobicContact CG-CH2 3.9Å; R1060-W1079 HydrophobicContact CG-CZ2 3.83Å; R1060-W1079 HydrophobicContact CG-CZ3 4.08Å; F1077-W1079 VanDerWaalsContact O-CD1 3.29Å; F1077-W1079 PolarHBondContact O-N 2.97Å; W1079-K1081 PolarHBondContact O-N 3.06Å; W1079-H1088 HydrophobicContact CE3-CB 3.93Å; W1079-H1088 HydrophobicContact CZ3-CB 4.44Å; W1079-H1088 WeakPolarHBondContact CZ3-O 3.3Å; W1079-L1093 HydrophobicContact CH2-CD1 4.31Å; W1079-L1093 HydrophobicContact CZ3-CD1 3.9Å |
| 1080 | L | 83 | Confident | 66.7 | Low | 25 Ų | 25 | 83.5 Ų | 83.5 | 13% | 0.131 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 133.3 | -179.9 | -68.2 | 169.9 | 0 | 0 | 0 | 113.5 | S813 R915 F1050 H1088 | S813-L1080 WeakPolarHBondContact OG-CD1 3.48Å; R915-L1080 VanDerWaalsContact NH2-CD1 3.31Å; F1050-L1080 HydrophobicContact CD2-CB 4.33Å; F1050-L1080 HydrophobicContact CE2-CB 4.02Å; L1080-H1088 PolarHBondContact O-CE1 3.41Å; L1080-H1088 PolarHBondContact O-ND1 3.02Å |
| 1081 | K | 85.7 | Confident | 69.2 | Low | 97 Ų | 97 | 79.2 Ų | 79.2 | 42% | 0.422 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 143.8 | -176 | -63.2 | 156.9 | -166 | 151.3 | 0 | 112.6 | D811 W1079 | D811-K1081 WeakPolarHBondContact OD2-CD 3.32Å; D811-K1081 WeakPolarHBondContact OD2-CE 3.46Å; D811-K1081 IonicContact OD2-NZ 2.67Å; D811-K1081 PolarHBondContact OD2-NZ 3.21Å; W1079-K1081 PolarHBondContact O-N 3.06Å |
| 1082 | C | 87.5 | Confident | 72 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 4% | 0.041 | 41% | 0.412 | C | S | . | . | trans | -73.8 | -177 | -177.2 | -157.7 | 0 | 0 | 0 | 0 | 113.2 | C1045 K1084 G1085 Q1086 H1088 | C1045-C1082 VanDerWaalsContact SG-SG 3.67Å; C1082-K1084 PolarHBondContact O-N 3.39Å; C1082-G1085 PolarHBondContact O-N 3.31Å; C1082-Q1086 HydrophobicContact CB-CB 4.28Å; C1082-Q1086 VanDerWaalsContact CB-O 3.24Å; C1082-Q1086 WeakPolarHBondContact CB-O 3.42Å; C1082-Q1086 PolarHBondContact N-O 3.16Å; C1082-H1088 WeakPolarHBondContact CB-NE2 3.42Å; C1082-H1088 PolarHBondContact SG-NE2 2.98Å | ||
| 1083 | A | 74.2 | Confident | 74.9 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 130.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1084 | K | 75.3 | Confident | 77.7 | Confident | 203 Ų | 203 | 65.4 Ų | 65.4 | 88% | 0.883 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 22.4 | -167 | -50.6 | -174.6 | 176.6 | -173.3 | 0 | 115.8 | C1082 Q1086 | C1082-K1084 PolarHBondContact O-N 3.39Å; K1084-Q1086 VanDerWaalsContact C-N 3.25Å; K1084-Q1086 PolarHBondContact O-N 2.56Å |
| 1085 | G | 78.4 | Confident | 80.3 | Confident | 48 Ų | 48 | 57 Ų | 57 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 73.1 | 10.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | C1082 | C1082-G1085 PolarHBondContact O-N 3.31Š|
| 1086 | Q | 82.5 | Confident | 82.4 | Confident | 122 Ų | 122 | 53.8 Ų | 53.8 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | trans | -72.5 | 143.9 | 178.9 | -58.1 | -76.8 | -96.7 | 0 | 0 | 111 | C1082 K1084 | C1082-Q1086 HydrophobicContact CB-CB 4.28Å; C1082-Q1086 VanDerWaalsContact CB-O 3.24Å; C1082-Q1086 WeakPolarHBondContact CB-O 3.42Å; C1082-Q1086 PolarHBondContact N-O 3.16Å; K1084-Q1086 VanDerWaalsContact C-N 3.25Å; K1084-Q1086 PolarHBondContact O-N 2.56Å | ||
| 1087 | S | 87.1 | Confident | 84.5 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 51% | 0.51 | 27% | 0.267 | S | S | . | . | trans | -62.9 | 163.3 | 170.5 | 59 | 0 | 0 | 0 | 0 | 112.1 | E1089 | S1087-E1089 WeakPolarHBondContact CB-OE1 3.47Å; S1087-E1089 PolarHBondContact OG-OE1 3.5Å | ||
| 1088 | H | 90.1 | Very high | 86.2 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | trans | -102.5 | 80.5 | 172.5 | -76.6 | 118.5 | 0 | 0 | 0 | 110.4 | C1045 C1048 F1050 W1079 L1080 C1082 L1093 | C1045-H1088 PolarHBondContact SG-NE2 2.87Å; C1048-H1088 PolarHBondContact SG-NE2 2.93Å; F1050-H1088 HydrophobicContact CD1-CB 4Å; F1050-H1088 AromaticContact CD1-CD2 4Å; F1050-H1088 AromaticContact CD1-CE1 3.85Å; F1050-H1088 AromaticContact CD1-CG 3.59Å; F1050-H1088 AromaticContact CD1-ND1 3.5Å; F1050-H1088 HydrophobicContact CE1-CB 3.84Å; F1050-H1088 AromaticContact CE1-CG 3.89Å; F1050-H1088 AromaticContact CE1-ND1 3.83Å; F1050-H1088 AromaticContact CG-CE1 3.6Å; F1050-H1088 AromaticContact CG-ND1 3.62Å; W1079-H1088 HydrophobicContact CE3-CB 3.93Å; W1079-H1088 HydrophobicContact CZ3-CB 4.44Å; W1079-H1088 WeakPolarHBondContact CZ3-O 3.3Å; L1080-H1088 PolarHBondContact O-CE1 3.41Å; L1080-H1088 PolarHBondContact O-ND1 3.02Å; C1082-H1088 WeakPolarHBondContact CB-NE2 3.42Å; C1082-H1088 PolarHBondContact SG-NE2 2.98Å; H1088-L1093 HydrophobicContact CB-CD2 4.35Å | ||
| 1089 | E | 88.3 | Confident | 87.4 | Confident | 57 Ų | 57 | 44.9 Ų | 44.9 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | trans | -63.5 | 138 | 175.6 | -52.5 | -61 | 105.2 | 0 | 0 | 111.4 | R1065 S1087 E1091 N1092 | R1065-E1089 IonicContact CZ-OE2 3.65Å; R1065-E1089 IonicContact NH2-OE2 2.94Å; R1065-E1089 PolarHBondContact NH2-OE2 2.94Å; S1087-E1089 WeakPolarHBondContact CB-OE1 3.47Å; S1087-E1089 PolarHBondContact OG-OE1 3.5Å; E1089-E1091 PolarHBondContact O-N 3.34Å; E1089-E1091 VanDerWaalsContact O-N 3.1Å; E1089-N1092 PolarHBondContact O-N 2.86Å | ||
| 1090 | P | 88.9 | Confident | 87.7 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 7% | 0.065 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -27 | -178.8 | -28 | 36.5 | 0 | 0 | 0 | 115.6 | Y1057 R1060 K1061 N1092 | Y1057-P1090 HydrophobicContact CD2-CB 4.35Å; Y1057-P1090 HydrophobicContact CE2-CB 3.63Å; Y1057-P1090 VanDerWaalsContact CE2-O 3.24Å; Y1057-P1090 WeakPolarHBondContact CE2-O 3.34Å; Y1057-P1090 PolarHBondContact OH-O 2.91Å; R1060-P1090 HydrophobicContact CB-CG 4.23Å; R1060-P1090 HydrophobicContact CG-CG 4.02Å; K1061-P1090 HydrophobicContact CB-CB 4.34Å; K1061-P1090 HydrophobicContact CB-CG 4.46Å; P1090-N1092 VanDerWaalsContact C-N 3.34Å |
| 1091 | E | 86 | Confident | 87.8 | Confident | 90 Ų | 90 | 43.8 Ų | 43.8 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.9 | 179.4 | -56.5 | 67 | -134.8 | 0 | 0 | 112.1 | E1089 | E1089-E1091 PolarHBondContact O-N 3.34Å; E1089-E1091 VanDerWaalsContact O-N 3.1Å |
| 1092 | N | 89.1 | Confident | 87.9 | Confident | 116 Ų | 116 | 42.8 Ų | 42.8 | 62% | 0.62 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -9.1 | -176.8 | -79.5 | -70.7 | 0 | 0 | 0 | 113.6 | E1089 P1090 | E1089-N1092 PolarHBondContact O-N 2.86Å; P1090-N1092 VanDerWaalsContact C-N 3.34Å |
| 1093 | L | 93.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -84.3 | 144.2 | 174.9 | -55.8 | -178.9 | 0 | 0 | 0 | 110.8 | Q1016 W1043 C1045 F1050 V1052 Y1057 W1079 H1088 | Q1016-L1093 PolarHBondContact NE2-O 3.35Å; W1043-L1093 HydrophobicContact CB-CB 3.82Å; W1043-L1093 HydrophobicContact CB-CD1 3.99Å; W1043-L1093 HydrophobicContact CG-CB 4.43Å; C1045-L1093 HydrophobicContact CB-CD2 3.74Å; F1050-L1093 HydrophobicContact CD1-CD2 4.44Å; V1052-L1093 HydrophobicContact CG2-CD1 3.77Å; Y1057-L1093 HydrophobicContact CD2-CD1 4.4Å; Y1057-L1093 HydrophobicContact CE2-CD1 4.49Å; W1079-L1093 HydrophobicContact CH2-CD1 4.31Å; W1079-L1093 HydrophobicContact CZ3-CD1 3.9Å; H1088-L1093 HydrophobicContact CB-CD2 4.35Å |
| 1094 | M | 93.6 | Very high | 89 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.1 | 176.5 | 81.8 | -167.7 | 144.6 | 0 | 0 | 111.2 | F942 F958 A1019 W1043 V1044 R1046 T1096 | F942-M1094 HydrophobicContact CE1-CE 3.73Å; F942-M1094 HydrophobicContact CZ-CE 3.57Å; F958-M1094 HydrophobicContact CD1-CE 3.98Å; F958-M1094 HydrophobicContact CD2-CE 3.97Å; F958-M1094 HydrophobicContact CD2-SD 3.61Å; F958-M1094 HydrophobicContact CE1-CE 3.87Å; F958-M1094 HydrophobicContact CE2-CE 3.87Å; F958-M1094 HydrophobicContact CE2-SD 3.81Å; F958-M1094 HydrophobicContact CG-CE 4.04Å; F958-M1094 HydrophobicContact CG-SD 4.04Å; F958-M1094 HydrophobicContact CZ-CE 3.82Å; F958-M1094 HydrophobicContact CZ-SD 4.38Å; A1019-M1094 HydrophobicContact CB-CG 4.41Å; A1019-M1094 HydrophobicContact CB-SD 4.07Å; W1043-M1094 CarbonylContact C-O 3.56Å; W1043-M1094 WeakPolarHBondContact CA-O 3.37Å; V1044-M1094 HydrophobicContact CB-CE 3.94Å; V1044-M1094 HydrophobicContact CB-CG 4.39Å; V1044-M1094 HydrophobicContact CG1-CE 3.94Å; V1044-M1094 PolarHBondContact N-O 2.84Å; V1044-M1094 WeakPolarHBondContact O-CG 3.24Å; V1044-M1094 PolarHBondContact O-N 3.37Å; R1046-M1094 HydrophobicContact CG-CB 4.16Å; R1046-M1094 HydrophobicContact CG-CE 3.99Å; R1046-M1094 HydrophobicContact CG-CG 4.23Å; R1046-M1094 HydrophobicContact CG-SD 3.5Å; R1046-M1094 WeakPolarHBondContact CG-SD 3.4Å; M1094-T1096 PolarHBondContact O-N 3.32Å; M1094-T1096 PolarHBondContact O-OG1 3.32Å |
| 1095 | P | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 134.2 | 170 | 28.2 | -34.8 | 0 | 0 | 0 | 108.9 | V1012 Q1016 V1018 A1019 | V1012-P1095 HydrophobicContact CG1-CB 4.3Å; V1012-P1095 HydrophobicContact CG1-CG 3.78Å; V1012-P1095 HydrophobicContact CG2-CB 3.61Å; V1012-P1095 HydrophobicContact CG2-CG 4.04Å; Q1016-P1095 HydrophobicContact CG-CG 4.02Å; V1018-P1095 WeakPolarHBondContact CA-O 3.25Å; V1018-P1095 HydrophobicContact CG2-CB 4.27Å; V1018-P1095 HydrophobicContact CG2-CG 4.18Å; A1019-P1095 PolarHBondContact N-O 2.77Å |
| 1096 | T | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.2 | -174.6 | -53.4 | 0 | 0 | 0 | 0 | 108.2 | F942 A1019 K1021 I1041 H1042 V1044 M1094 | F942-T1096 HydrophobicContact CE2-CG2 3.84Å; F942-T1096 HydrophobicContact CZ-CG2 3.63Å; A1019-T1096 HydrophobicContact CB-CG2 4.22Å; A1019-T1096 CarbonylContact O-C 3.54Å; A1019-T1096 VanDerWaalsContact O-CA 3.27Å; A1019-T1096 WeakPolarHBondContact O-CA 3.4Å; K1021-T1096 HydrophobicContact CB-CG2 3.8Å; I1041-T1096 WeakPolarHBondContact CA-O 3.43Å; H1042-T1096 PolarHBondContact N-O 3.19Å; H1042-T1096 PolarHBondContact ND1-O 2.84Å; H1042-T1096 VanDerWaalsContact ND1-O 3.09Å; H1042-T1096 PolarHBondContact O-N 3.48Å; H1042-T1096 VanDerWaalsContact O-O 3.13Å; V1044-T1096 HydrophobicContact CG2-CG2 4.36Å; M1094-T1096 PolarHBondContact O-N 3.32Å; M1094-T1096 PolarHBondContact O-OG1 3.32Å |
| 1097 | Q | 93.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 152.9 | 174.1 | 71.2 | -176.2 | 78.7 | 0 | 0 | 111 | P961 V1018 A1019 W1020 K1021 N1040 I1041 I1099 G1101 | P961-Q1097 HydrophobicContact CB-CG 4.41Å; P961-Q1097 HydrophobicContact CG-CG 3.8Å; V1018-Q1097 HydrophobicContact CG1-CB 4.19Å; V1018-Q1097 HydrophobicContact CG1-CG 4.06Å; A1019-Q1097 PolarHBondContact O-N 2.84Å; W1020-Q1097 CarbonylContact C-O 3.58Å; W1020-Q1097 WeakPolarHBondContact CA-O 3.44Å; W1020-Q1097 VanDerWaalsContact CD1-O 3.29Å; K1021-Q1097 PolarHBondContact N-O 2.98Å; N1040-Q1097 WeakPolarHBondContact O-CA 3.42Å; N1040-Q1097 WeakPolarHBondContact OD1-CB 3.26Å; I1041-Q1097 HydrophobicContact CD1-CB 3.73Å; Q1097-I1099 PolarHBondContact NE2-O 2.77Å; Q1097-G1101 PolarHBondContact NE2-O 3.38Å; Q1097-G1101 VanDerWaalsContact NE2-O 3.1Å |
| 1098 | I | 93.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -103.8 | -40.8 | 178 | -57.4 | 177.1 | 0 | 0 | 0 | 110.5 | W972 W1020 A1023 E1029 L1038 N1040 | W972-I1098 HydrophobicContact CH2-CG2 4.25Å; W972-I1098 HydrophobicContact CZ2-CG2 3.9Å; W1020-I1098 PolarHBondContact NE1-O 3.47Å; A1023-I1098 HydrophobicContact CB-CG2 4.25Å; E1029-I1098 HydrophobicContact CB-CD1 4.12Å; E1029-I1098 HydrophobicContact CG-CD1 4.3Å; L1038-I1098 HydrophobicContact CB-CD1 3.98Å; L1038-I1098 VanDerWaalsContact O-CD1 3.3Å; L1038-I1098 WeakPolarHBondContact O-CD1 3.47Å; N1040-I1098 PolarHBondContact O-N 2.85Å; N1040-I1098 PolarHBondContact OD1-N 2.82Å; N1040-I1098 VanDerWaalsContact OD1-N 3.08Å |
| 1099 | I | 92.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -73.2 | 125.9 | 175.3 | -53.6 | 179.5 | 0 | 0 | 0 | 107.9 | W972 F1039 N1040 Q1097 A1103 L1104 Y1741 | W972-I1099 HydrophobicContact CB-CG2 4.28Å; W972-I1099 HydrophobicContact CD2-CB 4.44Å; W972-I1099 HydrophobicContact CD2-CG1 4.19Å; W972-I1099 HydrophobicContact CD2-CG2 4.16Å; W972-I1099 HydrophobicContact CE3-CB 4.41Å; W972-I1099 HydrophobicContact CE3-CD1 4.21Å; W972-I1099 HydrophobicContact CE3-CG1 3.73Å; W972-I1099 HydrophobicContact CE3-CG2 4.2Å; W972-I1099 HydrophobicContact CG-CG2 4.22Å; W972-I1099 HydrophobicContact CH2-CG1 3.98Å; W972-I1099 HydrophobicContact CZ2-CG1 4.42Å; W972-I1099 HydrophobicContact CZ3-CD1 4.08Å; W972-I1099 HydrophobicContact CZ3-CG1 3.63Å; F1039-I1099 HydrophobicContact CE1-CD1 4.47Å; F1039-I1099 HydrophobicContact CE2-CD1 4.36Å; F1039-I1099 HydrophobicContact CZ-CD1 4.08Å; N1040-I1099 HydrophobicContact CB-CD1 3.79Å; N1040-I1099 HydrophobicContact CB-CG1 3.87Å; N1040-I1099 VanDerWaalsContact OD1-CB 3.31Å; N1040-I1099 WeakPolarHBondContact OD1-CB 3.48Å; N1040-I1099 WeakPolarHBondContact OD1-CG1 3.34Å; N1040-I1099 PolarHBondContact OD1-N 2.82Å; Q1097-I1099 PolarHBondContact NE2-O 2.77Å; I1099-A1103 HydrophobicContact CG2-CB 3.89Å; I1099-L1104 HydrophobicContact CD1-CB 4.1Å; I1099-L1104 HydrophobicContact CD1-CD1 4.26Å; I1099-L1104 HydrophobicContact CD1-CD2 4.45Å; I1099-L1104 HydrophobicContact CG2-CB 4.28Å; I1099-Y1741 HydrophobicContact CD1-CD2 4.05Å; I1099-Y1741 HydrophobicContact CD1-CE2 3.73Å |
| 1100 | P | 89.1 | Confident | 91.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -75.8 | 149.3 | -174.8 | 29.6 | -34.4 | 0 | 0 | 0 | 113 | M969 W972 W1020 T1102 A1103 | M969-P1100 HydrophobicContact CE-CB 3.8Å; M969-P1100 HydrophobicContact CE-CG 3.99Å; M969-P1100 HydrophobicContact SD-CB 4.37Å; M969-P1100 HydrophobicContact SD-CG 3.89Å; W972-P1100 HydrophobicContact CG-CG 4.27Å; W1020-P1100 HydrophobicContact CZ2-CB 4.19Å; P1100-T1102 PolarHBondContact O-N 3.3Å; P1100-A1103 PolarHBondContact O-N 2.65Å | ||
| 1101 | G | 84.9 | Confident | 92.2 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 27% | 0.268 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -124 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P961 Q1097 | P961-G1101 PolarHBondContact O-N 3.24Å; Q1097-G1101 PolarHBondContact NE2-O 3.38Å; Q1097-G1101 VanDerWaalsContact NE2-O 3.1Å |
| 1102 | T | 88.6 | Confident | 92.6 | Very high | 76 Ų | 76 | 25.9 Ų | 25.9 | 47% | 0.466 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 15.1 | 179 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | P1100 L1104 Y1105 N1106 | P1100-T1102 PolarHBondContact O-N 3.3Å; T1102-L1104 VanDerWaalsContact C-N 3.29Å; T1102-L1104 PolarHBondContact O-N 2.78Å; T1102-L1104 VanDerWaalsContact O-N 3.12Å; T1102-Y1105 PolarHBondContact O-N 2.9Å; T1102-N1106 WeakPolarHBondContact CB-OD1 3.49Å; T1102-N1106 VanDerWaalsContact O-CG 3.25Å; T1102-N1106 PolarHBondContact O-N 2.94Å; T1102-N1106 PolarHBondContact O-OD1 3.31Å; T1102-N1106 VanDerWaalsContact OG1-CG 3.28Å; T1102-N1106 PolarHBondContact OG1-ND2 2.75Å; T1102-N1106 VanDerWaalsContact OG1-ND2 3.1Å; T1102-N1106 PolarHBondContact OG1-OD1 3.39Å |
| 1103 | A | 92.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.1 | -39.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M969 W972 I973 I1099 P1100 Y1105 N1106 I1107 | M969-A1103 HydrophobicContact SD-CB 4.16Å; W972-A1103 HydrophobicContact CB-CB 4.22Å; I973-A1103 HydrophobicContact CG2-CB 4Å; I1099-A1103 HydrophobicContact CG2-CB 3.89Å; P1100-A1103 PolarHBondContact O-N 2.65Å; A1103-Y1105 PolarHBondContact O-N 3.01Å; A1103-N1106 PolarHBondContact O-N 3.25Å; A1103-I1107 WeakPolarHBondContact O-CG1 3.4Å; A1103-I1107 PolarHBondContact O-N 3.27Å |
| 1104 | L | 93.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.4 | -49.3 | 173.2 | 176.6 | 66.2 | 0 | 0 | 0 | 112.8 | F998 V1002 E1005 F1039 I1099 T1102 I1107 G1108 Y1741 | F998-L1104 HydrophobicContact CE2-CD1 4.3Å; F998-L1104 HydrophobicContact CZ-CD1 4.06Å; V1002-L1104 HydrophobicContact CG2-CD1 3.8Å; V1002-L1104 HydrophobicContact CG2-CG 4.09Å; E1005-L1104 HydrophobicContact CB-CD2 3.61Å; E1005-L1104 HydrophobicContact CG-CD2 3.73Å; F1039-L1104 HydrophobicContact CE1-CD1 4.44Å; F1039-L1104 HydrophobicContact CZ-CD1 4.29Å; I1099-L1104 HydrophobicContact CD1-CB 4.1Å; I1099-L1104 HydrophobicContact CD1-CD1 4.26Å; I1099-L1104 HydrophobicContact CD1-CD2 4.45Å; I1099-L1104 HydrophobicContact CG2-CB 4.28Å; T1102-L1104 VanDerWaalsContact C-N 3.29Å; T1102-L1104 PolarHBondContact O-N 2.78Å; T1102-L1104 VanDerWaalsContact O-N 3.12Å; L1104-I1107 PolarHBondContact O-N 2.8Å; L1104-G1108 PolarHBondContact O-N 3.41Å; L1104-Y1741 HydrophobicContact CB-CE2 4.31Å; L1104-Y1741 HydrophobicContact CD1-CD2 3.81Å; L1104-Y1741 HydrophobicContact CD1-CE2 3.67Å |
| 1105 | Y | 93.2 | Very high | 92.8 | Very high | 51 Ų | 51 | 23 Ų | 23 | 20% | 0.2 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.8 | -40.2 | -180 | -55.4 | -63.1 | 0 | 0 | 0 | 111.5 | V1002 E1005 K1006 M1009 T1102 A1103 I1107 G1108 D1109 | V1002-Y1105 HydrophobicContact CG1-CD1 3.97Å; V1002-Y1105 HydrophobicContact CG1-CE1 4.33Å; E1005-Y1105 PolarHBondContact O-OH 3.3Å; K1006-Y1105 HydrophobicContact CB-CE1 4.15Å; M1009-Y1105 WeakPolarHBondContact CG-OH 3.11Å; T1102-Y1105 PolarHBondContact O-N 2.9Å; A1103-Y1105 PolarHBondContact O-N 3.01Å; Y1105-I1107 VanDerWaalsContact C-N 3.28Å; Y1105-I1107 PolarHBondContact O-N 2.8Å; Y1105-G1108 WeakPolarHBondContact O-CA 3.4Å; Y1105-G1108 PolarHBondContact O-N 3.24Å; Y1105-D1109 PolarHBondContact O-N 2.9Å |
| 1106 | N | 93 | Very high | 92.6 | Very high | 71 Ų | 71 | 26.2 Ų | 26.2 | 38% | 0.38 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.8 | -40.3 | 175.9 | -58.9 | -7 | 0 | 0 | 0 | 111.2 | T1102 A1103 M1110 | T1102-N1106 WeakPolarHBondContact CB-OD1 3.49Å; T1102-N1106 VanDerWaalsContact O-CG 3.25Å; T1102-N1106 PolarHBondContact O-N 2.94Å; T1102-N1106 PolarHBondContact O-OD1 3.31Å; T1102-N1106 VanDerWaalsContact OG1-CG 3.28Å; T1102-N1106 PolarHBondContact OG1-ND2 2.75Å; T1102-N1106 VanDerWaalsContact OG1-ND2 3.1Å; T1102-N1106 PolarHBondContact OG1-OD1 3.39Å; A1103-N1106 PolarHBondContact O-N 3.25Å; N1106-M1110 WeakPolarHBondContact O-CB 3.43Å; N1106-M1110 WeakPolarHBondContact O-CG 3.41Å; N1106-M1110 PolarHBondContact O-N 3.1Å; N1106-M1110 VanDerWaalsContact O-N 3.09Å |
| 1107 | I | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69 | -38.8 | 173.5 | -66.3 | -178.8 | 0 | 0 | 0 | 111 | W972 P974 F998 A1103 L1104 Y1105 D1109 M1110 V1111 Y1741 V1744 K1745 | W972-I1107 WeakPolarHBondContact O-CD1 3.48Å; P974-I1107 HydrophobicContact CG-CD1 4.31Å; P974-I1107 HydrophobicContact CG-CG1 4.42Å; F998-I1107 HydrophobicContact CE1-CB 4.43Å; F998-I1107 HydrophobicContact CE1-CG2 3.84Å; F998-I1107 HydrophobicContact CE2-CG2 4.12Å; F998-I1107 HydrophobicContact CZ-CB 3.9Å; F998-I1107 HydrophobicContact CZ-CG2 3.41Å; F998-I1107 VanDerWaalsContact CZ-CG2 3.41Å; A1103-I1107 WeakPolarHBondContact O-CG1 3.4Å; A1103-I1107 PolarHBondContact O-N 3.27Å; L1104-I1107 PolarHBondContact O-N 2.8Å; Y1105-I1107 VanDerWaalsContact C-N 3.28Å; Y1105-I1107 PolarHBondContact O-N 2.8Å; I1107-D1109 PolarHBondContact O-N 3.05Å; I1107-M1110 CarbonylContact O-C 3.59Å; I1107-M1110 WeakPolarHBondContact O-CA 3.13Å; I1107-M1110 PolarHBondContact O-N 2.71Å; I1107-M1110 VanDerWaalsContact O-N 3.1Å; I1107-V1111 HydrophobicContact CG2-CG2 4.05Å; I1107-V1111 VanDerWaalsContact O-CG2 3.3Å; I1107-V1111 WeakPolarHBondContact O-CG2 3.49Å; I1107-V1111 PolarHBondContact O-N 2.91Å; I1107-Y1741 HydrophobicContact CD1-CE1 4.07Å; I1107-Y1741 HydrophobicContact CD1-CE2 4.37Å; I1107-Y1741 WeakPolarHBondContact CD1-OH 3.29Å; I1107-V1744 HydrophobicContact CG2-CG1 4.12Å; I1107-K1745 HydrophobicContact CD1-CB 4.02Å; I1107-K1745 HydrophobicContact CD1-CG 3.8Å |
| 1108 | G | 94 | Very high | 92.3 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -52.6 | -50.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1104 Y1105 M1110 V1111 H1112 | L1104-G1108 PolarHBondContact O-N 3.41Å; Y1105-G1108 WeakPolarHBondContact O-CA 3.4Å; Y1105-G1108 PolarHBondContact O-N 3.24Å; G1108-M1110 VanDerWaalsContact C-N 3.31Å; G1108-M1110 PolarHBondContact O-N 2.65Å; G1108-V1111 PolarHBondContact O-N 3.46Å; G1108-H1112 PolarHBondContact O-CD2 2.93Å; G1108-H1112 PolarHBondContact O-N 3.03Å; G1108-H1112 VanDerWaalsContact O-N 3.15Å |
| 1109 | D | 94.1 | Very high | 92.1 | Very high | 105 Ų | 105 | 38.2 Ų | 38.2 | 56% | 0.561 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.4 | -38.2 | 176.1 | -68.3 | -34.6 | 0 | 0 | 0 | 111.8 | Y1105 I1107 H1112 A1113 | Y1105-D1109 PolarHBondContact O-N 2.9Å; I1107-D1109 PolarHBondContact O-N 3.05Å; D1109-H1112 PolarHBondContact O-N 3.44Å; D1109-A1113 WeakPolarHBondContact O-CB 3.27Å; D1109-A1113 PolarHBondContact O-N 3.32Å |
| 1110 | M | 93.6 | Very high | 92.1 | Very high | 38 Ų | 38 | 39 Ų | 39 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.5 | -31 | 176.5 | -70 | 173.1 | 26.2 | 0 | 0 | 113.7 | P974 N1106 I1107 G1108 A1113 A1114 V1748 K1752 | P974-M1110 HydrophobicContact CG-CE 3.7Å; N1106-M1110 WeakPolarHBondContact O-CB 3.43Å; N1106-M1110 WeakPolarHBondContact O-CG 3.41Å; N1106-M1110 PolarHBondContact O-N 3.1Å; N1106-M1110 VanDerWaalsContact O-N 3.09Å; I1107-M1110 CarbonylContact O-C 3.59Å; I1107-M1110 WeakPolarHBondContact O-CA 3.13Å; I1107-M1110 PolarHBondContact O-N 2.71Å; I1107-M1110 VanDerWaalsContact O-N 3.1Å; G1108-M1110 VanDerWaalsContact C-N 3.31Å; G1108-M1110 PolarHBondContact O-N 2.65Å; M1110-A1113 PolarHBondContact O-N 2.85Å; M1110-A1114 VanDerWaalsContact O-CB 3.23Å; M1110-A1114 WeakPolarHBondContact O-CB 3.18Å; M1110-A1114 PolarHBondContact O-N 3.28Å; M1110-V1748 HydrophobicContact CB-CG1 3.8Å; M1110-V1748 HydrophobicContact CE-CG1 3.5Å; M1110-V1748 VanDerWaalsContact CE-CG1 3.5Å; M1110-K1752 HydrophobicContact CE-CD 4Å; M1110-K1752 VanDerWaalsContact CG-NZ 3.35Å; M1110-K1752 PolarHBondContact SD-NZ 3.32Å |
| 1111 | V | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 173 | 165 | 0 | 0 | 0 | 0 | 110.1 | F998 I1107 G1108 A1114 R1115 V1744 V1748 | F998-V1111 HydrophobicContact CD1-CG2 4.11Å; F998-V1111 HydrophobicContact CE1-CG2 4.15Å; I1107-V1111 HydrophobicContact CG2-CG2 4.05Å; I1107-V1111 VanDerWaalsContact O-CG2 3.3Å; I1107-V1111 WeakPolarHBondContact O-CG2 3.49Å; I1107-V1111 PolarHBondContact O-N 2.91Å; G1108-V1111 PolarHBondContact O-N 3.46Å; V1111-A1114 PolarHBondContact O-N 3.39Å; V1111-R1115 VanDerWaalsContact O-CB 3.29Å; V1111-R1115 WeakPolarHBondContact O-CB 3.38Å; V1111-R1115 VanDerWaalsContact O-CG 3.28Å; V1111-R1115 WeakPolarHBondContact O-CG 3.16Å; V1111-R1115 PolarHBondContact O-N 3.31Å; V1111-V1744 HydrophobicContact CG2-CG1 3.29Å; V1111-V1748 HydrophobicContact CG2-CG2 3.72Å |
| 1112 | H | 94.6 | Very high | 92.2 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 174.9 | -66.3 | -55.7 | 0 | 0 | 0 | 112 | C999 G1108 D1109 G1116 C1126 | C999-H1112 VanDerWaalsContact SG-CE1 3.58Å; G1108-H1112 PolarHBondContact O-CD2 2.93Å; G1108-H1112 PolarHBondContact O-N 3.03Å; G1108-H1112 VanDerWaalsContact O-N 3.15Å; D1109-H1112 PolarHBondContact O-N 3.44Å; H1112-G1116 PolarHBondContact O-N 2.82Å; H1112-C1126 VanDerWaalsContact CE1-CB 3.43Å; H1112-C1126 WeakPolarHBondContact CE1-CB 3.37Å; H1112-C1126 WeakPolarHBondContact NE2-CB 3.26Å |
| 1113 | A | 93.1 | Very high | 92.1 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1109 M1110 K1117 | D1109-A1113 WeakPolarHBondContact O-CB 3.27Å; D1109-A1113 PolarHBondContact O-N 3.32Å; M1110-A1113 PolarHBondContact O-N 2.85Å; A1113-K1117 WeakPolarHBondContact O-CB 3.45Å; A1113-K1117 VanDerWaalsContact O-CG 3.31Å; A1113-K1117 WeakPolarHBondContact O-CG 3.16Å; A1113-K1117 PolarHBondContact O-N 3.42Å |
| 1114 | A | 92.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -48 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L991 M1110 V1111 G1116 K1117 W1118 L1751 | L991-A1114 HydrophobicContact CD1-CB 4.19Å; M1110-A1114 VanDerWaalsContact O-CB 3.23Å; M1110-A1114 WeakPolarHBondContact O-CB 3.18Å; M1110-A1114 PolarHBondContact O-N 3.28Å; V1111-A1114 PolarHBondContact O-N 3.39Å; A1114-G1116 VanDerWaalsContact C-N 3.33Å; A1114-G1116 PolarHBondContact O-N 2.06Å; A1114-K1117 PolarHBondContact O-N 3.36Å; A1114-W1118 WeakPolarHBondContact O-CB 3.46Å; A1114-W1118 VanDerWaalsContact O-CD1 3.25Å; A1114-W1118 PolarHBondContact O-N 3.21Å; A1114-L1751 HydrophobicContact CB-CD1 4.07Å |
| 1115 | R | 94 | Very high | 91.2 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 2% | 0.023 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 178 | -76.1 | 169.4 | 145.9 | -156.2 | -18.2 | 112 | L991 A992 D996 V1111 G1119 I1120 | L991-R1115 VanDerWaalsContact O-CZ 3.28Å; L991-R1115 PolarHBondContact O-NE 3.29Å; L991-R1115 PolarHBondContact O-NH2 3.05Å; A992-R1115 PolarHBondContact O-NH2 3.37Å; D996-R1115 IonicContact OD1-CZ 2.89Å; D996-R1115 VanDerWaalsContact OD1-CZ 3.27Å; D996-R1115 IonicContact OD1-NH1 2.67Å; D996-R1115 PolarHBondContact OD1-NH1 3.48Å; D996-R1115 IonicContact OD1-NH2 3.88Å; D996-R1115 PolarHBondContact OD1-NH2 2.77Å; D996-R1115 IonicContact OD2-NH2 3.39Å; V1111-R1115 VanDerWaalsContact O-CB 3.29Å; V1111-R1115 WeakPolarHBondContact O-CB 3.38Å; V1111-R1115 VanDerWaalsContact O-CG 3.28Å; V1111-R1115 WeakPolarHBondContact O-CG 3.16Å; V1111-R1115 PolarHBondContact O-N 3.31Å; R1115-G1119 PolarHBondContact O-N 2.67Å; R1115-G1119 VanDerWaalsContact O-N 3.15Å; R1115-I1120 HydrophobicContact CB-CB 4.17Å; R1115-I1120 HydrophobicContact CG-CB 3.97Å; R1115-I1120 HydrophobicContact CG-CD1 4.49Å; R1115-I1120 HydrophobicContact CG-CG2 4.1Å; R1115-I1120 PolarHBondContact O-N 3.34Å |
| 1116 | G | 91.7 | Very high | 90.7 | Very high | 66 Ų | 66 | 49.1 Ų | 49.1 | 68% | 0.68 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.7 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H1112 A1114 | H1112-G1116 PolarHBondContact O-N 2.82Å; A1114-G1116 VanDerWaalsContact C-N 3.33Å; A1114-G1116 PolarHBondContact O-N 2.06Å |
| 1117 | K | 91.5 | Very high | 89.5 | Confident | 141 Ų | 141 | 49.1 Ų | 49.1 | 61% | 0.613 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -69.5 | -42 | 176.9 | -76 | -178.9 | -179.1 | -163.5 | 0 | 113.5 | A1113 A1114 E1755 | A1113-K1117 WeakPolarHBondContact O-CB 3.45Å; A1113-K1117 VanDerWaalsContact O-CG 3.31Å; A1113-K1117 WeakPolarHBondContact O-CG 3.16Å; A1113-K1117 PolarHBondContact O-N 3.42Å; A1114-K1117 PolarHBondContact O-N 3.36Å; K1117-E1755 WeakPolarHBondContact CD-OE1 3.34Å; K1117-E1755 WeakPolarHBondContact CD-OE2 3.49Å; K1117-E1755 IonicContact NZ-OE2 3.55Å; K1117-E1755 PolarHBondContact NZ-OE2 3.29Å |
| 1118 | W | 90 | Very high | 87.7 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 21% | 0.208 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 7.4 | -171.9 | -69.3 | 95.8 | 0 | 0 | 0 | 113.8 | L984 A1114 I1120 L1751 H1754 E1755 L1758 | L984-W1118 HydrophobicContact CD1-CE3 4.4Å; L984-W1118 HydrophobicContact CD1-CH2 3.43Å; L984-W1118 VanDerWaalsContact CD1-CH2 3.43Å; L984-W1118 HydrophobicContact CD1-CZ2 3.85Å; L984-W1118 HydrophobicContact CD1-CZ3 3.76Å; L984-W1118 HydrophobicContact CD2-CH2 4.08Å; L984-W1118 HydrophobicContact CD2-CZ3 3.99Å; L984-W1118 HydrophobicContact CG-CH2 4.34Å; L984-W1118 HydrophobicContact CG-CZ3 4.31Å; A1114-W1118 WeakPolarHBondContact O-CB 3.46Å; A1114-W1118 VanDerWaalsContact O-CD1 3.25Å; A1114-W1118 PolarHBondContact O-N 3.21Å; W1118-I1120 HydrophobicContact CB-CD1 3.96Å; W1118-I1120 HydrophobicContact CB-CG1 3.94Å; W1118-I1120 PolarHBondContact O-N 3.44Å; W1118-L1751 HydrophobicContact CD2-CD2 4.28Å; W1118-L1751 HydrophobicContact CG-CD1 4.32Å; W1118-L1751 HydrophobicContact CG-CD2 4.45Å; W1118-L1751 HydrophobicContact CZ2-CD2 4.5Å; W1118-H1754 HydrophobicContact CZ2-CB 4.45Å; W1118-E1755 HydrophobicContact CZ2-CG 3.75Å; W1118-E1755 PolarHBondContact NE1-OE1 2.83Å; W1118-L1758 HydrophobicContact CH2-CD1 3.63Å; W1118-L1758 HydrophobicContact CZ2-CD1 4.35Å; W1118-L1758 HydrophobicContact CZ3-CD1 4.48Å |
| 1119 | G | 90.4 | Very high | 85.7 | Confident | 72 Ų | 72 | 61 Ų | 61 | 74% | 0.742 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 18.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1115 K1121 | R1115-G1119 PolarHBondContact O-N 2.67Å; R1115-G1119 VanDerWaalsContact O-N 3.15Å; G1119-K1121 PolarHBondContact O-N 3.12Å |
| 1120 | I | 91.9 | Very high | 83.5 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | trans | -79.5 | 122.6 | -175.6 | -52.7 | 170.4 | 0 | 0 | 0 | 108.6 | K988 L991 A992 R1115 W1118 A1122 L1751 | K988-I1120 HydrophobicContact CB-CD1 4.08Å; K988-I1120 HydrophobicContact CB-CG1 4.44Å; K988-I1120 HydrophobicContact CG-CD1 4.13Å; K988-I1120 HydrophobicContact CG-CG1 4.49Å; L991-I1120 HydrophobicContact CB-CD1 4.05Å; L991-I1120 HydrophobicContact CD1-CD1 4.49Å; A992-I1120 HydrophobicContact CB-CG2 3.94Å; R1115-I1120 HydrophobicContact CB-CB 4.17Å; R1115-I1120 HydrophobicContact CG-CB 3.97Å; R1115-I1120 HydrophobicContact CG-CD1 4.49Å; R1115-I1120 HydrophobicContact CG-CG2 4.1Å; R1115-I1120 PolarHBondContact O-N 3.34Å; W1118-I1120 HydrophobicContact CB-CD1 3.96Å; W1118-I1120 HydrophobicContact CB-CG1 3.94Å; W1118-I1120 PolarHBondContact O-N 3.44Å; I1120-A1122 PolarHBondContact O-N 3.21Å; I1120-L1751 HydrophobicContact CD1-CD1 4.18Å | ||
| 1121 | K | 88.7 | Confident | 81 | Confident | 153 Ų | 153 | 64.8 Ų | 64.8 | 67% | 0.665 | 37% | 0.365 | S | S | * | . | trans | -58.5 | 137.6 | 177.2 | -161.5 | -168.2 | -174.3 | -148.3 | 0 | 110.6 | G1119 N1123 | G1119-K1121 PolarHBondContact O-N 3.12Å; K1121-N1123 WeakPolarHBondContact CE-OD1 3.31Å; K1121-N1123 PolarHBondContact NZ-OD1 2.96Å | ||
| 1122 | A | 87.1 | Confident | 78.2 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 22% | 0.223 | 40% | 0.404 | C | S | . | . | trans | -122.3 | 136.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | I1120 I1127 | I1120-A1122 PolarHBondContact O-N 3.21Å; A1122-I1127 HydrophobicContact CB-CD1 3.9Å; A1122-I1127 VanDerWaalsContact O-CD1 3.29Å; A1122-I1127 WeakPolarHBondContact O-CD1 3.37Å | ||
| 1123 | N | 86.7 | Confident | 75.3 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | trans | -118.3 | 7.4 | 176.4 | -37.5 | -92.9 | 0 | 0 | 0 | 111.3 | D996 K1121 | D996-N1123 PolarHBondContact OD1-N 3Å; D996-N1123 VanDerWaalsContact OD1-N 3.13Å; D996-N1123 WeakPolarHBondContact OD2-CA 3.45Å; D996-N1123 VanDerWaalsContact OD2-CB 3.25Å; D996-N1123 WeakPolarHBondContact OD2-CB 3.44Å; D996-N1123 PolarHBondContact OD2-N 3.34Å; D996-N1123 PolarHBondContact OD2-ND2 3.28Å; K1121-N1123 WeakPolarHBondContact CE-OD1 3.31Å; K1121-N1123 PolarHBondContact NZ-OD1 2.96Å | ||
| 1124 | C | 86.4 | Confident | 72.4 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 4% | 0.041 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -71.2 | 152.5 | -177.9 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | D996 C999 C1126 | D996-C1124 HydrophobicContact CB-CB 4.39Å; D996-C1124 WeakPolarHBondContact OD1-CB 3.41Å; D996-C1124 PolarHBondContact OD1-N 3.19Å; C999-C1124 HydrophobicContact CB-CB 3.45Å; C999-C1124 VanDerWaalsContact CB-CB 3.45Å; C1124-C1126 PolarHBondContact O-N 3.38Å; C1124-C1126 VanDerWaalsContact O-N 3.11Å |
| 1125 | P | 79.8 | Confident | 69.4 | Low | 62 Ų | 62 | 86.6 Ų | 86.6 | 40% | 0.403 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.5 | -174.7 | -19.1 | 31.1 | 0 | 0 | 0 | 114.5 | M1003 I1127 S1128 | M1003-P1125 HydrophobicContact CE-CB 3.94Å; M1003-P1125 HydrophobicContact CE-CG 4.21Å; M1003-P1125 HydrophobicContact SD-CB 3.76Å; M1003-P1125 HydrophobicContact SD-CG 3.92Å; P1125-I1127 PolarHBondContact O-N 2.7Å; P1125-I1127 VanDerWaalsContact O-N 3.07Å; P1125-S1128 WeakPolarHBondContact O-CB 3.38Å; P1125-S1128 PolarHBondContact O-N 3.01Å; P1125-S1128 VanDerWaalsContact O-N 3.08Å; P1125-S1128 PolarHBondContact O-OG 3.09Å |
| 1126 | C | 83.1 | Confident | 66.2 | Low | 23 Ų | 23 | 97.1 Ų | 97.1 | 16% | 0.155 | 52% | 0.517 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -33 | -179 | -57.6 | 0 | 0 | 0 | 0 | 114 | H1112 C1124 S1128 R1129 Q1130 | H1112-C1126 VanDerWaalsContact CE1-CB 3.43Å; H1112-C1126 WeakPolarHBondContact CE1-CB 3.37Å; H1112-C1126 WeakPolarHBondContact NE2-CB 3.26Å; C1124-C1126 PolarHBondContact O-N 3.38Å; C1124-C1126 VanDerWaalsContact O-N 3.11Å; C1126-S1128 PolarHBondContact O-N 3.15Å; C1126-R1129 PolarHBondContact O-N 2.65Å; C1126-Q1130 PolarHBondContact O-N 3.45Å |
| 1127 | I | 66.9 | Low | 63.3 | Low | 71 Ų | 71 | 100.4 Ų | 100.4 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.2 | -36.2 | -178.4 | -57.6 | 166.9 | 0 | 0 | 0 | 111.1 | A1122 P1125 R1129 Q1130 N1131 | A1122-I1127 HydrophobicContact CB-CD1 3.9Å; A1122-I1127 VanDerWaalsContact O-CD1 3.29Å; A1122-I1127 WeakPolarHBondContact O-CD1 3.37Å; P1125-I1127 PolarHBondContact O-N 2.7Å; P1125-I1127 VanDerWaalsContact O-N 3.07Å; I1127-R1129 PolarHBondContact O-N 3.08Å; I1127-Q1130 PolarHBondContact O-N 2.78Å; I1127-N1131 PolarHBondContact O-N 3.11Å |
| 1128 | S | 56.8 | Low | 60.3 | Low | 80 Ų | 80 | 97.4 Ų | 97.4 | 56% | 0.559 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.5 | -25.1 | 177.7 | 68.6 | 0 | 0 | 0 | 0 | 113.9 | P1125 C1126 | P1125-S1128 WeakPolarHBondContact O-CB 3.38Å; P1125-S1128 PolarHBondContact O-N 3.01Å; P1125-S1128 VanDerWaalsContact O-N 3.08Å; P1125-S1128 PolarHBondContact O-OG 3.09Å; C1126-S1128 PolarHBondContact O-N 3.15Å |
| 1129 | R | 51.9 | Low | 57.4 | Low | 175 Ų | 175 | 101 Ų | 101 | 66% | 0.66 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -91.8 | -39.6 | 179.6 | -61.6 | -167.7 | -177.6 | -143.5 | 6.1 | 112.2 | C1126 I1127 N1131 K1132 S1133 | C1126-R1129 PolarHBondContact O-N 2.65Å; I1127-R1129 PolarHBondContact O-N 3.08Å; R1129-N1131 VanDerWaalsContact C-N 3.32Å; R1129-N1131 PolarHBondContact O-N 2.75Å; R1129-K1132 PolarHBondContact O-N 3.11Å; R1129-S1133 PolarHBondContact O-N 2.98Å |
| 1130 | Q | 49 | Very low | 54.8 | Low | 82 Ų | 82 | 103.7 Ų | 103.7 | 38% | 0.383 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.5 | -36.5 | 178.7 | -70.1 | -173.1 | -11.7 | 0 | 0 | 112.3 | C1126 I1127 K1132 S1133 V1134 | C1126-Q1130 PolarHBondContact O-N 3.45Å; I1127-Q1130 PolarHBondContact O-N 2.78Å; Q1130-K1132 PolarHBondContact O-N 3.24Å; Q1130-S1133 PolarHBondContact O-N 3.13Å; Q1130-V1134 WeakPolarHBondContact O-CG2 3.48Å; Q1130-V1134 PolarHBondContact O-N 3.07Å |
| 1131 | N | 39.5 | Very low | 51.8 | Low | 140 Ų | 140 | 111.4 Ų | 111.4 | 75% | 0.749 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -5.6 | 173.3 | -100.1 | 6.5 | 0 | 0 | 0 | 114.8 | I1127 R1129 | I1127-N1131 PolarHBondContact O-N 3.11Å; R1129-N1131 VanDerWaalsContact C-N 3.32Å; R1129-N1131 PolarHBondContact O-N 2.75Å |
| 1132 | K | 36.4 | Very low | 49 | Very low | 187 Ų | 187 | 107.4 Ų | 107.4 | 81% | 0.813 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -1.1 | 171.6 | -68.7 | -170.8 | 176.5 | -176.2 | 0 | 114.1 | R1129 Q1130 | R1129-K1132 PolarHBondContact O-N 3.11Å; Q1130-K1132 PolarHBondContact O-N 3.24Å |
| 1133 | S | 33 | Very low | 46.3 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 6.2 | 179.6 | 70.8 | 0 | 0 | 0 | 0 | 114.7 | R1129 Q1130 | R1129-S1133 PolarHBondContact O-N 2.98Å; Q1130-S1133 PolarHBondContact O-N 3.13Å |
| 1134 | V | 32.6 | Very low | 43.6 | Very low | 105 Ų | 105 | 114.9 Ų | 114.9 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | trans | -123.1 | 39.7 | 176.3 | -162.3 | 0 | 0 | 0 | 0 | 111.6 | Q1130 R1136 | Q1130-V1134 WeakPolarHBondContact O-CG2 3.48Å; Q1130-V1134 PolarHBondContact O-N 3.07Å; V1134-R1136 PolarHBondContact O-N 2.77Å | ||
| 1135 | L | 29.6 | Very low | 41 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | trans | -78.8 | 108.8 | 152 | -75.5 | 172.1 | 0 | 0 | 0 | 107.4 | P1137 | L1135-P1137 VanDerWaalsContact O-CD 3.3Å; L1135-P1137 WeakPolarHBondContact O-CD 3.23Å | ||
| 1136 | R | 26.7 | Very low | 38.7 | Very low | 227 Ų | 227 | 128.4 Ų | 128.4 | 86% | 0.857 | 70% | 0.703 | S | S | * | * | trans | -76.9 | 117.1 | 166.4 | -80.5 | 180 | 171.1 | 167.3 | -4.1 | 109.1 | V1134 A1138 | V1134-R1136 PolarHBondContact O-N 2.77Å; R1136-A1138 PolarHBondContact O-N 2.69Å | ||
| 1137 | P | 31.3 | Very low | 36.5 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | trans | -75.1 | 104.9 | 154.8 | 1.3 | 18.7 | 0 | 0 | 0 | 106.3 | L1135 | L1135-P1137 VanDerWaalsContact O-CD 3.3Å; L1135-P1137 WeakPolarHBondContact O-CD 3.23Å | ||
| 1138 | A | 28.7 | Very low | 34.8 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | trans | -91.3 | 137.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | R1136 | R1136-A1138 PolarHBondContact O-N 2.69Š| ||
| 1139 | V | 29.4 | Very low | 33.7 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | 66.1 | 109.6 | 168.4 | -160.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1140 | T | 35.3 | Very low | 32.8 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | -175.5 | 133.3 | 108.8 | 23.8 | 0 | 0 | 0 | 0 | 110.5 | G1142 | T1140-G1142 PolarHBondContact O-N 2.96Š| |||
| 1141 | N | 28.1 | Very low | 32.4 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 96% | 0.963 | 79% | 0.785 | S | S | * | * | trans | -77.5 | 109.6 | 160.9 | -76.1 | -17.1 | 0 | 0 | 0 | 107 | ||||
| 1142 | G | 31.1 | Very low | 32.2 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -156.5 | 95.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1140 | T1140-G1142 PolarHBondContact O-N 2.96Š| ||
| 1143 | M | 30.9 | Very low | 32.2 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -72.4 | 128.3 | 173.8 | 179.9 | 91.2 | 90 | 0 | 0 | 109.8 | ||||
| 1144 | S | 29.6 | Very low | 32.4 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | 155.4 | 162.9 | 126.9 | -69.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1145 | Q | 31 | Very low | 32.7 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | 82.9 | 86.5 | 158 | -47 | -153.2 | 3.7 | 0 | 0 | 119 | ||||
| 1146 | L | 31.7 | Very low | 33.1 | Very low | 163 Ų | 163 | 130 Ų | 130 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -77.7 | 143.3 | 149.5 | -85 | 148.3 | 0 | 0 | 0 | 110.8 | S1148 | L1146-S1148 PolarHBondContact O-N 2.92Å; L1146-S1148 VanDerWaalsContact O-N 3.15Å | ||
| 1147 | P | 37 | Very low | 33.6 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -75.8 | 94.4 | 161.6 | -13.8 | 30.2 | 0 | 0 | 0 | 111.6 | ||||
| 1148 | S | 31.7 | Very low | 33.9 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | -4 | 130.2 | 151.6 | -49 | 0 | 0 | 0 | 0 | 120.1 | L1146 | L1146-S1148 PolarHBondContact O-N 2.92Å; L1146-S1148 VanDerWaalsContact O-N 3.15Å | ||
| 1149 | I | 34.2 | Very low | 34.2 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | -124.1 | 140 | 123.6 | -61.6 | -175.7 | 0 | 0 | 0 | 107.5 | |||||
| 1150 | N | 32.2 | Very low | 34.5 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -86.5 | 171.9 | -167.9 | -106 | -25.1 | 0 | 0 | 0 | 112.9 | ||||
| 1151 | P | 40.1 | Very low | 34.4 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -142.5 | 148.1 | 28.3 | 37.5 | -16.3 | 0 | 0 | 0 | 120.8 | ||||
| 1152 | S | 35.6 | Very low | 34.8 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 62.5 | 111 | 136.3 | -56.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1153 | A | 37.3 | Very low | 35 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | 158.5 | 118.2 | 106.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1154 | S | 37.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 22.6 | 119.6 | 151.6 | 51.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1155 | S | 38.2 | Very low | 35.3 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | 90.8 | 135.3 | 64.8 | -176 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1156 | G | 36.9 | Very low | 35.5 | Very low | 60 Ų | 60 | 117 Ų | 117 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | cis | 169.1 | 168.3 | -5.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1157 | N | 39 | Very low | 35.9 | Very low | 142 Ų | 142 | 115.1 Ų | 115.1 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | 66.2 | 153.5 | 156.1 | -72.8 | 51.3 | 0 | 0 | 0 | 121.8 | ||||
| 1158 | E | 36.3 | Very low | 35.9 | Very low | 146 Ų | 146 | 113.4 Ų | 113.4 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | cis | -174.2 | 163 | -27.8 | -126.4 | -173.4 | 158.7 | 0 | 0 | 113.3 | ||||
| 1159 | T | 36.6 | Very low | 36.2 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 65 | 157.4 | 150.6 | 56.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1160 | T | 35.7 | Very low | 36.3 | Very low | 110 Ų | 110 | 112 Ų | 112 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | cis | -162.3 | 134.5 | -9.5 | -104.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1161 | F | 33 | Very low | 36.3 | Very low | 183 Ų | 183 | 111 Ų | 111 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | trans | 35.5 | 147.4 | 148.8 | -67.3 | -98 | 0 | 0 | 0 | 127.6 | ||||
| 1162 | S | 36.3 | Very low | 36.1 | Very low | 121 Ų | 121 | 111.6 Ų | 111.6 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 74.4 | 140.5 | 150.6 | -62.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1163 | G | 34.3 | Very low | 36.2 | Very low | 81 Ų | 81 | 112.4 Ų | 112.4 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | cis | 163.4 | 142.4 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1164 | G | 33.2 | Very low | 36.2 | Very low | 88 Ų | 88 | 116.2 Ų | 116.2 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | trans | 100.1 | 145.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1165 | G | 34 | Very low | 36.4 | Very low | 90 Ų | 90 | 116.1 Ų | 116.1 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | trans | 97.4 | 142 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1166 | G | 34.8 | Very low | 36.3 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -155 | -163.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1167 | P | 40.1 | Very low | 36.4 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | cis | -133.9 | 164.7 | -20.9 | 39.2 | -24.7 | 0 | 0 | 0 | 114.2 | ||||
| 1168 | A | 36.5 | Very low | 36.4 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 67.8 | 166.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1169 | P | 39.2 | Very low | 36.7 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | cis | -130 | -146.1 | -39.5 | 32.9 | -13.8 | 0 | 0 | 0 | 112.1 | ||||
| 1170 | V | 35.2 | Very low | 36.7 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | 100.8 | 86.1 | 161.7 | -171 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1171 | T | 32.9 | Very low | 36.7 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | 38.7 | 124 | 133.3 | 41.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1172 | T | 35.3 | Very low | 36.7 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | 42.8 | 150.1 | 124.9 | 62.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 1173 | P | 38.9 | Very low | 36.6 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | cis | -145.3 | -172.8 | 33.5 | 42.3 | -21.2 | 0 | 0 | 0 | 118.4 | ||||
| 1174 | E | 37.5 | Very low | 36.8 | Very low | 172 Ų | 172 | 123.7 Ų | 123.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -69.7 | 165.4 | 169.5 | -64.2 | -96.1 | 128 | 0 | 0 | 113 | ||||
| 1175 | P | 40.1 | Very low | 36.8 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | -151.7 | 152.6 | 91.8 | 39.4 | -21.1 | 0 | 0 | 0 | 118.9 | |||||
| 1176 | D | 36.9 | Very low | 36.8 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 33.1 | 130.7 | 141.1 | -61.6 | -59.2 | 0 | 0 | 0 | 123.7 | ||||
| 1177 | H | 38.4 | Very low | 36.6 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | -170.4 | 162.7 | 98.2 | -113.4 | -87.5 | 0 | 0 | 0 | 115.3 | |||||
| 1178 | V | 38.5 | Very low | 36.3 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -139.8 | 141.7 | -167.1 | 163.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1179 | P | 43.4 | Very low | 36.3 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | -159.5 | 146.3 | 109.5 | 39.8 | -19.4 | 0 | 0 | 0 | 120.2 | |||||
| 1180 | K | 36.6 | Very low | 36.6 | Very low | 204 Ų | 204 | 134.8 Ų | 134.8 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | 46.4 | 158.8 | 130 | -65.5 | -169.6 | 174.8 | -175.4 | 0 | 123.6 | |||||
| 1181 | A | 35.2 | Very low | 36.9 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | cis | -176.7 | 168.4 | -24.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1182 | D | 34.2 | Very low | 37.1 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | 86.8 | 172.9 | 147.8 | -119 | -47.1 | 0 | 0 | 0 | 121.9 | ||||
| 1183 | S | 32.9 | Very low | 37.2 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | -116.7 | 156.6 | -138.6 | -44.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1184 | T | 39.4 | Very low | 37 | Very low | 152 Ų | 152 | 136 Ų | 136 | 93% | 0.933 | 73% | 0.731 | S | S | * | * | trans | -153.6 | 163.4 | 159.2 | -31 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1185 | D | 32 | Very low | 36.9 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | trans | -144.2 | 177.2 | -159 | -162.6 | -4 | 0 | 0 | 0 | 111.2 | ||||
| 1186 | I | 34.4 | Very low | 36.9 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | trans | 76.4 | 97.3 | 158.5 | -60.2 | 165.7 | 0 | 0 | 0 | 118.8 | ||||
| 1187 | R | 31.8 | Very low | 36.8 | Very low | 202 Ų | 202 | 133 Ų | 133 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | 71.2 | 160.7 | 112.7 | -150.7 | -167.5 | 153.6 | 166.3 | -9 | 122.6 | E1189 | R1187-E1189 IonicContact CZ-OE1 3.16Å; R1187-E1189 IonicContact NE-OE1 2.76Å; R1187-E1189 PolarHBondContact NE-OE1 3.28Å; R1187-E1189 IonicContact NH2-OE1 2.74Å; R1187-E1189 PolarHBondContact NH2-OE1 3.07Å | |||
| 1188 | S | 32.1 | Very low | 36.5 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | trans | 92.1 | 137.1 | 145.5 | -69.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1189 | E | 38.2 | Very low | 37.3 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 60% | 0.603 | 73% | 0.728 | S | S | * | * | cis | -150.7 | -167.2 | -24.3 | -62.5 | -53.8 | 175.2 | 0 | 0 | 106.7 | R1187 | R1187-E1189 IonicContact CZ-OE1 3.16Å; R1187-E1189 IonicContact NE-OE1 2.76Å; R1187-E1189 PolarHBondContact NE-OE1 3.28Å; R1187-E1189 IonicContact NH2-OE1 2.74Å; R1187-E1189 PolarHBondContact NH2-OE1 3.07Å | ||
| 1190 | E | 44.7 | Very low | 36.8 | Very low | 129 Ų | 129 | 130 Ų | 130 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | cis | -146.4 | -75.8 | -1.5 | -157.5 | -138.5 | 83.4 | 0 | 0 | 116.5 | L1192 | E1190-L1192 HydrophobicContact CG-CD1 3.98Š| ||
| 1191 | P | 40.7 | Very low | 36.6 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | trans | -88 | 140.9 | -134.7 | -8.5 | 25.8 | 0 | 0 | 0 | 115 | ||||
| 1192 | L | 38 | Very low | 36.5 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 60% | 0.597 | 73% | 0.729 | S | S | * | * | cis | 74.9 | 135.9 | 26 | -48.7 | 176.4 | 0 | 0 | 0 | 113.6 | E1190 | E1190-L1192 HydrophobicContact CG-CD1 3.98Š| ||
| 1193 | K | 37.6 | Very low | 36.4 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | cis | -169.4 | 156.8 | -9.9 | -128.7 | 176.1 | -171.1 | 167.6 | 0 | 111.9 | ||||
| 1194 | T | 34.4 | Very low | 36.3 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | trans | 42.9 | 124.2 | 153.6 | 31.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1195 | D | 36.3 | Very low | 36.1 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | 173.5 | 145 | 101.6 | -95.6 | -24.7 | 0 | 0 | 0 | 118 | |||||
| 1196 | S | 38.7 | Very low | 36.3 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | trans | 35.4 | 119.6 | 145.2 | -57.9 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1197 | S | 34.4 | Very low | 36.4 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | 64 | 164.8 | 142.1 | 77 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1198 | A | 33 | Very low | 36.5 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | cis | -122.6 | 106 | -20.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1199 | S | 55.2 | Low | 36.7 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | -131.5 | 34.4 | -85.9 | 44.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1200 | N | 33.6 | Very low | 36.6 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -86.4 | 157.9 | -170.1 | -69.9 | -20 | 0 | 0 | 0 | 114 | ||||
| 1201 | S | 31.2 | Very low | 36.3 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | 91.3 | 143.8 | -179.5 | 79.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1202 | N | 34.1 | Very low | 35.8 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | 68.4 | 118.8 | 156.8 | -63.8 | -4.7 | 0 | 0 | 0 | 121.2 | ||||
| 1203 | S | 31.3 | Very low | 35.8 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | 16.1 | 143.1 | 123.2 | 63.6 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1204 | E | 31 | Very low | 35.4 | Very low | 156 Ų | 156 | 127 Ų | 127 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | cis | -175.9 | 156 | 3.5 | -121.2 | -161.6 | 129.8 | 0 | 0 | 110.7 | ||||
| 1205 | L | 35 | Very low | 35.4 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 61% | 0.607 | 75% | 0.747 | S | S | * | * | trans | 65.3 | 176.7 | 148.7 | -59.8 | 167.3 | 0 | 0 | 0 | 117.3 | ||||
| 1206 | K | 36 | Very low | 35.2 | Very low | 172 Ų | 172 | 125.2 Ų | 125.2 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | cis | -158.6 | 160.3 | 0.6 | -138.3 | 156 | -163.4 | 160.1 | 0 | 114 | ||||
| 1207 | A | 37.6 | Very low | 35 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | trans | 70.5 | 168.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1208 | I | 32.7 | Very low | 35.1 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | cis | -134.6 | 133.4 | 10.4 | -48.1 | 166.9 | 0 | 0 | 0 | 107.8 | ||||
| 1209 | R | 36.1 | Very low | 34.9 | Very low | 228 Ų | 228 | 128.1 Ų | 128.1 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | 72.3 | 166.7 | 51.4 | -95.1 | -171.4 | 179.4 | -165.6 | -0.4 | 114.3 | |||||
| 1210 | P | 37.9 | Very low | 33.8 | Very low | 108 Ų | 108 | 129 Ų | 129 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -127.4 | -147.2 | -2.9 | 31.4 | -6 | 0 | 0 | 0 | 112.4 | ||||
| 1211 | P | 37.2 | Very low | 33.7 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | -130 | 157.6 | -77 | 39.2 | -24.5 | 0 | 0 | 0 | 117 | |||||
| 1212 | C | 31.1 | Very low | 34 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | 41.6 | 159.3 | 140.6 | -63.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1213 | P | 36.4 | Very low | 34.6 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | cis | -120.3 | -156.8 | -2 | 45 | -30 | 0 | 0 | 0 | 111 | ||||
| 1214 | D | 31.2 | Very low | 35 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | cis | -159.1 | 178.4 | -3.6 | -141.5 | -41.6 | 0 | 0 | 0 | 111.6 | ||||
| 1215 | T | 33 | Very low | 35.5 | Very low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | 73.4 | 136.8 | 162.6 | 14 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1216 | A | 32.5 | Very low | 36 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 71.6 | 101.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1217 | P | 34.4 | Very low | 36.2 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | -115 | -170.5 | 166 | 43.3 | -32.1 | 0 | 0 | 0 | 112 | ||||
| 1218 | P | 35.9 | Very low | 36.2 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | -131.9 | 151.1 | -70.1 | 38.7 | -23.9 | 0 | 0 | 0 | 113.5 | |||||
| 1219 | S | 29.2 | Very low | 36.5 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -163.4 | 114.7 | 165.9 | -166.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1220 | S | 32.5 | Very low | 36.8 | Very low | 116 Ų | 116 | 115.6 Ų | 115.6 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | trans | -165.4 | 26.8 | 162.6 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | L1222 | S1220-L1222 VanDerWaalsContact C-N 3.32Å; S1220-L1222 PolarHBondContact O-N 3.47Å | ||
| 1221 | A | 31.8 | Very low | 36.7 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | trans | -78.3 | 64.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1222 | L | 36.4 | Very low | 36.5 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 61% | 0.607 | 73% | 0.732 | S | S | * | * | trans | -136.7 | 17.5 | 171.2 | -83 | -171.2 | 0 | 0 | 0 | 115.2 | S1220 W1224 L1225 | S1220-L1222 VanDerWaalsContact C-N 3.32Å; S1220-L1222 PolarHBondContact O-N 3.47Å; L1222-W1224 PolarHBondContact O-N 3.08Å; L1222-L1225 HydrophobicContact CD2-CB 4.33Å; L1222-L1225 HydrophobicContact CD2-CD1 3.53Å; L1222-L1225 HydrophobicContact CD2-CG 3.78Å | ||
| 1223 | H | 46.4 | Very low | 36.7 | Very low | 162 Ų | 162 | 123.3 Ų | 123.3 | 75% | 0.75 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -59.3 | -29.5 | 173.4 | -163.3 | -27.3 | 0 | 0 | 0 | 112.4 | ||
| 1224 | W | 40.2 | Very low | 36.5 | Very low | 171 Ų | 171 | 125.7 Ų | 125.7 | 65% | 0.648 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -78.2 | -27.6 | -174.3 | 86.4 | -74.1 | 0 | 0 | 0 | 115.2 | L1222 A1226 D1227 L1228 | L1222-W1224 PolarHBondContact O-N 3.08Å; W1224-A1226 PolarHBondContact O-N 3.41Å; W1224-D1227 PolarHBondContact O-N 2.93Å; W1224-L1228 HydrophobicContact CE3-CD1 4.15Å; W1224-L1228 HydrophobicContact CH2-CD1 4.33Å; W1224-L1228 HydrophobicContact CZ3-CD1 3.73Å |
| 1225 | L | 41 | Very low | 36.5 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 49% | 0.487 | 73% | 0.726 | S | S | . | * | G | 310 helix | trans | -74.4 | -2.1 | 177.8 | -70.3 | -168.6 | 0 | 0 | 0 | 113.5 | L1222 L1228 | L1222-L1225 HydrophobicContact CD2-CB 4.33Å; L1222-L1225 HydrophobicContact CD2-CD1 3.53Å; L1222-L1225 HydrophobicContact CD2-CG 3.78Å; L1225-L1228 HydrophobicContact CD2-CD1 4.26Å |
| 1226 | A | 46.9 | Very low | 36.4 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | G | 310 helix | trans | -75.9 | -30 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | W1224 | W1224-A1226 PolarHBondContact O-N 3.41Š|
| 1227 | D | 40.5 | Very low | 36.3 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -93 | -16.7 | -169.3 | -61.1 | -39.4 | 0 | 0 | 0 | 113.5 | W1224 A1229 T1230 | W1224-D1227 PolarHBondContact O-N 2.93Å; D1227-A1229 PolarHBondContact O-N 3.29Å; D1227-T1230 PolarHBondContact O-OG1 3.23Å |
| 1228 | L | 37.4 | Very low | 36.2 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 67% | 0.665 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -75.3 | -2.6 | 178 | -87.4 | 166.2 | 0 | 0 | 0 | 114.7 | W1224 L1225 T1230 | W1224-L1228 HydrophobicContact CE3-CD1 4.15Å; W1224-L1228 HydrophobicContact CH2-CD1 4.33Å; W1224-L1228 HydrophobicContact CZ3-CD1 3.73Å; L1225-L1228 HydrophobicContact CD2-CD1 4.26Å; L1228-T1230 VanDerWaalsContact C-N 3.29Å; L1228-T1230 PolarHBondContact O-N 3.3Å |
| 1229 | A | 37.7 | Very low | 36.1 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 72% | 0.719 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -82.5 | -0.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | D1227 | D1227-A1229 PolarHBondContact O-N 3.29Š|
| 1230 | T | 43.4 | Very low | 36.3 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 60% | 0.595 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -144 | 59.3 | -166.5 | 47.1 | 0 | 0 | 0 | 0 | 115.9 | D1227 L1228 | D1227-T1230 PolarHBondContact O-OG1 3.23Å; L1228-T1230 VanDerWaalsContact C-N 3.29Å; L1228-T1230 PolarHBondContact O-N 3.3Å |
| 1231 | Q | 34.7 | Very low | 36.3 | Very low | 202 Ų | 202 | 130.1 Ų | 130.1 | 94% | 0.944 | 72% | 0.715 | S | S | * | * | trans | -169.7 | 174.8 | 144.8 | -107.6 | 148.4 | 83.8 | 0 | 0 | 113.3 | ||||
| 1232 | K | 34 | Very low | 36.4 | Very low | 203 Ų | 203 | 131.4 Ų | 131.4 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | -116.4 | 152.6 | -169.3 | -81.3 | -171.8 | 173.5 | -173.8 | 0 | 113.4 | ||||
| 1233 | A | 34.1 | Very low | 36.3 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | 83.5 | 151.7 | 140.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1234 | K | 32.2 | Very low | 35.4 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 74.9 | 102.3 | 162.3 | -88.8 | -170.4 | 173.7 | -75.9 | 0 | 121.1 | ||||
| 1235 | E | 31.7 | Very low | 34.9 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | 87.4 | 147.4 | 109.8 | -109.7 | 156.5 | -134.8 | 0 | 0 | 122.9 | |||||
| 1236 | E | 32 | Very low | 34.6 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 57.6 | 116.7 | 166.3 | -50.5 | -159.4 | 132.8 | 0 | 0 | 118.5 | ||||
| 1237 | T | 29.1 | Very low | 34 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | cis | 92.1 | 100.1 | 36.7 | -60.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1238 | K | 33.1 | Very low | 33.5 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 73% | 0.726 | 77% | 0.77 | S | S | * | * | 175.9 | 136.5 | 128.8 | -100.9 | 179.2 | 178.3 | -85.6 | 0 | 113.7 | |||||
| 1239 | E | 33.9 | Very low | 33.3 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 39.2 | 143.2 | 133.6 | -65.1 | 171.5 | -117.4 | 0 | 0 | 121 | ||||
| 1240 | A | 34 | Very low | 32.9 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | cis | -156.6 | 173.8 | 5.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1241 | G | 32.6 | Very low | 32.2 | Very low | 67 Ų | 67 | 144.2 Ų | 144.2 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | cis | 153.7 | 159.1 | -5.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1242 | S | 32.8 | Very low | 32 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 66.9 | 147.6 | 174.7 | -110.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1243 | L | 33.9 | Very low | 31.6 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | cis | -121.3 | 173.8 | 7.9 | -81.2 | 164.6 | 0 | 0 | 0 | 112.7 | ||||
| 1244 | R | 28.9 | Very low | 31.4 | Very low | 239 Ų | 239 | 140.2 Ų | 140.2 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -150.2 | 156.5 | -161.7 | -161.7 | -174.8 | -163.5 | -176.5 | 6.9 | 112.6 | ||||
| 1245 | S | 29.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 73.1 | 162.6 | 168.9 | -133.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1246 | V | 34.8 | Very low | 31.1 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | cis | -151.5 | 125.8 | 42.5 | 170.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1247 | L | 34.5 | Very low | 31.1 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 57.9 | 162.4 | 155.8 | -60.4 | 169.3 | 0 | 0 | 0 | 121.1 | ||||
| 1248 | N | 30.3 | Very low | 31.1 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | -168.1 | 161.5 | -45.1 | -154 | -0.3 | 0 | 0 | 0 | 111.7 | ||||
| 1249 | K | 33.2 | Very low | 31 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 67% | 0.665 | 77% | 0.773 | S | S | * | * | trans | 75.2 | 157.9 | 153.5 | -99 | 174.4 | 143.7 | -77.4 | 0 | 122.5 | ||||
| 1250 | E | 29.4 | Very low | 30.9 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | 61.9 | 90.1 | 169.9 | -83.9 | 66.6 | -81 | 0 | 0 | 120.8 | ||||
| 1251 | S | 28.2 | Very low | 30.7 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 41.5 | 123.6 | 134.5 | 60.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1252 | H | 29.8 | Very low | 30.5 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 88% | 0.884 | 78% | 0.782 | S | S | * | * | -171.4 | 151 | 120.9 | -92.9 | -62.3 | 0 | 0 | 0 | 110.7 | |||||
| 1253 | S | 26.5 | Very low | 30.5 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -91.6 | 127 | -176.1 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1254 | P | 29.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -113 | 64.2 | -176.2 | 40.7 | -32.5 | 0 | 0 | 0 | 114.3 | ||||
| 1255 | F | 30 | Very low | 30.3 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | -131.6 | 64.2 | 167.3 | -80.9 | -72.4 | 0 | 0 | 0 | 111.9 | L1059 | L1059-F1255 HydrophobicContact CD1-CE1 4.08Å; L1059-F1255 HydrophobicContact CD1-CZ 3.99Å | ||
| 1256 | G | 28.1 | Very low | 30.3 | Very low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -129.6 | 117.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109 | D1258 | G1256-D1258 PolarHBondContact O-N 3.04Š| ||
| 1257 | L | 31.9 | Very low | 29.9 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | trans | -92.4 | 46.3 | 178.1 | -102.1 | 173.9 | 0 | 0 | 0 | 112.2 | ||||
| 1258 | D | 29 | Very low | 29.6 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -135.1 | 157.5 | 170.1 | -113.2 | -45.7 | 0 | 0 | 0 | 110.4 | G1256 | G1256-D1258 PolarHBondContact O-N 3.04Š| ||
| 1259 | S | 31.1 | Very low | 29.5 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 65 | 68.4 | -179.9 | -61.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1260 | F | 32 | Very low | 29.3 | Very low | 201 Ų | 201 | 135.8 Ų | 135.8 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -95.6 | 104.5 | 147.1 | -96.3 | -68 | 0 | 0 | 0 | 112 | ||||
| 1261 | N | 29.4 | Very low | 29.4 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 65.4 | 74.7 | 157 | -63.2 | -6.5 | 0 | 0 | 0 | 119.3 | T1263 | N1261-T1263 PolarHBondContact O-N 3.41Š| ||
| 1262 | S | 29.3 | Very low | 29.3 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -71.3 | 107.6 | 144 | -72 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1263 | T | 31.7 | Very low | 29.3 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -161.9 | 64.7 | 157.5 | 1.3 | 0 | 0 | 0 | 0 | 113.4 | N1261 | N1261-T1263 PolarHBondContact O-N 3.41Š| ||
| 1264 | A | 31.9 | Very low | 29.3 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -135.3 | 113.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V1266 | A1264-V1266 PolarHBondContact O-N 3.06Š| ||
| 1265 | K | 26.5 | Very low | 29.1 | Very low | 219 Ų | 219 | 142.8 Ų | 142.8 | 95% | 0.952 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 104.3 | -175.2 | -63.9 | 176.5 | -179.8 | 176.6 | 0 | 111.1 | ||||
| 1266 | V | 29.3 | Very low | 29.1 | Very low | 140 Ų | 140 | 140 Ų | 140 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -139.6 | 141.2 | 159.8 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | A1264 | A1264-V1266 PolarHBondContact O-N 3.06Š| ||
| 1267 | S | 27.3 | Very low | 29.2 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 59% | 0.587 | 81% | 0.807 | S | S | * | * | trans | -58.3 | 156.2 | -170.5 | -45.3 | 0 | 0 | 0 | 0 | 116.3 | L1269 | S1267-L1269 PolarHBondContact O-N 3.23Å; S1267-L1269 VanDerWaalsContact O-N 3.12Å | ||
| 1268 | P | 26.9 | Very low | 29.1 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -69.8 | 104.6 | 165.3 | 30.5 | -33.5 | 0 | 0 | 0 | 110 | ||||
| 1269 | L | 29.1 | Very low | 29.3 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -128 | 116.7 | 172.6 | -80.3 | 172.3 | 0 | 0 | 0 | 110.9 | S1267 | S1267-L1269 PolarHBondContact O-N 3.23Å; S1267-L1269 VanDerWaalsContact O-N 3.12Å | ||
| 1270 | T | 27.4 | Very low | 29.1 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 64% | 0.638 | 80% | 0.801 | S | S | * | * | trans | -60.7 | 134.5 | 175.1 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | K1272 | T1270-K1272 PolarHBondContact O-N 3.47Š| ||
| 1271 | P | 32.2 | Very low | 29.2 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -74 | 71.4 | 156.1 | 33.3 | -33.1 | 0 | 0 | 0 | 109.5 | ||||
| 1272 | K | 27 | Very low | 29.1 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -66.3 | 166.2 | 147.6 | -74.9 | -174.4 | 176.7 | -178 | 0 | 107.6 | T1270 | T1270-K1272 PolarHBondContact O-N 3.47Š| ||
| 1273 | L | 28.4 | Very low | 29.1 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 78.5 | 72.5 | -174.2 | -47.1 | 177.9 | 0 | 0 | 0 | 115.2 | ||||
| 1274 | F | 27.4 | Very low | 29.1 | Very low | 220 Ų | 220 | 135.1 Ų | 135.1 | 97% | 0.965 | 79% | 0.789 | S | S | * | * | -141.7 | 68.5 | 124.9 | -132 | -81 | 0 | 0 | 0 | 111 | |||||
| 1275 | N | 26.1 | Very low | 29 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 60% | 0.599 | 79% | 0.789 | S | S | * | * | trans | -146.2 | 152.7 | 165.7 | -139.4 | -23.3 | 0 | 0 | 0 | 109 | ||||
| 1276 | S | 28.2 | Very low | 29.3 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | 60.2 | 100.6 | -171.1 | -56.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1277 | L | 32.1 | Very low | 29.2 | Very low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | -172.1 | 76.5 | 103.6 | -96 | 171.1 | 0 | 0 | 0 | 111.4 | |||||
| 1278 | L | 27.9 | Very low | 29.5 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -108.2 | 93.4 | 153.8 | -91 | 175.1 | 0 | 0 | 0 | 108.2 | ||||
| 1279 | L | 33.1 | Very low | 29.9 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -163.1 | 129.3 | 157.6 | -104.8 | 171.5 | 0 | 0 | 0 | 107.9 | ||||
| 1280 | G | 27.4 | Very low | 30 | Very low | 65 Ų | 65 | 135.8 Ų | 135.8 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -81.9 | -159.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1281 | P | 34.9 | Very low | 30.4 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -145.9 | 177.3 | 36.1 | 40.4 | -19.6 | 0 | 0 | 0 | 117.6 | ||||
| 1282 | T | 27.6 | Very low | 30.7 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | 43.4 | 108.6 | 146.3 | 53.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 1283 | A | 29.2 | Very low | 31.1 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | 80.8 | 151 | 115 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1284 | S | 32.2 | Very low | 32.1 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 80.7 | 101.5 | 160.8 | 70.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1285 | N | 29.2 | Very low | 32.9 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | 64.5 | 141.2 | 131.2 | -91.1 | -5.5 | 0 | 0 | 0 | 123.7 | ||||
| 1286 | N | 31.6 | Very low | 33.7 | Very low | 131 Ų | 131 | 130 Ų | 130 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | 69.8 | 95.7 | 149.1 | -62.3 | -22.7 | 0 | 0 | 0 | 119.5 | ||||
| 1287 | K | 28.9 | Very low | 34.3 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | 52.7 | 147.6 | 122.9 | -67.8 | -177.6 | 172.2 | -179.2 | 0 | 121 | |||||
| 1288 | T | 32.5 | Very low | 34.5 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | trans | 88.5 | 113.9 | 157 | -44.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1289 | E | 35 | Very low | 34.9 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | 46.2 | 134.3 | 150.4 | -63.7 | 149.6 | -153.8 | 0 | 0 | 120.4 | ||||
| 1290 | G | 31.7 | Very low | 34.9 | Very low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | cis | 166.7 | -174.5 | 0.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1291 | S | 35.5 | Very low | 35.3 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | 66.5 | 129.5 | 170.6 | -51.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1292 | S | 39.9 | Very low | 35.1 | Very low | 58 Ų | 58 | 125.8 Ų | 125.8 | 41% | 0.406 | 74% | 0.744 | S | S | . | * | trans | -117.5 | 162.9 | -174.4 | 79.6 | 0 | 0 | 0 | 0 | 113.5 | R1294 D1295 | S1292-R1294 PolarHBondContact O-N 3.18Å; S1292-R1294 VanDerWaalsContact O-N 3.13Å; S1292-R1294 PolarHBondContact OG-N 3.35Å; S1292-D1295 WeakPolarHBondContact CA-OD2 3.36Å; S1292-D1295 VanDerWaalsContact CB-OD2 3.27Å; S1292-D1295 WeakPolarHBondContact CB-OD2 3.27Å; S1292-D1295 PolarHBondContact N-OD2 3.36Å; S1292-D1295 WeakPolarHBondContact O-CB 3.35Å; S1292-D1295 PolarHBondContact O-N 3Å; S1292-D1295 PolarHBondContact OG-N 3.13Å; S1292-D1295 PolarHBondContact OG-OD2 3.11Å | ||
| 1293 | L | 35.4 | Very low | 35.2 | Very low | 145 Ų | 145 | 130 Ų | 130 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -2 | 172 | -150.7 | 131.2 | 0 | 0 | 0 | 113.3 | ||
| 1294 | R | 47.8 | Very low | 35.3 | Very low | 214 Ų | 214 | 133.8 Ų | 133.8 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -24.4 | 165.4 | -76.1 | -178.7 | 169 | 139.3 | -0.9 | 112.7 | S1292 L1296 | S1292-R1294 PolarHBondContact O-N 3.18Å; S1292-R1294 VanDerWaalsContact O-N 3.13Å; S1292-R1294 PolarHBondContact OG-N 3.35Å; R1294-L1296 VanDerWaalsContact C-N 3.32Å |
| 1295 | D | 44.9 | Very low | 35.1 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 51% | 0.508 | 75% | 0.751 | S | S | . | * | G | 310 helix | trans | -76.1 | -26.5 | 175.5 | -53.1 | -60.1 | 0 | 0 | 0 | 111 | S1292 L1297 H1298 | S1292-D1295 WeakPolarHBondContact CA-OD2 3.36Å; S1292-D1295 VanDerWaalsContact CB-OD2 3.27Å; S1292-D1295 WeakPolarHBondContact CB-OD2 3.27Å; S1292-D1295 PolarHBondContact N-OD2 3.36Å; S1292-D1295 WeakPolarHBondContact O-CB 3.35Å; S1292-D1295 PolarHBondContact O-N 3Å; S1292-D1295 PolarHBondContact OG-N 3.13Å; S1292-D1295 PolarHBondContact OG-OD2 3.11Å; D1295-L1297 PolarHBondContact O-N 2.87Å; D1295-H1298 PolarHBondContact O-N 3.5Å |
| 1296 | L | 43.8 | Very low | 35.1 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -77.2 | 3.3 | 175 | -116.9 | 160.1 | 0 | 0 | 0 | 114.9 | R1294 | R1294-L1296 VanDerWaalsContact C-N 3.32Š|
| 1297 | L | 39.4 | Very low | 35.1 | Very low | 139 Ų | 139 | 134 Ų | 134 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -121 | 4.6 | 172.8 | -71.8 | 174.6 | 0 | 0 | 0 | 113.7 | D1295 | D1295-L1297 PolarHBondContact O-N 2.87Š|
| 1298 | H | 36.9 | Very low | 35.2 | Very low | 164 Ų | 164 | 129.7 Ų | 129.7 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -141.2 | 61.8 | 179.4 | -73.9 | -35.9 | 0 | 0 | 0 | 113.1 | D1295 | D1295-H1298 PolarHBondContact O-N 3.5Š|
| 1299 | S | 35.6 | Very low | 35.2 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -158.7 | 104.5 | 164.9 | -86 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1300 | G | 33.5 | Very low | 35 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | 75.9 | 173.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1301 | P | 35.1 | Very low | 34.8 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 90% | 0.896 | 75% | 0.748 | S | S | * | * | cis | -78.1 | 178 | -2.3 | 34.2 | -35.8 | 0 | 0 | 0 | 112.9 | ||||
| 1302 | G | 31.2 | Very low | 34.6 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | -88.5 | 174.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1304 | G1302-L1304 PolarHBondContact O-N 3.22Š| ||
| 1303 | K | 29.9 | Very low | 34.2 | Very low | 213 Ų | 213 | 134.3 Ų | 134.3 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | trans | -1.6 | 115 | 141.5 | -59.8 | 173.3 | 177.6 | 179.3 | 0 | 115.2 | ||||
| 1304 | L | 30.7 | Very low | 34.1 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | -151.5 | 153.7 | 122.1 | -96.8 | 163.3 | 0 | 0 | 0 | 107.3 | G1302 | G1302-L1304 PolarHBondContact O-N 3.22Š| |||
| 1305 | P | 28.1 | Very low | 33.2 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | trans | -103.2 | -172.3 | -161.1 | 41.3 | -38 | 0 | 0 | 0 | 113.5 | ||||
| 1306 | Q | 30.7 | Very low | 32.6 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 74.5 | 142.3 | 168.3 | -60.1 | 170.1 | -7.9 | 0 | 0 | 114 | ||||
| 1307 | T | 30.2 | Very low | 32.3 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -150.6 | 165.3 | -6.4 | 6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1308 | P | 32.2 | Very low | 32 | Very low | 104 Ų | 104 | 129 Ų | 129 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | -87.4 | -157.2 | 179.9 | 38.4 | -33.9 | 0 | 0 | 0 | 111.7 | ||||
| 1309 | L | 32.4 | Very low | 31.7 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 72 | 144.4 | 175.4 | -88.2 | 38.4 | 0 | 0 | 0 | 115.2 | ||||
| 1310 | D | 29.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 129 Ų | 129 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | cis | -162.9 | -169.8 | -24.5 | -139.1 | -36.4 | 0 | 0 | 0 | 111.4 | ||||
| 1311 | T | 28.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -21.7 | 134.1 | 157.1 | 55.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1312 | G | 29.8 | Very low | 31.1 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -176.6 | 56.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1313 | I | 32.7 | Very low | 31.2 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -61.2 | 125.2 | 156.9 | -67.6 | 167.7 | 0 | 0 | 0 | 106.6 | ||||
| 1314 | P | 32.6 | Very low | 31.4 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | -154.3 | 165.3 | 87.1 | 40.4 | -20.6 | 0 | 0 | 0 | 119.1 | |||||
| 1315 | F | 28.5 | Very low | 31.4 | Very low | 180 Ų | 180 | 121.5 Ų | 121.5 | 79% | 0.789 | 74% | 0.744 | S | S | * | * | trans | -17.5 | 150.4 | 135.5 | -82.3 | -84.4 | 0 | 0 | 0 | 115.7 | ||||
| 1316 | P | 33.3 | Very low | 31.7 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | -145.1 | -148.8 | 65.6 | 46.6 | -25.7 | 0 | 0 | 0 | 114.1 | |||||
| 1317 | P | 38.2 | Very low | 31.7 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | -131 | -130.1 | -119.3 | 39.2 | -14.4 | 0 | 0 | 0 | 112.9 | |||||
| 1318 | V | 32.9 | Very low | 31.8 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | trans | 81 | 106.7 | 172.9 | -179.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1319 | F | 30.5 | Very low | 31.8 | Very low | 189 Ų | 189 | 127.1 Ų | 127.1 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | 56.8 | 141.4 | 93.8 | -54.9 | -68.3 | 0 | 0 | 0 | 114 | |||||
| 1320 | S | 33.1 | Very low | 31.8 | Very low | 89 Ų | 89 | 124.2 Ų | 124.2 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | cis | -160.6 | 152.2 | 11.6 | -147 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1321 | T | 28.6 | Very low | 32 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | trans | 29.5 | 124 | 140.4 | 57.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1322 | S | 29.9 | Very low | 32.5 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | 82.9 | 137.4 | 123.4 | 71.5 | 0 | 0 | 0 | 0 | 124 | |||||
| 1323 | S | 32.3 | Very low | 33.1 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | 90.2 | 125.9 | 139.7 | 74.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1324 | A | 33.6 | Very low | 34 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | 60 | 74.8 | 135.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1325 | G | 31.9 | Very low | 34.7 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | 77.3 | 177.4 | 104.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1326 | V | 33.7 | Very low | 35.9 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 76% | 0.758 | 74% | 0.736 | S | S | * | * | trans | 76.4 | 87.7 | 160.9 | -165 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1327 | K | 30.8 | Very low | 37.1 | Very low | 197 Ų | 197 | 121.7 Ų | 121.7 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | trans | 73.5 | 142.9 | 138.5 | -59.2 | 171.6 | -174.1 | 172.4 | 0 | 121.7 | ||||
| 1328 | S | 31.7 | Very low | 37.9 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | 104.8 | 104.6 | 136.2 | -172.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1329 | K | 32.3 | Very low | 39.2 | Very low | 198 Ų | 198 | 120.9 Ų | 120.9 | 86% | 0.861 | 70% | 0.703 | S | S | * | * | trans | 69 | 144.7 | 142 | -66.9 | 178.2 | 177.8 | -178.7 | 0 | 121 | ||||
| 1330 | A | 33.6 | Very low | 40.5 | Very low | 87 Ų | 87 | 116.9 Ų | 116.9 | 72% | 0.719 | 69% | 0.689 | S | S | * | * | trans | 61.6 | 100.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1331 | S | 32.6 | Very low | 41.5 | Very low | 106 Ų | 106 | 114 Ų | 114 | 74% | 0.741 | 67% | 0.671 | S | S | * | * | 81.7 | 124 | 67.5 | 71.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1332 | L | 39.1 | Very low | 42.7 | Very low | 169 Ų | 169 | 110.9 Ų | 110.9 | 89% | 0.885 | 65% | 0.653 | S | S | * | * | trans | 160.3 | 153.5 | 151 | -90.6 | 162.5 | 0 | 0 | 0 | 109.4 | ||||
| 1333 | P | 43.7 | Very low | 43.8 | Very low | 103 Ų | 103 | 111.6 Ų | 111.6 | 67% | 0.669 | 65% | 0.653 | S | S | * | * | cis | -124.2 | 143.2 | -23.4 | 35.3 | -19.8 | 0 | 0 | 0 | 113.7 | F1335 | P1333-F1335 PolarHBondContact O-N 2.95Š| ||
| 1334 | N | 50.4 | Low | 44.8 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 49% | 0.492 | 65% | 0.65 | S | S | . | * | trans | -80.7 | 73.5 | -175.1 | -102 | 22 | 0 | 0 | 0 | 113.1 | D1337 H1338 | N1334-D1337 HydrophobicContact CB-CB 3.8Å; N1334-D1337 WeakPolarHBondContact ND2-CB 3.3Å; N1334-D1337 PolarHBondContact ND2-OD2 3.44Å; N1334-H1338 WeakPolarHBondContact O-CB 3.17Å; N1334-H1338 PolarHBondContact O-CD2 3.28Å; N1334-H1338 PolarHBondContact O-N 3.13Å | ||
| 1335 | F | 47.8 | Very low | 45.5 | Very low | 162 Ų | 162 | 113.8 Ų | 113.8 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.9 | -48.2 | -178 | -175 | -109.9 | 0 | 0 | 0 | 113.7 | P1333 H1338 I1339 | P1333-F1335 PolarHBondContact O-N 2.95Å; F1335-H1338 PolarHBondContact O-N 3.42Å; F1335-I1339 HydrophobicContact CD1-CD1 4Å; F1335-I1339 HydrophobicContact CE1-CD1 3.53Å; F1335-I1339 HydrophobicContact CE2-CD1 4.2Å; F1335-I1339 HydrophobicContact CZ-CD1 3.65Å; F1335-I1339 WeakPolarHBondContact O-CG1 3.4Å; F1335-I1339 PolarHBondContact O-N 3.11Å |
| 1336 | L | 53 | Low | 45.8 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.9 | -43.1 | 176.8 | -89.6 | 156.3 | 0 | 0 | 0 | 111.6 | H1338 I1339 I1340 | L1336-H1338 PolarHBondContact O-N 3.14Å; L1336-I1339 WeakPolarHBondContact O-CB 3.39Å; L1336-I1339 PolarHBondContact O-N 2.87Å; L1336-I1339 VanDerWaalsContact O-N 3.12Å; L1336-I1340 WeakPolarHBondContact O-CG1 3.27Å; L1336-I1340 PolarHBondContact O-N 3.29Å |
| 1337 | D | 58.3 | Low | 46 | Very low | 85 Ų | 85 | 120.5 Ų | 120.5 | 46% | 0.455 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -70.6 | -28.2 | 177.7 | -72.5 | -5.7 | 0 | 0 | 0 | 112.9 | N1334 I1340 A1341 | N1334-D1337 HydrophobicContact CB-CB 3.8Å; N1334-D1337 WeakPolarHBondContact ND2-CB 3.3Å; N1334-D1337 PolarHBondContact ND2-OD2 3.44Å; D1337-I1340 PolarHBondContact O-N 3.43Å; D1337-A1341 WeakPolarHBondContact O-CB 3.25Å; D1337-A1341 PolarHBondContact O-N 2.55Å |
| 1338 | H | 55.4 | Low | 46.1 | Very low | 129 Ų | 129 | 120.6 Ų | 120.6 | 60% | 0.597 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.6 | -25.8 | 168.3 | -82.6 | -60.7 | 0 | 0 | 0 | 112.6 | N1334 F1335 L1336 S1342 | N1334-H1338 WeakPolarHBondContact O-CB 3.17Å; N1334-H1338 PolarHBondContact O-CD2 3.28Å; N1334-H1338 PolarHBondContact O-N 3.13Å; F1335-H1338 PolarHBondContact O-N 3.42Å; L1336-H1338 PolarHBondContact O-N 3.14Å; H1338-S1342 WeakPolarHBondContact O-CB 3.5Å; H1338-S1342 PolarHBondContact O-N 3.01Å; H1338-S1342 PolarHBondContact O-OG 2.98Å |
| 1339 | I | 60.3 | Low | 46.3 | Very low | 74 Ų | 74 | 122.8 Ų | 122.8 | 38% | 0.379 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -70.9 | -44.4 | 168.4 | -72.3 | 169.1 | 0 | 0 | 0 | 109.9 | F1335 L1336 S1342 V1343 | F1335-I1339 HydrophobicContact CD1-CD1 4Å; F1335-I1339 HydrophobicContact CE1-CD1 3.53Å; F1335-I1339 HydrophobicContact CE2-CD1 4.2Å; F1335-I1339 HydrophobicContact CZ-CD1 3.65Å; F1335-I1339 WeakPolarHBondContact O-CG1 3.4Å; F1335-I1339 PolarHBondContact O-N 3.11Å; L1336-I1339 WeakPolarHBondContact O-CB 3.39Å; L1336-I1339 PolarHBondContact O-N 2.87Å; L1336-I1339 VanDerWaalsContact O-N 3.12Å; I1339-S1342 PolarHBondContact O-N 3.43Å; I1339-S1342 PolarHBondContact O-OG 2.87Å; I1339-V1343 WeakPolarHBondContact O-CB 3.49Å; I1339-V1343 VanDerWaalsContact O-CG2 3.24Å; I1339-V1343 WeakPolarHBondContact O-CG2 3.27Å; I1339-V1343 PolarHBondContact O-N 3.49Å |
| 1340 | I | 58.4 | Low | 46.4 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 54% | 0.538 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.9 | -44.3 | 176.7 | -67 | 164 | 0 | 0 | 0 | 110.4 | L1336 D1337 V1343 V1344 | L1336-I1340 WeakPolarHBondContact O-CG1 3.27Å; L1336-I1340 PolarHBondContact O-N 3.29Å; D1337-I1340 PolarHBondContact O-N 3.43Å; I1340-V1343 PolarHBondContact O-N 3.17Å; I1340-V1344 WeakPolarHBondContact O-CB 3.43Å; I1340-V1344 VanDerWaalsContact O-CG2 3.27Å; I1340-V1344 WeakPolarHBondContact O-CG2 3.4Å; I1340-V1344 PolarHBondContact O-N 3.14Å; I1340-V1344 VanDerWaalsContact O-N 3.15Å |
| 1341 | A | 54 | Low | 46.4 | Very low | 29 Ų | 29 | 121.6 Ų | 121.6 | 24% | 0.24 | 65% | 0.654 | C | S | . | * | H | α-helix | trans | -64.7 | -48.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1337 V1343 V1344 E1345 | D1337-A1341 WeakPolarHBondContact O-CB 3.25Å; D1337-A1341 PolarHBondContact O-N 2.55Å; A1341-V1343 PolarHBondContact O-N 3.42Å; A1341-V1344 CarbonylContact O-C 3.42Å; A1341-V1344 WeakPolarHBondContact O-CA 3.32Å; A1341-V1344 PolarHBondContact O-N 3.07Å; A1341-E1345 WeakPolarHBondContact O-CB 3.29Å; A1341-E1345 WeakPolarHBondContact O-CG 3.45Å; A1341-E1345 PolarHBondContact O-N 3.46Å |
| 1342 | S | 54 | Low | 46.5 | Very low | 49 Ų | 49 | 120.9 Ų | 120.9 | 34% | 0.343 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -68.2 | -17.5 | 179.7 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | H1338 I1339 N1346 | H1338-S1342 WeakPolarHBondContact O-CB 3.5Å; H1338-S1342 PolarHBondContact O-N 3.01Å; H1338-S1342 PolarHBondContact O-OG 2.98Å; I1339-S1342 PolarHBondContact O-N 3.43Å; I1339-S1342 PolarHBondContact O-OG 2.87Å; S1342-N1346 WeakPolarHBondContact O-CB 3.48Å; S1342-N1346 PolarHBondContact O-ND2 3.39Å; S1342-N1346 VanDerWaalsContact O-ND2 3.12Å |
| 1343 | V | 53 | Low | 46.4 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -84.5 | -20.8 | 169.1 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | I1339 I1340 A1341 | I1339-V1343 WeakPolarHBondContact O-CB 3.49Å; I1339-V1343 VanDerWaalsContact O-CG2 3.24Å; I1339-V1343 WeakPolarHBondContact O-CG2 3.27Å; I1339-V1343 PolarHBondContact O-N 3.49Å; I1340-V1343 PolarHBondContact O-N 3.17Å; A1341-V1343 PolarHBondContact O-N 3.42Å |
| 1344 | V | 52.8 | Low | 46.1 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 72% | 0.721 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -96.3 | -27.2 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 113.1 | I1340 A1341 | I1340-V1344 WeakPolarHBondContact O-CB 3.43Å; I1340-V1344 VanDerWaalsContact O-CG2 3.27Å; I1340-V1344 WeakPolarHBondContact O-CG2 3.4Å; I1340-V1344 PolarHBondContact O-N 3.14Å; I1340-V1344 VanDerWaalsContact O-N 3.15Å; A1341-V1344 CarbonylContact O-C 3.42Å; A1341-V1344 WeakPolarHBondContact O-CA 3.32Å; A1341-V1344 PolarHBondContact O-N 3.07Å |
| 1345 | E | 48.6 | Very low | 45.3 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 65% | 0.654 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -97.6 | -17.5 | -175.2 | -65.5 | -172.2 | 120.5 | 0 | 0 | 114.3 | A1341 K1347 | A1341-E1345 WeakPolarHBondContact O-CB 3.29Å; A1341-E1345 WeakPolarHBondContact O-CG 3.45Å; A1341-E1345 PolarHBondContact O-N 3.46Å; E1345-K1347 VanDerWaalsContact C-N 3.26Å; E1345-K1347 PolarHBondContact O-N 3.13Å |
| 1346 | N | 38 | Very low | 44.6 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | trans | -77.8 | 50.7 | -172 | -84.4 | -5.2 | 0 | 0 | 0 | 115.9 | S1342 | S1342-N1346 WeakPolarHBondContact O-CB 3.48Å; S1342-N1346 PolarHBondContact O-ND2 3.39Å; S1342-N1346 VanDerWaalsContact O-ND2 3.12Å | ||
| 1347 | K | 38.6 | Very low | 43.5 | Very low | 204 Ų | 204 | 124.2 Ų | 124.2 | 89% | 0.887 | 68% | 0.677 | S | S | * | * | trans | -155.8 | 59.9 | 156.3 | -152.8 | 171.2 | -176.6 | 175.8 | 0 | 115.4 | E1345 | E1345-K1347 VanDerWaalsContact C-N 3.26Å; E1345-K1347 PolarHBondContact O-N 3.13Å | ||
| 1348 | K | 33.3 | Very low | 42.2 | Very low | 199 Ų | 199 | 127.3 Ų | 127.3 | 87% | 0.865 | 69% | 0.693 | S | S | * | * | trans | -139.1 | 62.4 | 178.2 | -154.7 | 174.7 | -176.6 | 175.5 | 0 | 117.2 | ||||
| 1349 | T | 34.9 | Very low | 41.2 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | -148.7 | 141.3 | 154.7 | 48.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1350 | S | 34.5 | Very low | 39.7 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | cis | -148.2 | 141.5 | 25.3 | 54 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1351 | D | 33.9 | Very low | 38.4 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | trans | 60.3 | 141.7 | 138.2 | -63.1 | -55.3 | 0 | 0 | 0 | 126.3 | ||||
| 1352 | A | 33.5 | Very low | 37.3 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 89.3 | 93.5 | 143.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1353 | S | 37.4 | Very low | 36.2 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | 88.6 | 97.2 | 128.5 | -67.5 | 0 | 0 | 0 | 0 | 124 | |||||
| 1354 | K | 37.2 | Very low | 35.3 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | 81.2 | 131.2 | 119.2 | -69.3 | 169.4 | -178.9 | 172.8 | 0 | 121.7 | |||||
| 1355 | R | 35 | Very low | 34.4 | Very low | 240 Ų | 240 | 150.2 Ų | 150.2 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | 75.6 | 114 | 171.8 | -53.5 | 173.3 | -173.7 | 157.3 | 1 | 113.1 | ||||
| 1356 | A | 32.2 | Very low | 33.9 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | cis | 71.2 | 128.9 | 49.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1357 | C | 31.2 | Very low | 33.8 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | cis | -156 | 148.9 | 11.8 | -129.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1358 | N | 31.2 | Very low | 33.6 | Very low | 149 Ų | 149 | 148 Ų | 148 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 61.2 | 142.2 | 150.3 | -59.6 | 0.7 | 0 | 0 | 0 | 119.6 | ||||
| 1359 | L | 33.3 | Very low | 33.7 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | cis | -159.5 | 130.2 | -11.9 | 175.2 | 68.8 | 0 | 0 | 0 | 107.8 | ||||
| 1360 | T | 28.4 | Very low | 34.2 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -150.7 | 152.2 | -175 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1361 | D | 31.5 | Very low | 34.5 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | 35.8 | 119.9 | 153.2 | -66.6 | -46.1 | 0 | 0 | 0 | 121.1 | ||||
| 1362 | T | 31.6 | Very low | 34.8 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 94% | 0.939 | 73% | 0.732 | S | S | * | * | trans | -118.7 | 51.7 | 154.9 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1363 | Q | 31 | Very low | 35.6 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | trans | -100.2 | 100.6 | 156.1 | -82.3 | -160.4 | 11.2 | 0 | 0 | 110.2 | ||||
| 1364 | K | 32.6 | Very low | 36.1 | Very low | 191 Ų | 191 | 134.5 Ų | 134.5 | 83% | 0.83 | 70% | 0.697 | S | S | * | * | trans | 176.3 | 104.4 | 155.1 | -102.8 | 154.9 | -177.4 | 173.1 | 0 | 111.5 | ||||
| 1365 | E | 34.2 | Very low | 36.6 | Very low | 193 Ų | 193 | 130.5 Ų | 130.5 | 90% | 0.902 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -168 | -36.3 | 143.7 | -113.3 | 164.1 | -169.2 | 0 | 0 | 112 | K1367 | E1365-K1367 VanDerWaalsContact C-N 3.25Å; E1365-K1367 PolarHBondContact O-N 3Å |
| 1366 | V | 38.4 | Very low | 37.7 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 79% | 0.794 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -68.4 | -20.8 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 113.5 | E1368 | V1366-E1368 PolarHBondContact O-N 2.95Š|
| 1367 | K | 36.7 | Very low | 39.1 | Very low | 132 Ų | 132 | 119.2 Ų | 119.2 | 57% | 0.574 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -72.1 | -18.5 | -164.7 | -164.2 | 159.9 | -172.5 | 163 | 0 | 115.4 | E1365 M1371 | E1365-K1367 VanDerWaalsContact C-N 3.25Å; E1365-K1367 PolarHBondContact O-N 3Å; K1367-M1371 WeakPolarHBondContact O-CG 3.43Å |
| 1368 | E | 32.9 | Very low | 40.8 | Very low | 173 Ų | 173 | 119.6 Ų | 119.6 | 81% | 0.808 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -80.6 | -29.3 | -166.7 | -162.9 | 163.3 | -135.2 | 0 | 0 | 114 | V1366 | V1366-E1368 PolarHBondContact O-N 2.95Š|
| 1369 | M | 37.1 | Very low | 42.8 | Very low | 183 Ų | 183 | 119.4 Ų | 119.4 | 90% | 0.901 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -25.2 | -177.1 | -170 | 161.6 | 166 | 0 | 0 | 113.8 | ||
| 1370 | V | 45.2 | Very low | 45.3 | Very low | 46 Ų | 46 | 112.3 Ų | 112.3 | 28% | 0.279 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -30.1 | 178.5 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | G1372 L1373 | V1370-G1372 PolarHBondContact O-N 3.24Å; V1370-L1373 PolarHBondContact O-N 3.05Å; V1370-L1373 VanDerWaalsContact O-N 3.15Å |
| 1371 | M | 39.4 | Very low | 48.3 | Very low | 115 Ų | 115 | 109.9 Ų | 109.9 | 57% | 0.567 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -12.5 | -175.5 | -73.1 | -173 | 69.3 | 0 | 0 | 114.7 | K1367 L1373 | K1367-M1371 WeakPolarHBondContact O-CG 3.43Å; M1371-L1373 VanDerWaalsContact C-N 3.3Å; M1371-L1373 PolarHBondContact O-N 3.04Å |
| 1372 | G | 40.6 | Very low | 51.3 | Low | 30 Ų | 30 | 105 Ų | 105 | 31% | 0.309 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | -23.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | V1370 | V1370-G1372 PolarHBondContact O-N 3.24Š|
| 1373 | L | 51.5 | Low | 54.3 | Low | 47 Ų | 47 | 99.6 Ų | 99.6 | 25% | 0.246 | 52% | 0.519 | C | S | . | . | G | 310 helix | trans | -87.9 | -23.2 | -176.6 | -61.9 | 176.7 | 0 | 0 | 0 | 113.4 | V1370 M1371 V1375 L1376 W1384 | V1370-L1373 PolarHBondContact O-N 3.05Å; V1370-L1373 VanDerWaalsContact O-N 3.15Å; M1371-L1373 VanDerWaalsContact C-N 3.3Å; M1371-L1373 PolarHBondContact O-N 3.04Å; L1373-V1375 PolarHBondContact O-N 3.09Å; L1373-L1376 HydrophobicContact CB-CD1 4.43Å; L1373-L1376 HydrophobicContact CD2-CD1 3.82Å; L1373-L1376 WeakPolarHBondContact O-CB 3.14Å; L1373-L1376 WeakPolarHBondContact O-CG 3.34Å; L1373-L1376 PolarHBondContact O-N 3.37Å; L1373-L1376 VanDerWaalsContact O-N 3.12Å; L1373-W1384 HydrophobicContact CB-CH2 4.28Å; L1373-W1384 HydrophobicContact CB-CZ2 3.75Å; L1373-W1384 HydrophobicContact CD1-CH2 3.5Å; L1373-W1384 HydrophobicContact CD1-CZ2 3.83Å; L1373-W1384 HydrophobicContact CD1-CZ3 4.32Å; L1373-W1384 HydrophobicContact CG-CZ2 4.45Å |
| 1374 | N | 46.5 | Very low | 57.4 | Low | 85 Ų | 85 | 94.6 Ų | 94.6 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -64 | -3.2 | 175.7 | -65.4 | -1.7 | 0 | 0 | 0 | 113.7 | W1384 | N1374-W1384 PolarHBondContact OD1-NE1 3.5Š|
| 1375 | V | 48.5 | Very low | 60.4 | Low | 104 Ų | 104 | 85.8 Ų | 85.8 | 63% | 0.63 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -90.5 | -14.8 | 178.9 | -174.5 | 0 | 0 | 0 | 0 | 112.2 | L1373 | L1373-V1375 PolarHBondContact O-N 3.09Š|
| 1376 | L | 58.6 | Low | 63.4 | Low | 84 Ų | 84 | 76.8 Ų | 76.8 | 44% | 0.44 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -72.6 | -34.5 | -162.6 | -70.6 | 176.1 | 0 | 0 | 0 | 115.8 | L1373 I1404 | L1373-L1376 HydrophobicContact CB-CD1 4.43Å; L1373-L1376 HydrophobicContact CD2-CD1 3.82Å; L1373-L1376 WeakPolarHBondContact O-CB 3.14Å; L1373-L1376 WeakPolarHBondContact O-CG 3.34Å; L1373-L1376 PolarHBondContact O-N 3.37Å; L1373-L1376 VanDerWaalsContact O-N 3.12Å; L1376-I1404 HydrophobicContact CB-CG1 4.25Å |
| 1377 | D | 60.9 | Low | 66 | Low | 13 Ų | 13 | 76.7 Ų | 76.7 | 7% | 0.07 | 41% | 0.409 | C | S | . | . | trans | -160.4 | 111.7 | 165.3 | -164.5 | -30.4 | 0 | 0 | 0 | 111.3 | H1379 T1380 K1403 | D1377-H1379 PolarHBondContact O-N 2.95Å; D1377-H1379 VanDerWaalsContact O-N 3.11Å; D1377-H1379 WeakPolarHBondContact OD1-CB 3.11Å; D1377-H1379 IonicContact OD1-CD2 2.78Å; D1377-H1379 PolarHBondContact OD1-CD2 3.2Å; D1377-H1379 IonicContact OD1-CG 3.26Å; D1377-H1379 PolarHBondContact OD1-N 2.85Å; D1377-T1380 PolarHBondContact O-N 2.96Å; D1377-K1403 HydrophobicContact CB-CD 4.42Å; D1377-K1403 WeakPolarHBondContact OD2-CD 3.45Å; D1377-K1403 IonicContact OD2-NZ 2.74Å; D1377-K1403 PolarHBondContact OD2-NZ 3.28Å | ||
| 1378 | P | 66 | Low | 68.7 | Low | 114 Ų | 114 | 71.2 Ų | 71.2 | 74% | 0.74 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -4.9 | 178.8 | 30.4 | -35.9 | 0 | 0 | 0 | 114 | ||
| 1379 | H | 74 | Confident | 71.8 | Confident | 145 Ų | 145 | 66.2 Ų | 66.2 | 67% | 0.671 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 8.8 | 177.9 | -51.3 | -65 | 0 | 0 | 0 | 113.7 | D1377 N1398 | D1377-H1379 PolarHBondContact O-N 2.95Å; D1377-H1379 VanDerWaalsContact O-N 3.11Å; D1377-H1379 WeakPolarHBondContact OD1-CB 3.11Å; D1377-H1379 IonicContact OD1-CD2 2.78Å; D1377-H1379 PolarHBondContact OD1-CD2 3.2Å; D1377-H1379 IonicContact OD1-CG 3.26Å; D1377-H1379 PolarHBondContact OD1-N 2.85Å; H1379-N1398 PolarHBondContact O-ND2 2.85Å |
| 1380 | T | 85.7 | Confident | 74.7 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -112.2 | 113.8 | 178.2 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | D1377 H1382 L1393 N1400 N1401 I1404 | D1377-T1380 PolarHBondContact O-N 2.96Å; T1380-H1382 PolarHBondContact O-N 2.89Å; T1380-H1382 PolarHBondContact O-ND1 3.43Å; T1380-L1393 HydrophobicContact CG2-CD2 4.1Å; T1380-N1400 WeakPolarHBondContact OG1-CB 3.34Å; T1380-N1401 WeakPolarHBondContact CG2-OD1 3.29Å; T1380-I1404 HydrophobicContact CG2-CD1 3.93Å |
| 1381 | S | 91.8 | Very high | 77.2 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 49% | 0.49 | 31% | 0.309 | S | S | . | . | trans | -73.7 | 112.1 | -179.2 | -169.8 | 0 | 0 | 0 | 0 | 111 | H1394 | S1381-H1394 PolarHBondContact O-N 3.15Š| ||
| 1382 | H | 94.4 | Very high | 80 | Confident | 41 Ų | 41 | 50 Ų | 50 | 19% | 0.19 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 160.8 | -176.2 | 71.8 | -75.9 | 0 | 0 | 0 | 111.9 | T1380 W1384 L1391 C1392 L1393 | T1380-H1382 PolarHBondContact O-N 2.89Å; T1380-H1382 PolarHBondContact O-ND1 3.43Å; H1382-W1384 AromaticContact CD2-NE1 3.75Å; H1382-W1384 AromaticContact NE2-NE1 3.87Å; H1382-L1391 HydrophobicContact CB-CD1 4.06Å; H1382-C1392 CarbonylContact C-O 3.56Å; H1382-C1392 WeakPolarHBondContact CA-O 3.29Å; H1382-C1392 WeakPolarHBondContact CB-O 3.22Å; H1382-L1393 HydrophobicContact CB-CD2 3.94Å |
| 1383 | S | 94.5 | Very high | 82.7 | Confident | 39 Ų | 39 | 48.5 Ų | 48.5 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | -178.7 | 169.9 | 62.5 | 0 | 0 | 0 | 0 | 110.2 | C1392 H1394 | S1383-C1392 PolarHBondContact N-O 2.76Å; S1383-C1392 PolarHBondContact O-N 3.16Å; S1383-H1394 WeakPolarHBondContact CB-NE2 3.45Å; S1383-H1394 PolarHBondContact OG-CE1 3.37Å; S1383-H1394 VanDerWaalsContact OG-CE1 3.28Å; S1383-H1394 PolarHBondContact OG-NE2 3.25Å |
| 1384 | W | 96.1 | Very high | 84.8 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 16% | 0.159 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 126.4 | 179.7 | -59.2 | 88.8 | 0 | 0 | 0 | 110.8 | L1373 N1374 H1382 L1390 L1391 | L1373-W1384 HydrophobicContact CB-CH2 4.28Å; L1373-W1384 HydrophobicContact CB-CZ2 3.75Å; L1373-W1384 HydrophobicContact CD1-CH2 3.5Å; L1373-W1384 HydrophobicContact CD1-CZ2 3.83Å; L1373-W1384 HydrophobicContact CD1-CZ3 4.32Å; L1373-W1384 HydrophobicContact CG-CZ2 4.45Å; N1374-W1384 PolarHBondContact OD1-NE1 3.5Å; H1382-W1384 AromaticContact CD2-NE1 3.75Å; H1382-W1384 AromaticContact NE2-NE1 3.87Å; W1384-L1390 CarbonylContact C-O 3.59Å; W1384-L1390 VanDerWaalsContact CA-O 3.28Å; W1384-L1390 WeakPolarHBondContact CA-O 3.3Å; W1384-L1391 HydrophobicContact CE3-CB 4.22Å; W1384-L1391 HydrophobicContact CH2-CB 4.18Å; W1384-L1391 HydrophobicContact CH2-CD1 4.09Å; W1384-L1391 HydrophobicContact CZ2-CD1 4.05Å; W1384-L1391 HydrophobicContact CZ3-CB 3.82Å; W1384-L1391 HydrophobicContact CZ3-CD1 4.41Å |
| 1385 | L | 96.2 | Very high | 87.1 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -177.7 | 176.9 | -60.9 | 177.1 | 0 | 0 | 0 | 110.3 | D1387 G1388 R1389 L1390 C1392 V1598 | L1385-D1387 VanDerWaalsContact C-N 3.33Å; L1385-D1387 PolarHBondContact O-N 3.15Å; L1385-G1388 PolarHBondContact O-N 2.89Å; L1385-G1388 VanDerWaalsContact O-N 3.09Å; L1385-R1389 PolarHBondContact O-N 3.36Å; L1385-L1390 HydrophobicContact CB-CB 4.23Å; L1385-L1390 HydrophobicContact CB-CD2 4.16Å; L1385-L1390 HydrophobicContact CB-CG 4.41Å; L1385-L1390 PolarHBondContact N-O 3.24Å; L1385-L1390 PolarHBondContact O-N 2.84Å; L1385-C1392 HydrophobicContact CD1-CB 4.14Å; L1385-C1392 HydrophobicContact CG-CB 4.23Å; L1385-V1598 HydrophobicContact CD2-CB 4.04Å; L1385-V1598 HydrophobicContact CD2-CG1 3.9Å |
| 1386 | C | 96.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | 51 | 48.3 | -178.7 | -49 | 0 | 0 | 0 | 0 | 112.7 | G1388 R1389 L1390 D1596 A1672 | C1386-G1388 VanDerWaalsContact C-N 3.32Å; C1386-G1388 PolarHBondContact O-N 2.95Å; C1386-R1389 HydrophobicContact CB-CB 4.41Å; C1386-R1389 WeakPolarHBondContact O-CB 3.41Å; C1386-R1389 VanDerWaalsContact O-CG 3.29Å; C1386-R1389 WeakPolarHBondContact O-CG 3.35Å; C1386-R1389 PolarHBondContact O-N 2.81Å; C1386-R1389 PolarHBondContact O-NE 3.42Å; C1386-L1390 HydrophobicContact CB-CB 4.05Å; C1386-D1596 PolarHBondContact N-OD1 3.35Å; C1386-A1672 PolarHBondContact SG-O 2.85Å |
| 1387 | D | 94.1 | Very high | 91.1 | Very high | 128 Ų | 128 | 43.5 Ų | 43.5 | 68% | 0.684 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | 60.5 | 32.7 | -176.9 | -51.8 | -58.2 | 0 | 0 | 0 | 115.2 | L1385 | L1385-D1387 VanDerWaalsContact C-N 3.33Å; L1385-D1387 PolarHBondContact O-N 3.15Å |
| 1388 | G | 93.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | 93.4 | 9.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1385 C1386 | L1385-G1388 PolarHBondContact O-N 2.89Å; L1385-G1388 VanDerWaalsContact O-N 3.09Å; C1386-G1388 VanDerWaalsContact C-N 3.32Å; C1386-G1388 PolarHBondContact O-N 2.95Å |
| 1389 | R | 96.9 | Very high | 93.9 | Very high | 67 Ų | 67 | 47.9 Ų | 47.9 | 25% | 0.253 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -10.8 | -173 | -55.1 | -179.4 | -61.7 | 125.9 | -4.8 | 114.8 | L1385 C1386 G1670 W1671 | L1385-R1389 PolarHBondContact O-N 3.36Å; C1386-R1389 HydrophobicContact CB-CB 4.41Å; C1386-R1389 WeakPolarHBondContact O-CB 3.41Å; C1386-R1389 VanDerWaalsContact O-CG 3.29Å; C1386-R1389 WeakPolarHBondContact O-CG 3.35Å; C1386-R1389 PolarHBondContact O-N 2.81Å; C1386-R1389 PolarHBondContact O-NE 3.42Å; R1389-G1670 PolarHBondContact NH1-O 2.9Å; R1389-G1670 PolarHBondContact NH2-O 2.92Å; R1389-G1670 VanDerWaalsContact NH2-O 3.11Å; R1389-W1671 PolarHBondContact O-NE1 2.91Å |
| 1390 | L | 97.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.6 | 178 | 172.9 | 62.1 | 0 | 0 | 0 | 109.7 | W1384 L1385 C1386 P1414 L1416 I1673 | W1384-L1390 CarbonylContact C-O 3.59Å; W1384-L1390 VanDerWaalsContact CA-O 3.28Å; W1384-L1390 WeakPolarHBondContact CA-O 3.3Å; L1385-L1390 HydrophobicContact CB-CB 4.23Å; L1385-L1390 HydrophobicContact CB-CD2 4.16Å; L1385-L1390 HydrophobicContact CB-CG 4.41Å; L1385-L1390 PolarHBondContact N-O 3.24Å; L1385-L1390 PolarHBondContact O-N 2.84Å; C1386-L1390 HydrophobicContact CB-CB 4.05Å; L1390-P1414 HydrophobicContact CD1-CB 4.47Å; L1390-P1414 HydrophobicContact CD1-CG 4.33Å; L1390-P1414 VanDerWaalsContact CD1-O 3.29Å; L1390-P1414 WeakPolarHBondContact CD1-O 3.44Å; L1390-L1416 HydrophobicContact CD1-CB 4.49Å; L1390-L1416 HydrophobicContact CD2-CB 4.41Å; L1390-I1673 HydrophobicContact CD1-CD1 4.23Å; L1390-I1673 HydrophobicContact CD2-CB 4.48Å; L1390-I1673 HydrophobicContact CD2-CD1 3.75Å; L1390-I1673 HydrophobicContact CD2-CG1 3.87Å; L1390-I1673 HydrophobicContact CD2-CG2 3.9Å |
| 1391 | L | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127.8 | 171.6 | 175.2 | 65.8 | 0 | 0 | 0 | 109.9 | H1382 W1384 L1393 I1404 V1415 L1416 | H1382-L1391 HydrophobicContact CB-CD1 4.06Å; W1384-L1391 HydrophobicContact CE3-CB 4.22Å; W1384-L1391 HydrophobicContact CH2-CB 4.18Å; W1384-L1391 HydrophobicContact CH2-CD1 4.09Å; W1384-L1391 HydrophobicContact CZ2-CD1 4.05Å; W1384-L1391 HydrophobicContact CZ3-CB 3.82Å; W1384-L1391 HydrophobicContact CZ3-CD1 4.41Å; L1391-L1393 HydrophobicContact CD1-CD2 4.36Å; L1391-L1393 HydrophobicContact CD2-CD1 4.49Å; L1391-L1393 HydrophobicContact CD2-CD2 4.32Å; L1391-L1393 HydrophobicContact CD2-CG 4.26Å; L1391-L1393 HydrophobicContact CG-CD2 4.43Å; L1391-L1393 HydrophobicContact CG-CG 4.27Å; L1391-I1404 HydrophobicContact CD1-CG2 3.89Å; L1391-I1404 HydrophobicContact CD2-CB 4.31Å; L1391-I1404 HydrophobicContact CD2-CG2 3.86Å; L1391-V1415 HydrophobicContact CB-CG1 4.1Å; L1391-V1415 HydrophobicContact CB-CG2 4.34Å; L1391-V1415 HydrophobicContact CD2-CG1 3.91Å; L1391-V1415 HydrophobicContact CD2-CG2 4.39Å; L1391-V1415 HydrophobicContact CG-CG1 4.04Å; L1391-L1416 PolarHBondContact O-N 2.87Å |
| 1392 | C | 97.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 114.4 | 170.8 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | H1382 S1383 L1385 H1394 L1416 | H1382-C1392 CarbonylContact C-O 3.56Å; H1382-C1392 WeakPolarHBondContact CA-O 3.29Å; H1382-C1392 WeakPolarHBondContact CB-O 3.22Å; S1383-C1392 PolarHBondContact N-O 2.76Å; S1383-C1392 PolarHBondContact O-N 3.16Å; L1385-C1392 HydrophobicContact CD1-CB 4.14Å; L1385-C1392 HydrophobicContact CG-CB 4.23Å; C1392-H1394 PolarHBondContact SG-CE1 2.91Å; C1392-L1416 CarbonylContact C-O 3.51Å; C1392-L1416 WeakPolarHBondContact CA-O 3.05Å; C1392-L1416 HydrophobicContact CB-CD2 4.47Å |
| 1393 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 137.6 | 173.7 | -64.6 | 170 | 0 | 0 | 0 | 110.1 | T1380 H1382 L1391 N1401 V1415 L1416 V1417 S1418 | T1380-L1393 HydrophobicContact CG2-CD2 4.1Å; H1382-L1393 HydrophobicContact CB-CD2 3.94Å; L1391-L1393 HydrophobicContact CD1-CD2 4.36Å; L1391-L1393 HydrophobicContact CD2-CD1 4.49Å; L1391-L1393 HydrophobicContact CD2-CD2 4.32Å; L1391-L1393 HydrophobicContact CD2-CG 4.26Å; L1391-L1393 HydrophobicContact CG-CD2 4.43Å; L1391-L1393 HydrophobicContact CG-CG 4.27Å; L1393-N1401 HydrophobicContact CD1-CB 3.9Å; L1393-V1415 HydrophobicContact CD1-CG1 4.41Å; L1393-L1416 PolarHBondContact N-O 2.87Å; L1393-V1417 HydrophobicContact CB-CB 4.46Å; L1393-V1417 HydrophobicContact CB-CG1 4.11Å; L1393-V1417 HydrophobicContact CB-CG2 4.19Å; L1393-V1417 HydrophobicContact CD1-CG2 4.02Å; L1393-S1418 PolarHBondContact O-N 2.66Å; L1393-S1418 PolarHBondContact O-OG 3.39Å |
| 1394 | H | 95.9 | Very high | 95.3 | Very high | 81 Ų | 81 | 43.4 Ų | 43.4 | 38% | 0.375 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -107.6 | -12.5 | -170.3 | -66.1 | -54 | 0 | 0 | 0 | 116.3 | S1381 S1383 C1392 S1418 | S1381-H1394 PolarHBondContact O-N 3.15Å; S1383-H1394 WeakPolarHBondContact CB-NE2 3.45Å; S1383-H1394 PolarHBondContact OG-CE1 3.37Å; S1383-H1394 VanDerWaalsContact OG-CE1 3.28Å; S1383-H1394 PolarHBondContact OG-NE2 3.25Å; C1392-H1394 PolarHBondContact SG-CE1 2.91Å; H1394-S1418 WeakPolarHBondContact CA-OG 3.23Å; H1394-S1418 PolarHBondContact ND1-OG 3.19Å |
| 1395 | D | 95.2 | Very high | 95.3 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | trans | -121.4 | 108.7 | 169.2 | 173.6 | 7.2 | 0 | 0 | 0 | 108.5 | S1397 N1398 N1401 | D1395-S1397 PolarHBondContact O-N 3.47Å; D1395-S1397 WeakPolarHBondContact OD1-CA 3.25Å; D1395-S1397 WeakPolarHBondContact OD1-CB 3.45Å; D1395-S1397 PolarHBondContact OD1-N 2.84Å; D1395-S1397 PolarHBondContact OD1-OG 3.27Å; D1395-N1398 HydrophobicContact CB-CB 4.03Å; D1395-N1398 PolarHBondContact O-N 3.48Å; D1395-N1398 PolarHBondContact OD1-N 3.42Å; D1395-N1398 WeakPolarHBondContact OD2-CB 3.25Å; D1395-N1398 PolarHBondContact OD2-N 2.89Å; D1395-N1401 PolarHBondContact O-ND2 3.41Å | ||
| 1396 | P | 96.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.4 | -179 | 27.6 | -34 | 0 | 0 | 0 | 112.7 | V1417 V1420 K1423 P1510 | P1396-V1417 HydrophobicContact CB-CG1 3.88Å; P1396-V1420 HydrophobicContact CB-CG2 3.93Å; P1396-V1420 HydrophobicContact CG-CG2 4.45Å; P1396-K1423 HydrophobicContact CG-CG 4.21Å; P1396-P1510 HydrophobicContact CB-CB 4.14Å |
| 1397 | S | 94.8 | Very high | 95.1 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 43% | 0.434 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 0.7 | -178.3 | 48.1 | 0 | 0 | 0 | 0 | 115.2 | D1395 K1399 K1423 | D1395-S1397 PolarHBondContact O-N 3.47Å; D1395-S1397 WeakPolarHBondContact OD1-CA 3.25Å; D1395-S1397 WeakPolarHBondContact OD1-CB 3.45Å; D1395-S1397 PolarHBondContact OD1-N 2.84Å; D1395-S1397 PolarHBondContact OD1-OG 3.27Å; S1397-K1399 PolarHBondContact O-N 2.6Å; S1397-K1423 VanDerWaalsContact OG-CE 3.27Å; S1397-K1423 WeakPolarHBondContact OG-CE 3.37Å; S1397-K1423 PolarHBondContact OG-NZ 3.16Å |
| 1398 | N | 93.9 | Very high | 95.2 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | trans | -72.3 | 117.3 | 180 | -172.5 | -27 | 0 | 0 | 0 | 111.6 | H1379 D1395 N1400 N1401 | H1379-N1398 PolarHBondContact O-ND2 2.85Å; D1395-N1398 HydrophobicContact CB-CB 4.03Å; D1395-N1398 PolarHBondContact O-N 3.48Å; D1395-N1398 PolarHBondContact OD1-N 3.42Å; D1395-N1398 WeakPolarHBondContact OD2-CB 3.25Å; D1395-N1398 PolarHBondContact OD2-N 2.89Å; N1398-N1400 PolarHBondContact O-N 2.84Å; N1398-N1400 WeakPolarHBondContact OD1-CB 3.07Å; N1398-N1400 PolarHBondContact OD1-N 3.09Å; N1398-N1400 PolarHBondContact OD1-ND2 2.91Å; N1398-N1401 WeakPolarHBondContact O-CB 3.48Å; N1398-N1401 PolarHBondContact O-N 3.43Å; N1398-N1401 VanDerWaalsContact O-N 3.09Å; N1398-N1401 PolarHBondContact O-ND2 2.97Å | ||
| 1399 | K | 92.6 | Very high | 95.4 | Very high | 188 Ų | 188 | 40.4 Ų | 40.4 | 82% | 0.817 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11.6 | -177.9 | -60.9 | -176.9 | -179.2 | -178.9 | 0 | 114.7 | S1397 W1402 | S1397-K1399 PolarHBondContact O-N 2.6Å; K1399-W1402 VanDerWaalsContact O-CD1 3.28Å; K1399-W1402 PolarHBondContact O-NE1 3.18Å |
| 1400 | N | 93.4 | Very high | 95.3 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -9.2 | 177 | -61.6 | -63.9 | 0 | 0 | 0 | 113.9 | T1380 N1398 W1402 K1403 | T1380-N1400 WeakPolarHBondContact OG1-CB 3.34Å; N1398-N1400 PolarHBondContact O-N 2.84Å; N1398-N1400 WeakPolarHBondContact OD1-CB 3.07Å; N1398-N1400 PolarHBondContact OD1-N 3.09Å; N1398-N1400 PolarHBondContact OD1-ND2 2.91Å; N1400-W1402 PolarHBondContact O-N 3.31Å; N1400-K1403 HydrophobicContact CB-CD 4.28Å; N1400-K1403 WeakPolarHBondContact O-CB 3.38Å; N1400-K1403 WeakPolarHBondContact O-CG 3.25Å; N1400-K1403 PolarHBondContact O-N 3.11Å; N1400-K1403 WeakPolarHBondContact OD1-CE 3.17Å; N1400-K1403 PolarHBondContact OD1-NZ 3.22Å |
| 1401 | N | 95.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -48.9 | -37.9 | -176.3 | -79.9 | -10.2 | 0 | 0 | 0 | 113.9 | T1380 L1393 D1395 N1398 K1403 I1404 F1405 L1511 | T1380-N1401 WeakPolarHBondContact CG2-OD1 3.29Å; L1393-N1401 HydrophobicContact CD1-CB 3.9Å; D1395-N1401 PolarHBondContact O-ND2 3.41Å; N1398-N1401 WeakPolarHBondContact O-CB 3.48Å; N1398-N1401 PolarHBondContact O-N 3.43Å; N1398-N1401 VanDerWaalsContact O-N 3.09Å; N1398-N1401 PolarHBondContact O-ND2 2.97Å; N1401-K1403 PolarHBondContact O-N 3.07Å; N1401-K1403 VanDerWaalsContact O-N 3.14Å; N1401-I1404 PolarHBondContact O-N 3.34Å; N1401-F1405 WeakPolarHBondContact O-CB 3.46Å; N1401-F1405 PolarHBondContact O-N 3.27Å; N1401-F1405 VanDerWaalsContact O-N 3.14Å; N1401-L1511 HydrophobicContact CB-CD2 3.76Å |
| 1402 | W | 93.8 | Very high | 95 | Very high | 81 Ų | 81 | 48.1 Ų | 48.1 | 31% | 0.307 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59 | -26.5 | -178.7 | 70.7 | -101.6 | 0 | 0 | 0 | 113.5 | K1399 N1400 R1406 L1511 Y1514 | K1399-W1402 VanDerWaalsContact O-CD1 3.28Å; K1399-W1402 PolarHBondContact O-NE1 3.18Å; N1400-W1402 PolarHBondContact O-N 3.31Å; W1402-R1406 WeakPolarHBondContact O-CB 3.42Å; W1402-R1406 PolarHBondContact O-N 2.99Å; W1402-L1511 HydrophobicContact CB-CD2 4.06Å; W1402-Y1514 HydrophobicContact CB-CE2 4.11Å |
| 1403 | K | 92.2 | Very high | 95 | Very high | 76 Ų | 76 | 49.7 Ų | 49.7 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.8 | -47.3 | -176.7 | -62.5 | 177.4 | -167 | 171.1 | 0 | 112 | D1377 N1400 N1401 | D1377-K1403 HydrophobicContact CB-CD 4.42Å; D1377-K1403 WeakPolarHBondContact OD2-CD 3.45Å; D1377-K1403 IonicContact OD2-NZ 2.74Å; D1377-K1403 PolarHBondContact OD2-NZ 3.28Å; N1400-K1403 HydrophobicContact CB-CD 4.28Å; N1400-K1403 WeakPolarHBondContact O-CB 3.38Å; N1400-K1403 WeakPolarHBondContact O-CG 3.25Å; N1400-K1403 PolarHBondContact O-N 3.11Å; N1400-K1403 WeakPolarHBondContact OD1-CE 3.17Å; N1400-K1403 PolarHBondContact OD1-NZ 3.22Å; N1401-K1403 PolarHBondContact O-N 3.07Å; N1401-K1403 VanDerWaalsContact O-N 3.14Å |
| 1404 | I | 93.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -81.4 | -44.2 | -178.9 | -48.7 | -177.2 | 0 | 0 | 0 | 109.3 | L1376 T1380 L1391 N1401 R1406 E1407 | L1376-I1404 HydrophobicContact CB-CG1 4.25Å; T1380-I1404 HydrophobicContact CG2-CD1 3.93Å; L1391-I1404 HydrophobicContact CD1-CG2 3.89Å; L1391-I1404 HydrophobicContact CD2-CB 4.31Å; L1391-I1404 HydrophobicContact CD2-CG2 3.86Å; N1401-I1404 PolarHBondContact O-N 3.34Å; I1404-R1406 VanDerWaalsContact C-N 3.31Å; I1404-R1406 PolarHBondContact O-N 2.63Å; I1404-E1407 PolarHBondContact O-N 3.15Å |
| 1405 | F | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -48.4 | -50.9 | 174.3 | 168.2 | -99.1 | 0 | 0 | 0 | 112.2 | N1401 E1407 C1408 W1409 V1415 L1511 Y1514 F1682 | N1401-F1405 WeakPolarHBondContact O-CB 3.46Å; N1401-F1405 PolarHBondContact O-N 3.27Å; N1401-F1405 VanDerWaalsContact O-N 3.14Å; F1405-E1407 VanDerWaalsContact C-N 3.28Å; F1405-E1407 PolarHBondContact O-N 3.28Å; F1405-C1408 PolarHBondContact O-N 2.67Å; F1405-C1408 VanDerWaalsContact O-N 3.15Å; F1405-W1409 HydrophobicContact CD1-CB 4.28Å; F1405-W1409 HydrophobicContact CE1-CB 3.93Å; F1405-W1409 HydrophobicContact CE1-CD2 4.14Å; F1405-W1409 AromaticContact CE1-CG 3.76Å; F1405-W1409 HydrophobicContact CE1-CG 3.76Å; F1405-W1409 HydrophobicContact CE2-CB 4.24Å; F1405-W1409 AromaticContact CE2-CD2 3.77Å; F1405-W1409 HydrophobicContact CE2-CD2 3.77Å; F1405-W1409 AromaticContact CE2-CE3 3.58Å; F1405-W1409 HydrophobicContact CE2-CE3 3.58Å; F1405-W1409 HydrophobicContact CE2-CG 4.1Å; F1405-W1409 HydrophobicContact CE2-CZ3 4.15Å; F1405-W1409 HydrophobicContact CZ-CB 3.92Å; F1405-W1409 AromaticContact CZ-CD1 3.97Å; F1405-W1409 AromaticContact CZ-CD2 3.36Å; F1405-W1409 HydrophobicContact CZ-CD2 3.36Å; F1405-W1409 AromaticContact CZ-CE2 3.8Å; F1405-W1409 AromaticContact CZ-CE3 3.69Å; F1405-W1409 HydrophobicContact CZ-CE3 3.69Å; F1405-W1409 AromaticContact CZ-CG 3.49Å; F1405-W1409 HydrophobicContact CZ-CG 3.49Å; F1405-W1409 VanDerWaalsContact CZ-CG 3.49Å; F1405-W1409 HydrophobicContact CZ-CZ2 4.42Å; F1405-W1409 HydrophobicContact CZ-CZ3 4.34Å; F1405-W1409 VanDerWaalsContact O-CB 3.27Å; F1405-W1409 WeakPolarHBondContact O-CB 3.37Å; F1405-W1409 PolarHBondContact O-N 3.29Å; F1405-V1415 HydrophobicContact CD2-CB 3.99Å; F1405-V1415 HydrophobicContact CD2-CG1 4.03Å; F1405-V1415 HydrophobicContact CD2-CG2 3.81Å; F1405-V1415 HydrophobicContact CE2-CB 4.2Å; F1405-V1415 HydrophobicContact CE2-CG2 4.13Å; F1405-L1511 HydrophobicContact CB-CD1 4.03Å; F1405-L1511 HydrophobicContact CB-CD2 4.17Å; F1405-L1511 HydrophobicContact CD1-CD1 3.95Å; F1405-L1511 HydrophobicContact CD1-CD2 4.29Å; F1405-L1511 HydrophobicContact CD2-CD1 3.31Å; F1405-L1511 HydrophobicContact CE1-CD1 4.22Å; F1405-L1511 HydrophobicContact CE2-CD1 3.63Å; F1405-L1511 HydrophobicContact CG-CD1 3.48Å; F1405-L1511 VanDerWaalsContact CG-CD1 3.48Å; F1405-L1511 HydrophobicContact CG-CD2 4.19Å; F1405-L1511 HydrophobicContact CZ-CD1 4.08Å; F1405-Y1514 HydrophobicContact CD1-CD2 4.36Å; F1405-Y1514 AromaticContact CD1-CE2 3.87Å; F1405-Y1514 HydrophobicContact CD1-CE2 3.87Å; F1405-Y1514 HydrophobicContact CE1-CD1 4.18Å; F1405-Y1514 AromaticContact CE1-CD2 3.95Å; F1405-Y1514 HydrophobicContact CE1-CD2 3.95Å; F1405-Y1514 HydrophobicContact CE1-CE1 4.01Å; F1405-Y1514 AromaticContact CE1-CE2 3.78Å; F1405-Y1514 HydrophobicContact CE1-CE2 3.78Å; F1405-Y1514 HydrophobicContact CE1-CG 4.15Å; F1405-Y1514 AromaticContact CE1-CZ 3.8Å; F1405-F1682 HydrophobicContact CE2-CB 4.43Å; F1405-F1682 AromaticContact CE2-CD1 3.83Å; F1405-F1682 HydrophobicContact CE2-CD1 3.83Å; F1405-F1682 HydrophobicContact CE2-CE1 4.33Å; F1405-F1682 HydrophobicContact CE2-CG 4.18Å; F1405-F1682 HydrophobicContact CZ-CD1 4.09Å; F1405-F1682 HydrophobicContact CZ-CE1 4.46Å |
| 1406 | R | 94.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 27% | 0.272 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.1 | -30.5 | -173.1 | 174.4 | 168.5 | 152.4 | -166.3 | -8.3 | 114.3 | Y989 W1402 I1404 K1410 | Y989-R1406 VanDerWaalsContact CE2-CZ 3.45Å; Y989-R1406 PolarHBondContact OH-NE 2.92Å; Y989-R1406 VanDerWaalsContact OH-NE 3.13Å; W1402-R1406 WeakPolarHBondContact O-CB 3.42Å; W1402-R1406 PolarHBondContact O-N 2.99Å; I1404-R1406 VanDerWaalsContact C-N 3.31Å; I1404-R1406 PolarHBondContact O-N 2.63Å; R1406-K1410 WeakPolarHBondContact O-CB 3.5Å; R1406-K1410 PolarHBondContact O-N 3.19Å; R1406-K1410 VanDerWaalsContact O-N 3.09Å |
| 1407 | E | 93.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 42.5 Ų | 42.5 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -78.8 | -37.8 | 177.6 | -173.3 | 50.6 | -133.9 | 0 | 0 | 112 | I1404 F1405 K1410 Q1411 | I1404-E1407 PolarHBondContact O-N 3.15Å; F1405-E1407 VanDerWaalsContact C-N 3.28Å; F1405-E1407 PolarHBondContact O-N 3.28Å; E1407-K1410 IonicContact OE1-NZ 2.91Å; E1407-K1410 PolarHBondContact OE1-NZ 2.73Å; E1407-K1410 IonicContact OE2-NZ 2.78Å; E1407-K1410 PolarHBondContact OE2-NZ 3.1Å; E1407-Q1411 WeakPolarHBondContact O-CG 3.12Å; E1407-Q1411 PolarHBondContact O-NE2 2.81Å; E1407-Q1411 PolarHBondContact OE1-NE2 3.42Å |
| 1408 | C | 96.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.8 | -44.6 | 172.1 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | F1405 K1410 Q1411 Q1413 V1415 | F1405-C1408 PolarHBondContact O-N 2.67Å; F1405-C1408 VanDerWaalsContact O-N 3.15Å; C1408-K1410 PolarHBondContact O-N 2.74Å; C1408-Q1411 WeakPolarHBondContact O-CA 3.39Å; C1408-Q1411 WeakPolarHBondContact O-CB 3.43Å; C1408-Q1411 PolarHBondContact O-N 3.34Å; C1408-Q1413 HydrophobicContact CB-CB 4.45Å; C1408-Q1413 WeakPolarHBondContact O-CB 3.31Å; C1408-Q1413 PolarHBondContact O-N 2.93Å; C1408-V1415 HydrophobicContact CB-CG2 4.13Å |
| 1409 | W | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 179.7 | -160.8 | -114.7 | 0 | 0 | 0 | 111.5 | F1405 Q1411 G1412 V1415 D1565 F1682 I1683 P1684 F1704 S1706 H1709 | F1405-W1409 HydrophobicContact CD1-CB 4.28Å; F1405-W1409 HydrophobicContact CE1-CB 3.93Å; F1405-W1409 HydrophobicContact CE1-CD2 4.14Å; F1405-W1409 AromaticContact CE1-CG 3.76Å; F1405-W1409 HydrophobicContact CE1-CG 3.76Å; F1405-W1409 HydrophobicContact CE2-CB 4.24Å; F1405-W1409 AromaticContact CE2-CD2 3.77Å; F1405-W1409 HydrophobicContact CE2-CD2 3.77Å; F1405-W1409 AromaticContact CE2-CE3 3.58Å; F1405-W1409 HydrophobicContact CE2-CE3 3.58Å; F1405-W1409 HydrophobicContact CE2-CG 4.1Å; F1405-W1409 HydrophobicContact CE2-CZ3 4.15Å; F1405-W1409 HydrophobicContact CZ-CB 3.92Å; F1405-W1409 AromaticContact CZ-CD1 3.97Å; F1405-W1409 AromaticContact CZ-CD2 3.36Å; F1405-W1409 HydrophobicContact CZ-CD2 3.36Å; F1405-W1409 AromaticContact CZ-CE2 3.8Å; F1405-W1409 AromaticContact CZ-CE3 3.69Å; F1405-W1409 HydrophobicContact CZ-CE3 3.69Å; F1405-W1409 AromaticContact CZ-CG 3.49Å; F1405-W1409 HydrophobicContact CZ-CG 3.49Å; F1405-W1409 VanDerWaalsContact CZ-CG 3.49Å; F1405-W1409 HydrophobicContact CZ-CZ2 4.42Å; F1405-W1409 HydrophobicContact CZ-CZ3 4.34Å; F1405-W1409 VanDerWaalsContact O-CB 3.27Å; F1405-W1409 WeakPolarHBondContact O-CB 3.37Å; F1405-W1409 PolarHBondContact O-N 3.29Å; W1409-Q1411 PolarHBondContact O-N 3.31Å; W1409-G1412 PolarHBondContact O-N 2.99Å; W1409-V1415 HydrophobicContact CE3-CG2 4.46Å; W1409-D1565 HydrophobicContact CZ2-CB 3.88Å; W1409-D1565 WeakPolarHBondContact CZ2-OD1 3.15Å; W1409-F1682 HydrophobicContact CH2-CB 3.89Å; W1409-F1682 HydrophobicContact CZ3-CB 3.63Å; W1409-I1683 VanDerWaalsContact CH2-C 3.5Å; W1409-P1684 HydrophobicContact CE3-CG 4.29Å; W1409-P1684 HydrophobicContact CH2-CB 4.39Å; W1409-P1684 HydrophobicContact CH2-CG 4.02Å; W1409-P1684 HydrophobicContact CZ3-CG 3.77Å; W1409-F1704 HydrophobicContact CH2-CZ 4.29Å; W1409-F1704 HydrophobicContact CZ2-CE2 4.06Å; W1409-F1704 AromaticContact CZ2-CZ 3.79Å; W1409-F1704 HydrophobicContact CZ2-CZ 3.79Å; W1409-S1706 PolarHBondContact NE1-OG 3.21Å; W1409-S1706 VanDerWaalsContact NE1-OG 3.16Å; W1409-H1709 AromaticContact CD1-CE1 3.74Å; W1409-H1709 AromaticContact CD2-CE1 3.7Å; W1409-H1709 AromaticContact CE2-CE1 3.42Å; W1409-H1709 VanDerWaalsContact CE2-CE1 3.42Å; W1409-H1709 AromaticContact CE2-ND1 3.49Å; W1409-H1709 AromaticContact CG-CE1 3.92Å; W1409-H1709 AromaticContact CZ2-CE1 3.92Å; W1409-H1709 AromaticContact CZ2-ND1 3.75Å; W1409-H1709 AromaticContact NE1-CE1 3.4Å; W1409-H1709 PolarHBondContact NE1-CE1 3.09Å; W1409-H1709 AromaticContact NE1-ND1 3.31Å; W1409-H1709 PolarHBondContact NE1-ND1 2.92Å; W1409-H1709 PolarHBondContact O-CE1 3.44Å; W1409-H1709 PolarHBondContact O-NE2 2.84Å |
| 1410 | K | 94.8 | Very high | 95.9 | Very high | 104 Ų | 104 | 30.1 Ų | 30.1 | 45% | 0.452 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -16.6 | 173.8 | 176 | 172.6 | 131.2 | -74.6 | 0 | 114.3 | R1406 E1407 C1408 E1708 | R1406-K1410 WeakPolarHBondContact O-CB 3.5Å; R1406-K1410 PolarHBondContact O-N 3.19Å; R1406-K1410 VanDerWaalsContact O-N 3.09Å; E1407-K1410 IonicContact OE1-NZ 2.91Å; E1407-K1410 PolarHBondContact OE1-NZ 2.73Å; E1407-K1410 IonicContact OE2-NZ 2.78Å; E1407-K1410 PolarHBondContact OE2-NZ 3.1Å; C1408-K1410 PolarHBondContact O-N 2.74Å; K1410-E1708 HydrophobicContact CB-CG 4.25Å |
| 1411 | Q | 94.5 | Very high | 96.1 | Very high | 104 Ų | 104 | 30.8 Ų | 30.8 | 49% | 0.486 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 2.7 | 174.8 | -65.2 | 174.9 | 37.7 | 0 | 0 | 113.2 | E1407 C1408 W1409 Q1413 | E1407-Q1411 WeakPolarHBondContact O-CG 3.12Å; E1407-Q1411 PolarHBondContact O-NE2 2.81Å; E1407-Q1411 PolarHBondContact OE1-NE2 3.42Å; C1408-Q1411 WeakPolarHBondContact O-CA 3.39Å; C1408-Q1411 WeakPolarHBondContact O-CB 3.43Å; C1408-Q1411 PolarHBondContact O-N 3.34Å; W1409-Q1411 PolarHBondContact O-N 3.31Å; Q1411-Q1413 HydrophobicContact CB-CG 4.06Å |
| 1412 | G | 94.9 | Very high | 96.2 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 22% | 0.216 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 30.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W1409 | W1409-G1412 PolarHBondContact O-N 2.99Š|
| 1413 | Q | 97.5 | Very high | 96.3 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 17% | 0.168 | 18% | 0.18 | C | C | . | . | trans | -95.7 | 141 | 179.4 | -58.2 | 174.7 | -4.1 | 0 | 0 | 110.6 | C1408 Q1411 W1671 | C1408-Q1413 HydrophobicContact CB-CB 4.45Å; C1408-Q1413 WeakPolarHBondContact O-CB 3.31Å; C1408-Q1413 PolarHBondContact O-N 2.93Å; Q1411-Q1413 HydrophobicContact CB-CG 4.06Å; Q1413-W1671 HydrophobicContact CB-CZ2 4.21Å; Q1413-W1671 HydrophobicContact CG-CH2 4.49Å; Q1413-W1671 HydrophobicContact CG-CZ2 4.03Å | ||
| 1414 | P | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | trans | -65.3 | 157.5 | 165.9 | 30 | -33.9 | 0 | 0 | 0 | 110.9 | L1390 I1616 W1671 I1673 F1682 | L1390-P1414 HydrophobicContact CD1-CB 4.47Å; L1390-P1414 HydrophobicContact CD1-CG 4.33Å; L1390-P1414 VanDerWaalsContact CD1-O 3.29Å; L1390-P1414 WeakPolarHBondContact CD1-O 3.44Å; P1414-I1616 HydrophobicContact CB-CD1 3.88Å; P1414-I1616 HydrophobicContact CB-CG2 4.39Å; P1414-I1616 HydrophobicContact CG-CB 4.47Å; P1414-I1616 HydrophobicContact CG-CD1 4.36Å; P1414-I1616 HydrophobicContact CG-CG2 4.23Å; P1414-W1671 HydrophobicContact CG-CB 4.29Å; P1414-W1671 HydrophobicContact CG-CD2 3.63Å; P1414-W1671 HydrophobicContact CG-CE3 3.74Å; P1414-W1671 HydrophobicContact CG-CG 3.88Å; P1414-W1671 HydrophobicContact CG-CZ3 4.29Å; P1414-I1673 HydrophobicContact CB-CD1 4.45Å; P1414-I1673 HydrophobicContact CG-CD1 4.35Å; P1414-F1682 VanDerWaalsContact CA-O 3.28Å; P1414-F1682 WeakPolarHBondContact CA-O 3.47Å; P1414-F1682 WeakPolarHBondContact CB-O 3.43Å | ||
| 1415 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.2 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | L1391 L1393 F1405 C1408 W1409 F1682 | L1391-V1415 HydrophobicContact CB-CG1 4.1Å; L1391-V1415 HydrophobicContact CB-CG2 4.34Å; L1391-V1415 HydrophobicContact CD2-CG1 3.91Å; L1391-V1415 HydrophobicContact CD2-CG2 4.39Å; L1391-V1415 HydrophobicContact CG-CG1 4.04Å; L1393-V1415 HydrophobicContact CD1-CG1 4.41Å; F1405-V1415 HydrophobicContact CD2-CB 3.99Å; F1405-V1415 HydrophobicContact CD2-CG1 4.03Å; F1405-V1415 HydrophobicContact CD2-CG2 3.81Å; F1405-V1415 HydrophobicContact CE2-CB 4.2Å; F1405-V1415 HydrophobicContact CE2-CG2 4.13Å; C1408-V1415 HydrophobicContact CB-CG2 4.13Å; W1409-V1415 HydrophobicContact CE3-CG2 4.46Å; V1415-F1682 HydrophobicContact CB-CB 4.34Å; V1415-F1682 PolarHBondContact N-O 2.86Å; V1415-F1682 WeakPolarHBondContact O-CB 3.19Å; V1415-F1682 PolarHBondContact O-N 3.13Å |
| 1416 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.2 | 174.7 | -172 | 148.2 | 0 | 0 | 0 | 110.2 | L1390 L1391 C1392 L1393 I1673 D1679 A1680 | L1390-L1416 HydrophobicContact CD1-CB 4.49Å; L1390-L1416 HydrophobicContact CD2-CB 4.41Å; L1391-L1416 PolarHBondContact O-N 2.87Å; C1392-L1416 CarbonylContact C-O 3.51Å; C1392-L1416 WeakPolarHBondContact CA-O 3.05Å; C1392-L1416 HydrophobicContact CB-CD2 4.47Å; L1393-L1416 PolarHBondContact N-O 2.87Å; L1416-I1673 HydrophobicContact CD1-CG2 3.79Å; L1416-D1679 HydrophobicContact CD1-CB 4.13Å; L1416-D1679 HydrophobicContact CD2-CB 4.2Å; L1416-D1679 HydrophobicContact CG-CB 4.21Å; L1416-A1680 CarbonylContact C-O 3.56Å; L1416-A1680 WeakPolarHBondContact CA-O 3.28Å |
| 1417 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 109.3 | 171.8 | -170.1 | 0 | 0 | 0 | 0 | 108.9 | L1393 P1396 P1510 L1511 A1680 F1682 | L1393-V1417 HydrophobicContact CB-CB 4.46Å; L1393-V1417 HydrophobicContact CB-CG1 4.11Å; L1393-V1417 HydrophobicContact CB-CG2 4.19Å; L1393-V1417 HydrophobicContact CD1-CG2 4.02Å; P1396-V1417 HydrophobicContact CB-CG1 3.88Å; V1417-P1510 HydrophobicContact CB-CB 4.09Å; V1417-P1510 HydrophobicContact CB-CG 4.26Å; V1417-P1510 HydrophobicContact CG1-CB 3.76Å; V1417-P1510 HydrophobicContact CG1-CG 4.38Å; V1417-P1510 HydrophobicContact CG2-CB 4.28Å; V1417-L1511 HydrophobicContact CG2-CD1 4.44Å; V1417-A1680 HydrophobicContact CB-CB 4.37Å; V1417-A1680 PolarHBondContact N-O 3.28Å; V1417-A1680 PolarHBondContact O-N 3.05Å; V1417-F1682 HydrophobicContact CB-CE2 4.33Å; V1417-F1682 HydrophobicContact CG2-CD2 4.06Å; V1417-F1682 HydrophobicContact CG2-CE2 3.56Å; V1417-F1682 HydrophobicContact CG2-CZ 4.44Å |
| 1418 | S | 97.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | trans | -84.3 | 153.9 | -173.1 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | L1393 H1394 D1679 | L1393-S1418 PolarHBondContact O-N 2.66Å; L1393-S1418 PolarHBondContact O-OG 3.39Å; H1394-S1418 WeakPolarHBondContact CA-OG 3.23Å; H1394-S1418 PolarHBondContact ND1-OG 3.19Å; S1418-D1679 VanDerWaalsContact CA-OD1 3.26Å; S1418-D1679 WeakPolarHBondContact CA-OD1 3.42Å; S1418-D1679 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 1419 | G | 96.1 | Very high | 97 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | trans | 80.6 | 16.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | H1421 K1422 G1678 | G1419-H1421 PolarHBondContact O-N 2.76Å; G1419-K1422 WeakPolarHBondContact O-CB 3.39Å; G1419-K1422 WeakPolarHBondContact O-CG 3.35Å; G1419-K1422 PolarHBondContact O-N 3.36Å; G1419-G1678 PolarHBondContact N-O 2.74Å; G1419-G1678 VanDerWaalsContact N-O 3.11Å | ||
| 1420 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -58.4 | -32.1 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | P1396 K1422 K1423 L1424 P1510 V1569 G1678 A1680 | P1396-V1420 HydrophobicContact CB-CG2 3.93Å; P1396-V1420 HydrophobicContact CG-CG2 4.45Å; V1420-K1422 PolarHBondContact O-N 3.08Å; V1420-K1423 WeakPolarHBondContact O-CB 3.42Å; V1420-K1423 PolarHBondContact O-N 3.25Å; V1420-L1424 HydrophobicContact CG1-CD1 4.4Å; V1420-L1424 HydrophobicContact CG1-CG 4.44Å; V1420-P1510 HydrophobicContact CG2-CG 4.01Å; V1420-V1569 HydrophobicContact CB-CG1 4.12Å; V1420-V1569 HydrophobicContact CG1-CG1 3.91Å; V1420-G1678 WeakPolarHBondContact CB-O 3.49Å; V1420-G1678 PolarHBondContact N-O 3.33Å; V1420-A1680 HydrophobicContact CG2-CB 3.96Å |
| 1421 | H | 97.1 | Very high | 97.1 | Very high | 63 Ų | 63 | 42.8 Ų | 42.8 | 29% | 0.292 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -54.7 | -23.1 | 174.7 | 70 | -105.4 | 0 | 0 | 0 | 113.9 | G1419 K1423 L1677 G1678 | G1419-H1421 PolarHBondContact O-N 2.76Å; H1421-K1423 PolarHBondContact O-N 3.14Å; H1421-L1677 HydrophobicContact CB-CD1 4.46Å; H1421-L1677 HydrophobicContact CB-CG 4.2Å; H1421-L1677 PolarHBondContact CE1-O 3.19Å; H1421-L1677 PolarHBondContact ND1-O 2.82Å; H1421-G1678 WeakPolarHBondContact ND1-CA 3.47Å |
| 1422 | K | 97.1 | Very high | 97.2 | Very high | 158 Ų | 158 | 41.8 Ų | 41.8 | 69% | 0.687 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -78.9 | -1.3 | 179.4 | -53.8 | 177.3 | -176.6 | 169.8 | 0 | 113 | G1419 V1420 | G1419-K1422 WeakPolarHBondContact O-CB 3.39Å; G1419-K1422 WeakPolarHBondContact O-CG 3.35Å; G1419-K1422 PolarHBondContact O-N 3.36Å; V1420-K1422 PolarHBondContact O-N 3.08Å |
| 1423 | K | 96.8 | Very high | 97.3 | Very high | 91 Ų | 91 | 41.5 Ų | 41.5 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -24.4 | -180 | -53.7 | -62.9 | -168.9 | 172.5 | 0 | 112.8 | P1396 S1397 V1420 H1421 N1508 | P1396-K1423 HydrophobicContact CG-CG 4.21Å; S1397-K1423 VanDerWaalsContact OG-CE 3.27Å; S1397-K1423 WeakPolarHBondContact OG-CE 3.37Å; S1397-K1423 PolarHBondContact OG-NZ 3.16Å; V1420-K1423 WeakPolarHBondContact O-CB 3.42Å; V1420-K1423 PolarHBondContact O-N 3.25Å; H1421-K1423 PolarHBondContact O-N 3.14Å; K1423-N1508 HydrophobicContact CB-CB 4Å; K1423-N1508 WeakPolarHBondContact CB-OD1 3.29Å; K1423-N1508 PolarHBondContact O-ND2 2.93Å |
| 1424 | L | 97.4 | Very high | 97.2 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 9% | 0.089 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -81.7 | 154.6 | -179.1 | -61.3 | 176.7 | 0 | 0 | 0 | 112.4 | V1420 S1426 D1504 N1508 V1571 | V1420-L1424 HydrophobicContact CG1-CD1 4.4Å; V1420-L1424 HydrophobicContact CG1-CG 4.44Å; L1424-S1426 PolarHBondContact O-N 2.79Å; L1424-S1426 VanDerWaalsContact O-N 3.12Å; L1424-D1504 WeakPolarHBondContact CA-OD2 3.14Å; L1424-D1504 WeakPolarHBondContact CB-OD2 3.49Å; L1424-D1504 VanDerWaalsContact CD2-O 3.27Å; L1424-D1504 WeakPolarHBondContact CD2-O 3.39Å; L1424-D1504 WeakPolarHBondContact CD2-OD2 3.3Å; L1424-N1508 HydrophobicContact CD2-CB 3.82Å; L1424-V1571 HydrophobicContact CD1-CB 4.38Å; L1424-V1571 HydrophobicContact CD1-CG1 3.75Å |
| 1425 | K | 97.2 | Very high | 97.1 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | trans | -76.3 | 91.3 | 171.5 | -73.6 | -176.6 | -141.3 | 76 | 0 | 110.4 | E1427 L1428 W1429 D1504 | K1425-E1427 WeakPolarHBondContact CB-OE1 3.29Å; K1425-E1427 PolarHBondContact O-N 3.06Å; K1425-L1428 HydrophobicContact CB-CB 4.48Å; K1425-L1428 HydrophobicContact CB-CD1 3.88Å; K1425-L1428 HydrophobicContact CB-CG 3.88Å; K1425-L1428 HydrophobicContact CD-CD1 3.98Å; K1425-L1428 HydrophobicContact CD-CG 4.47Å; K1425-L1428 WeakPolarHBondContact O-CB 3.2Å; K1425-L1428 PolarHBondContact O-N 3.31Å; K1425-W1429 VanDerWaalsContact O-CD1 3.23Å; K1425-D1504 VanDerWaalsContact CG-OD1 3.3Å; K1425-D1504 WeakPolarHBondContact CG-OD1 3.46Å; K1425-D1504 PolarHBondContact N-OD1 3.2Å; K1425-D1504 PolarHBondContact N-OD2 3.32Å; K1425-D1504 IonicContact NZ-OD1 3.48Å; K1425-D1504 PolarHBondContact NZ-OD1 3.08Å | ||
| 1426 | S | 95.5 | Very high | 97 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 59% | 0.594 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -26.8 | -173.4 | 67.3 | 0 | 0 | 0 | 0 | 115.8 | L1424 K1430 | L1424-S1426 PolarHBondContact O-N 2.79Å; L1424-S1426 VanDerWaalsContact O-N 3.12Å; S1426-K1430 WeakPolarHBondContact O-CG 3.5Å |
| 1427 | E | 96.3 | Very high | 96.8 | Very high | 109 Ų | 109 | 50.2 Ų | 50.2 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -29.4 | 177.9 | 67.1 | -79.9 | -169.7 | 0 | 0 | 113.7 | K1425 W1429 | K1425-E1427 WeakPolarHBondContact CB-OE1 3.29Å; K1425-E1427 PolarHBondContact O-N 3.06Å; E1427-W1429 VanDerWaalsContact C-N 3.33Å |
| 1428 | L | 96.8 | Very high | 96.6 | Very high | 24 Ų | 24 | 51.4 Ų | 51.4 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -23.2 | -179 | -65.4 | -173.4 | 0 | 0 | 0 | 113.3 | K1425 T1500 R1501 D1504 | K1425-L1428 HydrophobicContact CB-CB 4.48Å; K1425-L1428 HydrophobicContact CB-CD1 3.88Å; K1425-L1428 HydrophobicContact CB-CG 3.88Å; K1425-L1428 HydrophobicContact CD-CD1 3.98Å; K1425-L1428 HydrophobicContact CD-CG 4.47Å; K1425-L1428 WeakPolarHBondContact O-CB 3.2Å; K1425-L1428 PolarHBondContact O-N 3.31Å; L1428-T1500 HydrophobicContact CD1-CG2 3.97Å; L1428-T1500 HydrophobicContact CD2-CG2 4.49Å; L1428-R1501 HydrophobicContact CB-CG 4.25Å; L1428-R1501 PolarHBondContact O-NE 3.24Å; L1428-R1501 PolarHBondContact O-NH2 3.17Å; L1428-D1504 HydrophobicContact CD1-CB 4.12Å |
| 1429 | W | 97.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 19.1 | -169 | -58.9 | 107.4 | 0 | 0 | 0 | 113.3 | K1425 E1427 F1434 F1494 R1501 D1504 L1505 V1571 Y1572 V1700 | K1425-W1429 VanDerWaalsContact O-CD1 3.23Å; E1427-W1429 VanDerWaalsContact C-N 3.33Å; W1429-F1434 HydrophobicContact CE3-CZ 4.13Å; W1429-F1494 HydrophobicContact CH2-CZ 4.11Å; W1429-F1494 HydrophobicContact CZ3-CZ 4.19Å; W1429-R1501 HydrophobicContact CE3-CG 4.24Å; W1429-R1501 HydrophobicContact CH2-CB 3.63Å; W1429-R1501 HydrophobicContact CH2-CG 3.95Å; W1429-R1501 HydrophobicContact CZ2-CB 3.99Å; W1429-R1501 HydrophobicContact CZ2-CG 4.19Å; W1429-R1501 WeakPolarHBondContact CZ2-O 3.31Å; W1429-R1501 HydrophobicContact CZ3-CB 4.04Å; W1429-R1501 HydrophobicContact CZ3-CG 3.95Å; W1429-D1504 HydrophobicContact CZ2-CB 4.38Å; W1429-D1504 PolarHBondContact NE1-OD2 2.67Å; W1429-L1505 HydrophobicContact CH2-CB 4.22Å; W1429-L1505 HydrophobicContact CZ2-CB 4.12Å; W1429-V1571 HydrophobicContact CB-CB 4.22Å; W1429-V1571 HydrophobicContact CB-CG2 4.27Å; W1429-V1571 HydrophobicContact CD2-CB 4.06Å; W1429-V1571 HydrophobicContact CD2-CG1 4.32Å; W1429-V1571 HydrophobicContact CD2-CG2 4.09Å; W1429-V1571 HydrophobicContact CE3-CB 4.14Å; W1429-V1571 HydrophobicContact CE3-CG1 4.37Å; W1429-V1571 HydrophobicContact CE3-CG2 3.68Å; W1429-V1571 HydrophobicContact CG-CB 4.11Å; W1429-V1571 HydrophobicContact CG-CG2 4.37Å; W1429-V1571 HydrophobicContact CZ3-CG2 4.34Å; W1429-Y1572 WeakPolarHBondContact O-CB 3.37Å; W1429-Y1572 WeakPolarHBondContact O-CD2 3.08Å; W1429-V1700 HydrophobicContact CE3-CG2 4.38Å; W1429-V1700 HydrophobicContact CH2-CG2 4.08Å; W1429-V1700 HydrophobicContact CZ3-CG2 3.63Å |
| 1430 | K | 97.6 | Very high | 96.2 | Very high | 90 Ų | 90 | 55.6 Ų | 55.6 | 39% | 0.391 | 27% | 0.272 | S | S | . | . | trans | -90.2 | 140.9 | -177.7 | -74.8 | -155.4 | 173.7 | -166.6 | 0 | 113.1 | S1426 E1432 A1433 F1434 Y1572 | S1426-K1430 WeakPolarHBondContact O-CG 3.5Å; K1430-E1432 VanDerWaalsContact C-N 3.26Å; K1430-E1432 WeakPolarHBondContact CB-OE2 3.39Å; K1430-E1432 PolarHBondContact O-N 3.24Å; K1430-A1433 HydrophobicContact CB-CB 4.19Å; K1430-A1433 WeakPolarHBondContact O-CB 3.33Å; K1430-A1433 PolarHBondContact O-N 3.44Å; K1430-F1434 WeakPolarHBondContact O-CD2 3.2Å; K1430-F1434 PolarHBondContact O-N 2.86Å; K1430-Y1572 HydrophobicContact CG-CE2 4.09Å | ||
| 1431 | P | 97.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -34.9 | 177 | 25.9 | -34.1 | 0 | 0 | 0 | 112.5 | A1433 F1434 S1435 W1463 F1466 Y1572 | P1431-A1433 VanDerWaalsContact C-N 3.29Å; P1431-A1433 PolarHBondContact O-N 3.03Å; P1431-F1434 PolarHBondContact O-N 3.1Å; P1431-S1435 PolarHBondContact O-N 2.95Å; P1431-W1463 HydrophobicContact CB-CE3 3.55Å; P1431-W1463 HydrophobicContact CB-CZ3 3.91Å; P1431-F1466 HydrophobicContact CB-CB 4.35Å; P1431-F1466 HydrophobicContact CB-CD1 3.89Å; P1431-F1466 HydrophobicContact CB-CE1 4.41Å; P1431-F1466 HydrophobicContact CB-CG 4.19Å; P1431-F1466 HydrophobicContact CG-CD1 4.07Å; P1431-Y1572 HydrophobicContact CG-CE1 3.88Å |
| 1432 | E | 96.6 | Very high | 95.6 | Very high | 84 Ų | 84 | 59.4 Ų | 59.4 | 39% | 0.393 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.1 | -28.9 | 177.7 | -46.8 | 95.1 | 134 | 0 | 0 | 112.3 | K1430 Q1436 | K1430-E1432 VanDerWaalsContact C-N 3.26Å; K1430-E1432 WeakPolarHBondContact CB-OE2 3.39Å; K1430-E1432 PolarHBondContact O-N 3.24Å; E1432-Q1436 VanDerWaalsContact O-CB 3.28Å; E1432-Q1436 WeakPolarHBondContact O-CB 3.49Å; E1432-Q1436 WeakPolarHBondContact O-CG 3.46Å; E1432-Q1436 PolarHBondContact O-N 3.01Å; E1432-Q1436 PolarHBondContact O-NE2 3.07Å; E1432-Q1436 VanDerWaalsContact O-NE2 3.1Å |
| 1433 | A | 96.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.8 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | K1430 P1431 Q1436 E1437 | K1430-A1433 HydrophobicContact CB-CB 4.19Å; K1430-A1433 WeakPolarHBondContact O-CB 3.33Å; K1430-A1433 PolarHBondContact O-N 3.44Å; P1431-A1433 VanDerWaalsContact C-N 3.29Å; P1431-A1433 PolarHBondContact O-N 3.03Å; A1433-Q1436 PolarHBondContact O-N 2.89Å; A1433-E1437 VanDerWaalsContact O-CB 3.26Å; A1433-E1437 WeakPolarHBondContact O-CB 3.36Å; A1433-E1437 WeakPolarHBondContact O-CG 3.42Å; A1433-E1437 PolarHBondContact O-N 2.67Å |
| 1434 | F | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -42.2 | 175.6 | -62.6 | -64 | 0 | 0 | 0 | 112.6 | W1429 K1430 P1431 E1437 F1438 W1463 W1488 M1498 M1540 I1698 | W1429-F1434 HydrophobicContact CE3-CZ 4.13Å; K1430-F1434 WeakPolarHBondContact O-CD2 3.2Å; K1430-F1434 PolarHBondContact O-N 2.86Å; P1431-F1434 PolarHBondContact O-N 3.1Å; F1434-E1437 PolarHBondContact O-N 2.99Å; F1434-F1438 HydrophobicContact CD1-CD2 4.24Å; F1434-F1438 HydrophobicContact CD1-CE2 4.16Å; F1434-F1438 PolarHBondContact O-N 3.44Å; F1434-W1463 HydrophobicContact CB-CD2 3.94Å; F1434-W1463 HydrophobicContact CB-CG 4.27Å; F1434-W1463 HydrophobicContact CB-CH2 4.49Å; F1434-W1463 HydrophobicContact CB-CZ2 3.84Å; F1434-W1463 AromaticContact CD2-CH2 3.93Å; F1434-W1463 HydrophobicContact CD2-CH2 3.93Å; F1434-W1463 HydrophobicContact CD2-CZ2 4Å; F1434-W1463 HydrophobicContact CD2-CZ3 4.36Å; F1434-W1463 HydrophobicContact CG-CH2 4.41Å; F1434-W1463 HydrophobicContact CG-CZ2 4.01Å; F1434-W1488 HydrophobicContact CB-CH2 4.29Å; F1434-W1488 HydrophobicContact CB-CZ3 4.46Å; F1434-W1488 AromaticContact CD1-CH2 3.92Å; F1434-W1488 HydrophobicContact CD1-CH2 3.92Å; F1434-W1488 HydrophobicContact CD1-CZ3 4.06Å; F1434-W1488 HydrophobicContact CG-CH2 4.41Å; F1434-W1488 HydrophobicContact CG-CZ3 4.37Å; F1434-M1498 HydrophobicContact CD1-SD 4.09Å; F1434-M1498 HydrophobicContact CE1-CE 4.11Å; F1434-M1498 HydrophobicContact CE1-SD 3.68Å; F1434-M1540 HydrophobicContact CE1-CE 4.17Å; F1434-M1540 HydrophobicContact CZ-CE 4.31Å; F1434-M1540 HydrophobicContact CZ-SD 4.26Å; F1434-I1698 HydrophobicContact CD2-CD1 3.96Å; F1434-I1698 HydrophobicContact CE2-CD1 3.77Å; F1434-I1698 HydrophobicContact CE2-CG2 4.38Å |
| 1435 | S | 96.5 | Very high | 95.1 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 173 | -165.2 | 0 | 0 | 0 | 0 | 111.8 | P1431 G1439 D1464 | P1431-S1435 PolarHBondContact O-N 2.95Å; S1435-G1439 WeakPolarHBondContact O-CA 3.26Å; S1435-G1439 PolarHBondContact O-N 2.86Å; S1435-D1464 PolarHBondContact OG-OD1 3.36Å |
| 1436 | Q | 95.7 | Very high | 95 | Very high | 131 Ų | 131 | 46 Ų | 46 | 61% | 0.612 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -71.3 | -28.9 | -179.6 | -76.5 | 173.1 | 63.4 | 0 | 0 | 114.3 | R771 E1432 A1433 | R771-Q1436 VanDerWaalsContact CZ-O 3.31Å; R771-Q1436 PolarHBondContact NH1-O 2.87Å; R771-Q1436 VanDerWaalsContact NH1-O 3.1Å; R771-Q1436 PolarHBondContact NH2-O 2.81Å; E1432-Q1436 VanDerWaalsContact O-CB 3.28Å; E1432-Q1436 WeakPolarHBondContact O-CB 3.49Å; E1432-Q1436 WeakPolarHBondContact O-CG 3.46Å; E1432-Q1436 PolarHBondContact O-N 3.01Å; E1432-Q1436 PolarHBondContact O-NE2 3.07Å; E1432-Q1436 VanDerWaalsContact O-NE2 3.1Å; A1433-Q1436 PolarHBondContact O-N 2.89Å |
| 1437 | E | 94.2 | Very high | 94.9 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -90.7 | -36.8 | -175 | -73.9 | 178.6 | -115.8 | 0 | 0 | 113.7 | A1433 F1434 R1501 | A1433-E1437 VanDerWaalsContact O-CB 3.26Å; A1433-E1437 WeakPolarHBondContact O-CB 3.36Å; A1433-E1437 WeakPolarHBondContact O-CG 3.42Å; A1433-E1437 PolarHBondContact O-N 2.67Å; F1434-E1437 PolarHBondContact O-N 2.99Å; E1437-R1501 IonicContact OE1-CZ 3.61Å; E1437-R1501 IonicContact OE1-NH1 3.25Å; E1437-R1501 PolarHBondContact OE1-NH1 3.09Å; E1437-R1501 IonicContact OE1-NH2 2.7Å; E1437-R1501 PolarHBondContact OE1-NH2 2.76Å; E1437-R1501 IonicContact OE2-CZ 3.97Å; E1437-R1501 IonicContact OE2-NH1 3.8Å; E1437-R1501 PolarHBondContact OE2-NH1 2.77Å; E1437-R1501 IonicContact OE2-NH2 2.71Å |
| 1438 | F | 93.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 11% | 0.114 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -128.1 | 0.8 | -171.1 | -49.9 | -78.6 | 0 | 0 | 0 | 114 | F1434 D1440 Q1441 V1459 W1488 M1497 M1498 | F1434-F1438 HydrophobicContact CD1-CD2 4.24Å; F1434-F1438 HydrophobicContact CD1-CE2 4.16Å; F1434-F1438 PolarHBondContact O-N 3.44Å; F1438-D1440 PolarHBondContact O-N 3.25Å; F1438-Q1441 WeakPolarHBondContact O-CB 3.46Å; F1438-Q1441 WeakPolarHBondContact O-CG 3.34Å; F1438-Q1441 PolarHBondContact O-N 3.07Å; F1438-V1459 WeakPolarHBondContact O-CG1 3.4Å; F1438-W1488 HydrophobicContact CB-CH2 4.1Å; F1438-W1488 HydrophobicContact CB-CZ2 3.55Å; F1438-W1488 HydrophobicContact CD1-CZ2 4.47Å; F1438-W1488 AromaticContact CD2-CH2 3.71Å; F1438-W1488 HydrophobicContact CD2-CH2 3.71Å; F1438-W1488 AromaticContact CD2-CZ2 3.9Å; F1438-W1488 HydrophobicContact CD2-CZ2 3.9Å; F1438-W1488 HydrophobicContact CE2-CH2 4.46Å; F1438-W1488 HydrophobicContact CG-CH2 4.04Å; F1438-W1488 AromaticContact CG-CZ2 3.71Å; F1438-W1488 HydrophobicContact CG-CZ2 3.71Å; F1438-M1497 HydrophobicContact CD1-CG 4.37Å; F1438-M1497 HydrophobicContact CD1-SD 4.49Å; F1438-M1497 HydrophobicContact CE1-CG 4.01Å; F1438-M1498 HydrophobicContact CD2-SD 4.49Å; F1438-M1498 HydrophobicContact CE1-CG 4.31Å; F1438-M1498 HydrophobicContact CE2-CG 4.2Å; F1438-M1498 HydrophobicContact CE2-SD 3.72Å; F1438-M1498 HydrophobicContact CZ-CG 3.71Å; F1438-M1498 HydrophobicContact CZ-SD 3.88Å |
| 1439 | G | 91.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -16.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | S1435 R1460 | S1435-G1439 WeakPolarHBondContact O-CA 3.26Å; S1435-G1439 PolarHBondContact O-N 2.86Å; G1439-R1460 WeakPolarHBondContact O-CB 3.4Å; G1439-R1460 WeakPolarHBondContact O-CG 3.3Å; G1439-R1460 PolarHBondContact O-N 2.92Å |
| 1440 | D | 93.7 | Very high | 94.3 | Very high | 105 Ų | 105 | 44.9 Ų | 44.9 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -4.7 | 175.7 | -76.4 | -64.6 | 0 | 0 | 0 | 114.7 | F1438 K1458 R1460 | F1438-D1440 PolarHBondContact O-N 3.25Å; D1440-K1458 WeakPolarHBondContact O-CD 3.41Å; D1440-K1458 PolarHBondContact O-NZ 2.87Å; D1440-R1460 IonicContact OD1-CZ 3.89Å; D1440-R1460 VanDerWaalsContact OD1-CZ 3.25Å; D1440-R1460 IonicContact OD1-NH1 3.51Å; D1440-R1460 PolarHBondContact OD1-NH1 2.76Å; D1440-R1460 IonicContact OD1-NH2 2.66Å; D1440-R1460 PolarHBondContact OD1-NH2 2.66Å; D1440-R1460 IonicContact OD2-CZ 3.18Å; D1440-R1460 IonicContact OD2-NH1 3.93Å; D1440-R1460 IonicContact OD2-NH2 3.09Å; D1440-R1460 PolarHBondContact OD2-NH2 3.4Å |
| 1441 | Q | 91 | Very high | 93.8 | Very high | 59 Ų | 59 | 42 Ų | 42 | 28% | 0.276 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -69.4 | 137.5 | 172.3 | -67.4 | 179.7 | -3.2 | 0 | 0 | 111.1 | F1438 V1459 | F1438-Q1441 WeakPolarHBondContact O-CB 3.46Å; F1438-Q1441 WeakPolarHBondContact O-CG 3.34Å; F1438-Q1441 PolarHBondContact O-N 3.07Å; Q1441-V1459 HydrophobicContact CB-CG1 4.16Å; Q1441-V1459 PolarHBondContact O-N 3.28Å |
| 1442 | D | 92.7 | Very high | 93.6 | Very high | 84 Ų | 84 | 43.8 Ų | 43.8 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.1 | 171.5 | -57.9 | -66.9 | 0 | 0 | 0 | 110.3 | V1457 K1458 | D1442-V1457 WeakPolarHBondContact CA-O 3.25Å; D1442-K1458 WeakPolarHBondContact OD1-CD 3.49Å; D1442-K1458 WeakPolarHBondContact OD1-CE 3.27Å; D1442-K1458 IonicContact OD1-NZ 3.92Å; D1442-K1458 PolarHBondContact OD1-NZ 3.11Å; D1442-K1458 IonicContact OD2-NZ 3.4Å; D1442-K1458 PolarHBondContact OD2-NZ 2.9Å |
| 1443 | V | 92.2 | Very high | 93.3 | Very high | 14 Ų | 14 | 42 Ų | 42 | 9% | 0.085 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 156.9 | -173.2 | -67 | 0 | 0 | 0 | 0 | 111.8 | L1445 D1456 V1457 V1459 L1485 W1488 | V1443-L1445 HydrophobicContact CG2-CD2 4.13Å; V1443-D1456 PolarHBondContact O-N 2.93Å; V1443-V1457 HydrophobicContact CG2-CG2 4.49Å; V1443-V1457 VanDerWaalsContact CG2-O 3.32Å; V1443-V1457 WeakPolarHBondContact CG2-O 3.45Å; V1443-V1457 PolarHBondContact N-O 3.2Å; V1443-V1457 WeakPolarHBondContact O-CG2 3.48Å; V1443-V1457 PolarHBondContact O-N 3.37Å; V1443-V1459 HydrophobicContact CG1-CB 3.93Å; V1443-V1459 HydrophobicContact CG1-CG2 4.09Å; V1443-V1459 HydrophobicContact CG2-CB 3.74Å; V1443-V1459 HydrophobicContact CG2-CG2 4.01Å; V1443-L1485 HydrophobicContact CB-CD1 3.76Å; V1443-L1485 HydrophobicContact CG1-CD1 4.05Å; V1443-L1485 HydrophobicContact CG2-CD1 3.63Å; V1443-W1488 HydrophobicContact CG1-CG 4.41Å |
| 1444 | D | 93.2 | Very high | 93.2 | Very high | 31 Ų | 31 | 43.2 Ų | 43.2 | 17% | 0.166 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.9 | 162.9 | -76 | -17.6 | 0 | 0 | 0 | 109.9 | I1453 S1455 K1486 | D1444-I1453 HydrophobicContact CB-CG2 4.19Å; D1444-S1455 WeakPolarHBondContact OD1-CA 3.43Å; D1444-S1455 WeakPolarHBondContact OD1-CB 3.29Å; D1444-S1455 PolarHBondContact OD1-OG 2.88Å; D1444-K1486 HydrophobicContact CB-CB 3.91Å; D1444-K1486 HydrophobicContact CB-CD 3.8Å; D1444-K1486 HydrophobicContact CB-CG 4.32Å; D1444-K1486 WeakPolarHBondContact O-CB 3.35Å; D1444-K1486 PolarHBondContact O-N 2.88Å; D1444-K1486 IonicContact OD2-NZ 2.71Å; D1444-K1486 PolarHBondContact OD2-NZ 3.16Å |
| 1445 | L | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 152.9 | 163.8 | -53.3 | -179.4 | 0 | 0 | 0 | 109.9 | V1443 I1453 I1454 V1457 F1462 L1473 L1483 K1484 L1485 | V1443-L1445 HydrophobicContact CG2-CD2 4.13Å; L1445-I1453 CarbonylContact O-C 3.5Å; L1445-I1453 WeakPolarHBondContact O-CA 3.3Å; L1445-I1454 HydrophobicContact CB-CB 4.36Å; L1445-I1454 PolarHBondContact N-O 3.47Å; L1445-I1454 PolarHBondContact O-N 3.37Å; L1445-V1457 HydrophobicContact CD1-CG2 3.71Å; L1445-V1457 HydrophobicContact CG-CG2 3.66Å; L1445-F1462 HydrophobicContact CD1-CB 4.08Å; L1445-F1462 HydrophobicContact CD2-CB 3.92Å; L1445-F1462 HydrophobicContact CD2-CD2 3.98Å; L1445-F1462 HydrophobicContact CD2-CG 4.12Å; L1445-L1473 HydrophobicContact CD1-CD1 4.09Å; L1445-L1483 HydrophobicContact CD1-CD1 3.86Å; L1445-K1484 CarbonylContact C-O 3.58Å; L1445-K1484 WeakPolarHBondContact CA-O 3.28Å; L1445-L1485 HydrophobicContact CD2-CB 4.08Å; L1445-L1485 HydrophobicContact CD2-CD1 3.51Å; L1445-L1485 HydrophobicContact CD2-CG 4.4Å |
| 1446 | V | 94 | Very high | 92.6 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129 | 172.4 | -166.9 | 0 | 0 | 0 | 0 | 109.7 | M530 C1448 A1452 I1453 L1483 K1484 K1486 | M530-V1446 HydrophobicContact CB-CG1 4.41Å; M530-V1446 HydrophobicContact CE-CG1 4Å; M530-V1446 HydrophobicContact CG-CG1 4.38Å; M530-V1446 HydrophobicContact SD-CG1 3.5Å; M530-V1446 WeakPolarHBondContact SD-CG1 3.45Å; V1446-C1448 PolarHBondContact O-N 3.44Å; V1446-A1452 WeakPolarHBondContact CA-O 3.41Å; V1446-I1453 HydrophobicContact CG2-CG1 4.42Å; V1446-L1483 WeakPolarHBondContact O-CA 3.35Å; V1446-K1484 PolarHBondContact N-O 3.32Å; V1446-K1484 PolarHBondContact O-N 3.48Å; V1446-K1486 HydrophobicContact CG2-CB 4.19Å; V1446-K1486 HydrophobicContact CG2-CD 4.29Å |
| 1447 | N | 94.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 114.9 | 170.3 | -179.9 | -2.8 | 0 | 0 | 0 | 109.3 | R1449 N1450 C1451 A1452 M1481 L1483 | N1447-R1449 PolarHBondContact O-N 2.99Å; N1447-R1449 PolarHBondContact OD1-N 3.4Å; N1447-N1450 WeakPolarHBondContact CB-OD1 3.39Å; N1447-N1450 VanDerWaalsContact CG-OD1 3.3Å; N1447-N1450 PolarHBondContact ND2-OD1 3.02Å; N1447-N1450 PolarHBondContact O-N 3.26Å; N1447-C1451 PolarHBondContact O-N 3.18Å; N1447-C1451 VanDerWaalsContact O-N 3.08Å; N1447-A1452 PolarHBondContact N-O 3.34Å; N1447-M1481 HydrophobicContact CB-SD 4.35Å; N1447-M1481 PolarHBondContact ND2-SD 3.1Å; N1447-L1483 HydrophobicContact CB-CD2 4.31Å |
| 1448 | C | 93.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 46 Ų | 46 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.6 | -173.4 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | V1446 V1482 L1546 V1554 | V1446-C1448 PolarHBondContact O-N 3.44Å; C1448-V1482 HydrophobicContact CB-CG1 4.17Å; C1448-V1482 PolarHBondContact N-O 2.84Å; C1448-V1482 PolarHBondContact SG-O 2.82Å; C1448-L1546 HydrophobicContact CB-CD2 4.47Å; C1448-V1554 HydrophobicContact CB-CG1 4.19Å; C1448-V1554 WeakPolarHBondContact O-CG1 3.31Å |
| 1449 | R | 92.8 | Very high | 92.6 | Very high | 87 Ų | 87 | 44.8 Ų | 44.8 | 33% | 0.328 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -31 | -175.6 | -66.9 | -178.4 | 175.3 | 132.1 | 3.8 | 114.2 | N1447 P1480 D1551 | N1447-R1449 PolarHBondContact O-N 2.99Å; N1447-R1449 PolarHBondContact OD1-N 3.4Å; R1449-P1480 PolarHBondContact NH1-O 3.06Å; R1449-D1551 WeakPolarHBondContact CG-OD1 3.34Å; R1449-D1551 IonicContact CZ-OD1 3.38Å; R1449-D1551 IonicContact CZ-OD2 3Å; R1449-D1551 IonicContact NE-OD1 2.68Å; R1449-D1551 PolarHBondContact NE-OD1 3.04Å; R1449-D1551 IonicContact NE-OD2 2.65Å; R1449-D1551 IonicContact NH2-OD1 2.7Å; R1449-D1551 PolarHBondContact NH2-OD1 3.02Å; R1449-D1551 IonicContact NH2-OD2 3.19Å; R1449-D1551 PolarHBondContact NH2-OD2 3.02Å |
| 1450 | N | 90.5 | Very high | 92.8 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 52% | 0.519 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141 | 13.8 | -167.4 | 72.5 | -12.5 | 0 | 0 | 0 | 114.1 | N1447 A1452 | N1447-N1450 WeakPolarHBondContact CB-OD1 3.39Å; N1447-N1450 VanDerWaalsContact CG-OD1 3.3Å; N1447-N1450 PolarHBondContact ND2-OD1 3.02Å; N1447-N1450 PolarHBondContact O-N 3.26Å; N1450-A1452 PolarHBondContact O-N 2.76Å; N1450-A1452 VanDerWaalsContact OD1-CB 3.29Å; N1450-A1452 WeakPolarHBondContact OD1-CB 3.4Å; N1450-A1452 PolarHBondContact OD1-N 3.25Å |
| 1451 | C | 88.1 | Confident | 93 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | trans | 61.6 | 4.7 | 179.8 | -64.3 | 0 | 0 | 0 | 0 | 116 | M530 N1447 I1453 | M530-C1451 HydrophobicContact CB-CB 3.73Å; M530-C1451 HydrophobicContact CG-CB 4.45Å; M530-C1451 HydrophobicContact SD-CB 4.2Å; N1447-C1451 PolarHBondContact O-N 3.18Å; N1447-C1451 VanDerWaalsContact O-N 3.08Å; C1451-I1453 PolarHBondContact O-N 3.29Å | ||
| 1452 | A | 91.4 | Very high | 93.3 | Very high | 41 Ų | 41 | 44 Ų | 44 | 34% | 0.339 | 23% | 0.233 | S | C | . | . | trans | -70 | 132.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1446 N1447 N1450 | V1446-A1452 WeakPolarHBondContact CA-O 3.41Å; N1447-A1452 PolarHBondContact N-O 3.34Å; N1450-A1452 PolarHBondContact O-N 2.76Å; N1450-A1452 VanDerWaalsContact OD1-CB 3.29Å; N1450-A1452 WeakPolarHBondContact OD1-CB 3.4Å; N1450-A1452 PolarHBondContact OD1-N 3.25Å | ||
| 1453 | I | 92.1 | Very high | 93.5 | Very high | 47 Ų | 47 | 40.4 Ų | 40.4 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.9 | 175.4 | -54.2 | 178.3 | 0 | 0 | 0 | 108.9 | D1444 L1445 V1446 C1451 | D1444-I1453 HydrophobicContact CB-CG2 4.19Å; L1445-I1453 CarbonylContact O-C 3.5Å; L1445-I1453 WeakPolarHBondContact O-CA 3.3Å; V1446-I1453 HydrophobicContact CG2-CG1 4.42Å; C1451-I1453 PolarHBondContact O-N 3.29Å |
| 1454 | I | 93.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 42.9 Ų | 42.9 | 21% | 0.205 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 96 | 175.7 | -53.3 | 161.9 | 0 | 0 | 0 | 105.7 | L1445 V1457 M1481 L1483 | L1445-I1454 HydrophobicContact CB-CB 4.36Å; L1445-I1454 PolarHBondContact N-O 3.47Å; L1445-I1454 PolarHBondContact O-N 3.37Å; I1454-V1457 HydrophobicContact CG2-CG1 3.81Å; I1454-V1457 HydrophobicContact CG2-CG2 4.44Å; I1454-M1481 HydrophobicContact CD1-CE 3.43Å; I1454-M1481 VanDerWaalsContact CD1-CE 3.43Å; I1454-M1481 HydrophobicContact CD1-SD 3.92Å; I1454-L1483 HydrophobicContact CD1-CD2 3.71Å |
| 1455 | S | 91 | Very high | 93.9 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 43% | 0.427 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 160.1 | -175.3 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | D1444 V1457 | D1444-S1455 WeakPolarHBondContact OD1-CA 3.43Å; D1444-S1455 WeakPolarHBondContact OD1-CB 3.29Å; D1444-S1455 PolarHBondContact OD1-OG 2.88Å; S1455-V1457 VanDerWaalsContact C-N 3.35Å; S1455-V1457 PolarHBondContact O-N 3.14Å |
| 1456 | D | 89 | Confident | 93.9 | Very high | 128 Ų | 128 | 41.4 Ų | 41.4 | 68% | 0.684 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 56.1 | 42.9 | 172.4 | -154.2 | 38.2 | 0 | 0 | 0 | 113.7 | V1443 | V1443-D1456 PolarHBondContact O-N 2.93Å |
| 1457 | V | 93.8 | Very high | 94 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 16% | 0.164 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 152.2 | 174.1 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | D1442 V1443 L1445 I1454 S1455 | D1442-V1457 WeakPolarHBondContact CA-O 3.25Å; V1443-V1457 HydrophobicContact CG2-CG2 4.49Å; V1443-V1457 VanDerWaalsContact CG2-O 3.32Å; V1443-V1457 WeakPolarHBondContact CG2-O 3.45Å; V1443-V1457 PolarHBondContact N-O 3.2Å; V1443-V1457 WeakPolarHBondContact O-CG2 3.48Å; V1443-V1457 PolarHBondContact O-N 3.37Å; L1445-V1457 HydrophobicContact CD1-CG2 3.71Å; L1445-V1457 HydrophobicContact CG-CG2 3.66Å; I1454-V1457 HydrophobicContact CG2-CG1 3.81Å; I1454-V1457 HydrophobicContact CG2-CG2 4.44Å; S1455-V1457 VanDerWaalsContact C-N 3.35Å; S1455-V1457 PolarHBondContact O-N 3.14Å |
| 1458 | K | 95.6 | Very high | 94 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 27% | 0.274 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 133 | -178.4 | -65.5 | -64.9 | -178 | -168.9 | 0 | 111 | D1440 D1442 R1460 D1461 | D1440-K1458 WeakPolarHBondContact O-CD 3.41Å; D1440-K1458 PolarHBondContact O-NZ 2.87Å; D1442-K1458 WeakPolarHBondContact OD1-CD 3.49Å; D1442-K1458 WeakPolarHBondContact OD1-CE 3.27Å; D1442-K1458 IonicContact OD1-NZ 3.92Å; D1442-K1458 PolarHBondContact OD1-NZ 3.11Å; D1442-K1458 IonicContact OD2-NZ 3.4Å; D1442-K1458 PolarHBondContact OD2-NZ 2.9Å; K1458-R1460 HydrophobicContact CB-CG 3.86Å; K1458-R1460 PolarHBondContact O-N 3.29Å; K1458-D1461 WeakPolarHBondContact O-CB 3.33Å; K1458-D1461 PolarHBondContact O-N 2.94Å |
| 1459 | V | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -20.3 | -177.1 | 76.7 | 0 | 0 | 0 | 0 | 113 | F1438 Q1441 V1443 D1461 F1462 W1463 L1485 W1488 | F1438-V1459 WeakPolarHBondContact O-CG1 3.4Å; Q1441-V1459 HydrophobicContact CB-CG1 4.16Å; Q1441-V1459 PolarHBondContact O-N 3.28Å; V1443-V1459 HydrophobicContact CG1-CB 3.93Å; V1443-V1459 HydrophobicContact CG1-CG2 4.09Å; V1443-V1459 HydrophobicContact CG2-CB 3.74Å; V1443-V1459 HydrophobicContact CG2-CG2 4.01Å; V1459-D1461 VanDerWaalsContact C-N 3.28Å; V1459-D1461 PolarHBondContact O-N 3.47Å; V1459-F1462 PolarHBondContact O-N 3.05Å; V1459-W1463 PolarHBondContact O-N 3.25Å; V1459-L1485 HydrophobicContact CG2-CD1 3.97Å; V1459-L1485 HydrophobicContact CG2-CD2 3.69Å; V1459-W1488 HydrophobicContact CG2-CD2 4.41Å |
| 1460 | R | 96.9 | Very high | 93.8 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 32% | 0.317 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.9 | -38.2 | 167.5 | 63.6 | 166.2 | 55.9 | 90.2 | 0.7 | 113.1 | G1439 D1440 K1458 F1462 W1463 D1464 | G1439-R1460 WeakPolarHBondContact O-CB 3.4Å; G1439-R1460 WeakPolarHBondContact O-CG 3.3Å; G1439-R1460 PolarHBondContact O-N 2.92Å; D1440-R1460 IonicContact OD1-CZ 3.89Å; D1440-R1460 VanDerWaalsContact OD1-CZ 3.25Å; D1440-R1460 IonicContact OD1-NH1 3.51Å; D1440-R1460 PolarHBondContact OD1-NH1 2.76Å; D1440-R1460 IonicContact OD1-NH2 2.66Å; D1440-R1460 PolarHBondContact OD1-NH2 2.66Å; D1440-R1460 IonicContact OD2-CZ 3.18Å; D1440-R1460 IonicContact OD2-NH1 3.93Å; D1440-R1460 IonicContact OD2-NH2 3.09Å; D1440-R1460 PolarHBondContact OD2-NH2 3.4Å; K1458-R1460 HydrophobicContact CB-CG 3.86Å; K1458-R1460 PolarHBondContact O-N 3.29Å; R1460-F1462 PolarHBondContact O-N 3.5Å; R1460-W1463 PolarHBondContact O-N 3.1Å; R1460-W1463 VanDerWaalsContact O-N 3.1Å; R1460-D1464 VanDerWaalsContact O-CB 3.31Å; R1460-D1464 WeakPolarHBondContact O-CB 3.31Å; R1460-D1464 PolarHBondContact O-N 2.75Å |
| 1461 | D | 96.7 | Very high | 94 | Very high | 66 Ų | 66 | 48 Ų | 48 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.5 | -27.7 | -173.2 | -58.5 | -36.1 | 0 | 0 | 0 | 110.9 | K1458 V1459 | K1458-D1461 WeakPolarHBondContact O-CB 3.33Å; K1458-D1461 PolarHBondContact O-N 2.94Å; V1459-D1461 VanDerWaalsContact C-N 3.28Å; V1459-D1461 PolarHBondContact O-N 3.47Å |
| 1462 | F | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.3 | -52.8 | 166.5 | 173.9 | -95.6 | 0 | 0 | 0 | 111.9 | L1445 V1459 R1460 G1465 F1466 L1483 L1485 N1542 Y1544 | L1445-F1462 HydrophobicContact CD1-CB 4.08Å; L1445-F1462 HydrophobicContact CD2-CB 3.92Å; L1445-F1462 HydrophobicContact CD2-CD2 3.98Å; L1445-F1462 HydrophobicContact CD2-CG 4.12Å; V1459-F1462 PolarHBondContact O-N 3.05Å; R1460-F1462 PolarHBondContact O-N 3.5Å; F1462-G1465 PolarHBondContact O-N 3.41Å; F1462-F1466 AromaticContact CE1-CD2 3.89Å; F1462-F1466 HydrophobicContact CE1-CD2 3.89Å; F1462-F1466 HydrophobicContact CE1-CE2 4.15Å; F1462-F1466 AromaticContact CZ-CD2 3.9Å; F1462-F1466 HydrophobicContact CZ-CD2 3.9Å; F1462-F1466 HydrophobicContact CZ-CE2 4.03Å; F1462-F1466 PolarHBondContact O-N 3.27Å; F1462-L1483 HydrophobicContact CD2-CB 4.1Å; F1462-L1483 HydrophobicContact CE2-CB 4.23Å; F1462-L1485 HydrophobicContact CD1-CB 4.11Å; F1462-L1485 HydrophobicContact CD1-CD2 3.96Å; F1462-L1485 HydrophobicContact CD2-CB 4.21Å; F1462-L1485 HydrophobicContact CE1-CB 3.96Å; F1462-L1485 HydrophobicContact CE1-CD2 4.12Å; F1462-L1485 HydrophobicContact CE2-CB 4.06Å; F1462-L1485 HydrophobicContact CG-CB 4.23Å; F1462-L1485 HydrophobicContact CZ-CB 3.94Å; F1462-N1542 HydrophobicContact CE1-CB 3.8Å; F1462-N1542 HydrophobicContact CZ-CB 3.91Å; F1462-Y1544 WeakPolarHBondContact CA-OH 3.26Å; F1462-Y1544 HydrophobicContact CD2-CD1 4.4Å; F1462-Y1544 AromaticContact CD2-CE1 3.66Å; F1462-Y1544 HydrophobicContact CD2-CE1 3.66Å; F1462-Y1544 AromaticContact CD2-CZ 3.93Å; F1462-Y1544 AromaticContact CE2-CD1 3.77Å; F1462-Y1544 HydrophobicContact CE2-CD1 3.77Å; F1462-Y1544 AromaticContact CE2-CE1 3.46Å; F1462-Y1544 HydrophobicContact CE2-CE1 3.46Å; F1462-Y1544 VanDerWaalsContact CE2-CE1 3.46Å; F1462-Y1544 HydrophobicContact CG-CE1 4.32Å; F1462-Y1544 HydrophobicContact CZ-CD1 4.15Å; F1462-Y1544 AromaticContact CZ-CE1 3.98Å; F1462-Y1544 HydrophobicContact CZ-CE1 3.98Å; F1462-Y1544 VanDerWaalsContact O-CE1 3.32Å; F1462-Y1544 WeakPolarHBondContact O-CE1 3.42Å; F1462-Y1544 PolarHBondContact O-OH 2.85Å |
| 1463 | W | 97.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.6 | -38.2 | -174.2 | -72.2 | 119.7 | 0 | 0 | 0 | 113.8 | P1431 F1434 V1459 R1460 G1465 F1466 L1485 W1488 N1542 I1698 | P1431-W1463 HydrophobicContact CB-CE3 3.55Å; P1431-W1463 HydrophobicContact CB-CZ3 3.91Å; F1434-W1463 HydrophobicContact CB-CD2 3.94Å; F1434-W1463 HydrophobicContact CB-CG 4.27Å; F1434-W1463 HydrophobicContact CB-CH2 4.49Å; F1434-W1463 HydrophobicContact CB-CZ2 3.84Å; F1434-W1463 AromaticContact CD2-CH2 3.93Å; F1434-W1463 HydrophobicContact CD2-CH2 3.93Å; F1434-W1463 HydrophobicContact CD2-CZ2 4Å; F1434-W1463 HydrophobicContact CD2-CZ3 4.36Å; F1434-W1463 HydrophobicContact CG-CH2 4.41Å; F1434-W1463 HydrophobicContact CG-CZ2 4.01Å; V1459-W1463 PolarHBondContact O-N 3.25Å; R1460-W1463 PolarHBondContact O-N 3.1Å; R1460-W1463 VanDerWaalsContact O-N 3.1Å; W1463-G1465 VanDerWaalsContact C-N 3.27Å; W1463-G1465 PolarHBondContact O-N 3.25Å; W1463-F1466 HydrophobicContact CE3-CB 4.46Å; W1463-F1466 AromaticContact CE3-CD2 3.88Å; W1463-F1466 HydrophobicContact CE3-CD2 3.88Å; W1463-F1466 HydrophobicContact CE3-CE2 4.28Å; W1463-F1466 HydrophobicContact CE3-CG 4.18Å; W1463-F1466 AromaticContact CZ3-CD2 3.77Å; W1463-F1466 HydrophobicContact CZ3-CD2 3.77Å; W1463-F1466 AromaticContact CZ3-CE2 3.68Å; W1463-F1466 HydrophobicContact CZ3-CE2 3.68Å; W1463-F1466 HydrophobicContact CZ3-CG 4.3Å; W1463-F1466 HydrophobicContact CZ3-CZ 4.12Å; W1463-F1466 WeakPolarHBondContact O-CB 3.48Å; W1463-F1466 PolarHBondContact O-N 2.98Å; W1463-F1466 VanDerWaalsContact O-N 3.14Å; W1463-L1485 HydrophobicContact CZ2-CD2 4.25Å; W1463-W1488 HydrophobicContact CZ2-CE3 4.21Å; W1463-W1488 AromaticContact CZ2-CZ3 3.75Å; W1463-W1488 HydrophobicContact CZ2-CZ3 3.75Å; W1463-W1488 AromaticContact NE1-CZ3 3.93Å; W1463-N1542 HydrophobicContact CH2-CB 3.74Å; W1463-N1542 WeakPolarHBondContact CH2-OD1 3.47Å; W1463-N1542 HydrophobicContact CZ2-CB 4.1Å; W1463-I1698 HydrophobicContact CH2-CD1 3.64Å; W1463-I1698 HydrophobicContact CH2-CG1 3.93Å; W1463-I1698 HydrophobicContact CZ3-CD1 3.51Å; W1463-I1698 HydrophobicContact CZ3-CG1 3.89Å |
| 1464 | D | 96.5 | Very high | 94.7 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69 | -25.4 | 177.7 | -94.6 | 56.2 | 0 | 0 | 0 | 112.6 | S1435 R1460 K1471 | S1435-D1464 PolarHBondContact OG-OD1 3.36Å; R1460-D1464 VanDerWaalsContact O-CB 3.31Å; R1460-D1464 WeakPolarHBondContact O-CB 3.31Å; R1460-D1464 PolarHBondContact O-N 2.75Å; D1464-K1471 HydrophobicContact CB-CD 4.13Å; D1464-K1471 WeakPolarHBondContact O-CD 3.43Å; D1464-K1471 IonicContact OD2-NZ 2.76Å; D1464-K1471 PolarHBondContact OD2-NZ 3Å |
| 1465 | G | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -2.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1462 W1463 R1472 | F1462-G1465 PolarHBondContact O-N 3.41Å; W1463-G1465 VanDerWaalsContact C-N 3.27Å; W1463-G1465 PolarHBondContact O-N 3.25Å; G1465-R1472 WeakPolarHBondContact O-CG 3.11Å; G1465-R1472 PolarHBondContact O-NE 2.69Å |
| 1466 | F | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -61.4 | -54.6 | -168.4 | -164.8 | -99.3 | 0 | 0 | 0 | 112.9 | P1431 F1462 W1463 R1472 Y1544 Y1572 S1696 I1698 | P1431-F1466 HydrophobicContact CB-CB 4.35Å; P1431-F1466 HydrophobicContact CB-CD1 3.89Å; P1431-F1466 HydrophobicContact CB-CE1 4.41Å; P1431-F1466 HydrophobicContact CB-CG 4.19Å; P1431-F1466 HydrophobicContact CG-CD1 4.07Å; F1462-F1466 AromaticContact CE1-CD2 3.89Å; F1462-F1466 HydrophobicContact CE1-CD2 3.89Å; F1462-F1466 HydrophobicContact CE1-CE2 4.15Å; F1462-F1466 AromaticContact CZ-CD2 3.9Å; F1462-F1466 HydrophobicContact CZ-CD2 3.9Å; F1462-F1466 HydrophobicContact CZ-CE2 4.03Å; F1462-F1466 PolarHBondContact O-N 3.27Å; W1463-F1466 HydrophobicContact CE3-CB 4.46Å; W1463-F1466 AromaticContact CE3-CD2 3.88Å; W1463-F1466 HydrophobicContact CE3-CD2 3.88Å; W1463-F1466 HydrophobicContact CE3-CE2 4.28Å; W1463-F1466 HydrophobicContact CE3-CG 4.18Å; W1463-F1466 AromaticContact CZ3-CD2 3.77Å; W1463-F1466 HydrophobicContact CZ3-CD2 3.77Å; W1463-F1466 AromaticContact CZ3-CE2 3.68Å; W1463-F1466 HydrophobicContact CZ3-CE2 3.68Å; W1463-F1466 HydrophobicContact CZ3-CG 4.3Å; W1463-F1466 HydrophobicContact CZ3-CZ 4.12Å; W1463-F1466 WeakPolarHBondContact O-CB 3.48Å; W1463-F1466 PolarHBondContact O-N 2.98Å; W1463-F1466 VanDerWaalsContact O-N 3.14Å; F1466-R1472 PolarHBondContact O-NH2 3.49Å; F1466-Y1544 HydrophobicContact CB-CE1 4.27Å; F1466-Y1544 AromaticContact CD2-CD1 3.94Å; F1466-Y1544 HydrophobicContact CD2-CD1 3.94Å; F1466-Y1544 HydrophobicContact CD2-CE1 4.03Å; F1466-Y1572 HydrophobicContact CE1-CD1 4.1Å; F1466-Y1572 HydrophobicContact CE1-CE1 4.22Å; F1466-S1696 VanDerWaalsContact CE1-CB 3.44Å; F1466-S1696 VanDerWaalsContact CZ-C 3.48Å; F1466-S1696 WeakPolarHBondContact O-CB 3.27Å; F1466-S1696 PolarHBondContact O-OG 3.24Å; F1466-I1698 HydrophobicContact CE1-CG1 4.24Å; F1466-I1698 HydrophobicContact CE2-CG1 4.33Å; F1466-I1698 HydrophobicContact CZ-CD1 4.35Å; F1466-I1698 HydrophobicContact CZ-CG1 3.63Å |
| 1467 | E | 95.2 | Very high | 94.7 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 15% | 0.15 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -98.7 | -20.6 | 173.3 | -58.7 | -163.7 | 135.7 | 0 | 0 | 113.4 | Y1572 G1574 I1575 P1576 I1577 | E1467-Y1572 PolarHBondContact OE1-OH 2.88Å; E1467-G1574 WeakPolarHBondContact OE1-CA 3.44Å; E1467-I1575 PolarHBondContact OE1-N 3.37Å; E1467-P1576 VanDerWaalsContact O-CA 3.3Å; E1467-P1576 WeakPolarHBondContact O-CA 3.47Å; E1467-I1577 HydrophobicContact CB-CD1 4.48Å; E1467-I1577 HydrophobicContact CB-CG1 4.44Å; E1467-I1577 PolarHBondContact O-N 2.98Å |
| 1468 | I | 93.9 | Very high | 94.5 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | trans | -101.8 | 91.6 | -173.5 | -57.1 | 176.4 | 0 | 0 | 0 | 109.3 | C1470 K1471 | I1468-C1470 VanDerWaalsContact CG2-SG 3.51Å; I1468-C1470 PolarHBondContact O-N 3.1Å; I1468-C1470 VanDerWaalsContact O-N 3.13Å; I1468-K1471 HydrophobicContact CB-CB 4.36Å; I1468-K1471 HydrophobicContact CB-CD 4.15Å; I1468-K1471 HydrophobicContact CB-CG 4.37Å; I1468-K1471 HydrophobicContact CD1-CD 4.2Å; I1468-K1471 HydrophobicContact CG2-CB 4.13Å; I1468-K1471 HydrophobicContact CG2-CD 4.01Å; I1468-K1471 HydrophobicContact CG2-CG 3.84Å; I1468-K1471 WeakPolarHBondContact O-CB 3.24Å; I1468-K1471 PolarHBondContact O-N 2.94Å | ||
| 1469 | I | 92.2 | Very high | 94.3 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -54.9 | -36.8 | -174 | -64 | 174.8 | 0 | 0 | 0 | 112.5 | K1471 R1472 P1480 P1576 | I1469-K1471 PolarHBondContact O-N 2.87Å; I1469-R1472 WeakPolarHBondContact O-CB 3.4Å; I1469-R1472 WeakPolarHBondContact O-CG 3.5Å; I1469-R1472 PolarHBondContact O-N 3.4Å; I1469-P1480 HydrophobicContact CG2-CB 3.9Å; I1469-P1480 HydrophobicContact CG2-CG 3.79Å; I1469-P1576 HydrophobicContact CD1-CB 3.73Å; I1469-P1576 HydrophobicContact CD1-CG 4.17Å; I1469-P1576 HydrophobicContact CG1-CB 4.07Å |
| 1470 | C | 92 | Very high | 94.2 | Very high | 97 Ų | 97 | 61.3 Ų | 61.3 | 66% | 0.655 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -70.5 | -15.7 | -178.5 | 64.1 | 0 | 0 | 0 | 0 | 114.7 | I1468 | I1468-C1470 VanDerWaalsContact CG2-SG 3.51Å; I1468-C1470 PolarHBondContact O-N 3.1Å; I1468-C1470 VanDerWaalsContact O-N 3.13Å |
| 1471 | K | 94.6 | Very high | 94.1 | Very high | 108 Ų | 108 | 58.1 Ų | 58.1 | 47% | 0.47 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -87.1 | -13.1 | 174 | -81.1 | -176.7 | 163.5 | -168 | 0 | 114 | D1464 I1468 I1469 | D1464-K1471 HydrophobicContact CB-CD 4.13Å; D1464-K1471 WeakPolarHBondContact O-CD 3.43Å; D1464-K1471 IonicContact OD2-NZ 2.76Å; D1464-K1471 PolarHBondContact OD2-NZ 3Å; I1468-K1471 HydrophobicContact CB-CB 4.36Å; I1468-K1471 HydrophobicContact CB-CD 4.15Å; I1468-K1471 HydrophobicContact CB-CG 4.37Å; I1468-K1471 HydrophobicContact CD1-CD 4.2Å; I1468-K1471 HydrophobicContact CG2-CB 4.13Å; I1468-K1471 HydrophobicContact CG2-CD 4.01Å; I1468-K1471 HydrophobicContact CG2-CG 3.84Å; I1468-K1471 WeakPolarHBondContact O-CB 3.24Å; I1468-K1471 PolarHBondContact O-N 2.94Å; I1469-K1471 PolarHBondContact O-N 2.87Å |
| 1472 | R | 95.5 | Very high | 94.1 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -64.4 | 147.1 | -177 | -64.3 | 179.2 | 176.7 | -175.5 | -0.2 | 111.7 | G1465 F1466 I1469 P1480 Y1544 S1696 | G1465-R1472 WeakPolarHBondContact O-CG 3.11Å; G1465-R1472 PolarHBondContact O-NE 2.69Å; F1466-R1472 PolarHBondContact O-NH2 3.49Å; I1469-R1472 WeakPolarHBondContact O-CB 3.4Å; I1469-R1472 WeakPolarHBondContact O-CG 3.5Å; I1469-R1472 PolarHBondContact O-N 3.4Å; R1472-P1480 HydrophobicContact CB-CB 4.21Å; R1472-Y1544 HydrophobicContact CB-CE2 4.19Å; R1472-Y1544 VanDerWaalsContact CD-CE2 3.44Å; R1472-Y1544 HydrophobicContact CG-CD2 4.24Å; R1472-Y1544 HydrophobicContact CG-CE2 3.55Å; R1472-S1696 PolarHBondContact NH2-OG 3.08Å |
| 1473 | L | 95.2 | Very high | 94 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 28% | 0.277 | 28% | 0.284 | S | S | . | . | trans | -56.6 | 148.2 | 165.5 | -57.2 | 177.3 | 0 | 0 | 0 | 110.3 | L1445 M1481 L1483 | L1445-L1473 HydrophobicContact CD1-CD1 4.09Å; L1473-M1481 HydrophobicContact CB-CE 3.62Å; L1473-M1481 PolarHBondContact O-N 2.92Å; L1473-L1483 HydrophobicContact CB-CD1 4.19Å; L1473-L1483 HydrophobicContact CD1-CD1 4.25Å; L1473-L1483 HydrophobicContact CG-CD1 4.42Å | ||
| 1474 | R | 94.5 | Very high | 94 | Very high | 131 Ų | 131 | 56 Ų | 56 | 49% | 0.494 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -116.3 | 144.8 | -173.6 | -67.4 | 172 | -178.8 | -88.3 | -4.9 | 112.2 | G1478 Q1479 M1481 | R1474-G1478 WeakPolarHBondContact CD-O 3.23Å; R1474-G1478 PolarHBondContact NH1-O 3.18Å; R1474-Q1479 CarbonylContact C-O 3.59Å; R1474-Q1479 WeakPolarHBondContact CA-O 3.25Å; R1474-Q1479 WeakPolarHBondContact CB-O 3.47Å; R1474-M1481 WeakPolarHBondContact O-CE 3.42Å |
| 1475 | S | 91.9 | Very high | 93.8 | Very high | 30 Ų | 30 | 53 Ų | 53 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | trans | -77.9 | 174.8 | 172.8 | 30.4 | 0 | 0 | 0 | 0 | 111.3 | D1477 G1478 Q1479 | S1475-D1477 WeakPolarHBondContact CB-OD1 3.02Å; S1475-D1477 PolarHBondContact O-N 2.88Å; S1475-D1477 PolarHBondContact OG-OD1 3.42Å; S1475-G1478 WeakPolarHBondContact O-CA 3.26Å; S1475-G1478 PolarHBondContact O-N 2.88Å; S1475-Q1479 PolarHBondContact N-O 3.31Å; S1475-Q1479 PolarHBondContact OG-O 2.87Å | ||
| 1476 | E | 90.8 | Very high | 93.4 | Very high | 214 Ų | 214 | 54 Ų | 54 | 100% | 1 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.3 | -177 | -58 | -175.4 | 156 | 0 | 0 | 113.6 | G1478 | E1476-G1478 PolarHBondContact O-N 2.82Š|
| 1477 | D | 90.4 | Very high | 92.5 | Very high | 109 Ų | 109 | 56 Ų | 56 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -4.4 | 170.9 | 65.7 | -9.7 | 0 | 0 | 0 | 113.9 | S1475 Q1479 | S1475-D1477 WeakPolarHBondContact CB-OD1 3.02Å; S1475-D1477 PolarHBondContact O-N 2.88Å; S1475-D1477 PolarHBondContact OG-OD1 3.42Å; D1477-Q1479 VanDerWaalsContact C-N 3.3Å; D1477-Q1479 HydrophobicContact CB-CG 4.43Å; D1477-Q1479 PolarHBondContact O-N 2.84Å; D1477-Q1479 WeakPolarHBondContact OD1-CB 3.2Å; D1477-Q1479 PolarHBondContact OD1-N 3.21Å; D1477-Q1479 WeakPolarHBondContact OD2-CB 3.05Å; D1477-Q1479 WeakPolarHBondContact OD2-CG 3.47Å |
| 1478 | G | 90.4 | Very high | 92 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 79.3 | 0.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1474 S1475 E1476 | R1474-G1478 WeakPolarHBondContact CD-O 3.23Å; R1474-G1478 PolarHBondContact NH1-O 3.18Å; S1475-G1478 WeakPolarHBondContact O-CA 3.26Å; S1475-G1478 PolarHBondContact O-N 2.88Å; E1476-G1478 PolarHBondContact O-N 2.82Å |
| 1479 | Q | 91.2 | Very high | 91.6 | Very high | 107 Ų | 107 | 52.7 Ų | 52.7 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -79 | 148.9 | -177.3 | -63.3 | -64 | -6.9 | 0 | 0 | 112.4 | R1474 S1475 D1477 M1481 | R1474-Q1479 CarbonylContact C-O 3.59Å; R1474-Q1479 WeakPolarHBondContact CA-O 3.25Å; R1474-Q1479 WeakPolarHBondContact CB-O 3.47Å; S1475-Q1479 PolarHBondContact N-O 3.31Å; S1475-Q1479 PolarHBondContact OG-O 2.87Å; D1477-Q1479 VanDerWaalsContact C-N 3.3Å; D1477-Q1479 HydrophobicContact CB-CG 4.43Å; D1477-Q1479 PolarHBondContact O-N 2.84Å; D1477-Q1479 WeakPolarHBondContact OD1-CB 3.2Å; D1477-Q1479 PolarHBondContact OD1-N 3.21Å; D1477-Q1479 WeakPolarHBondContact OD2-CB 3.05Å; D1477-Q1479 WeakPolarHBondContact OD2-CG 3.47Å; Q1479-M1481 PolarHBondContact O-N 2.78Å |
| 1480 | P | 93.4 | Very high | 90.6 | Very high | 24 Ų | 24 | 54 Ų | 54 | 16% | 0.156 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -61.7 | 123.9 | 170.5 | -20.3 | 33.3 | 0 | 0 | 0 | 111.1 | R1449 I1469 R1472 | R1449-P1480 PolarHBondContact NH1-O 3.06Å; I1469-P1480 HydrophobicContact CG2-CB 3.9Å; I1469-P1480 HydrophobicContact CG2-CG 3.79Å; R1472-P1480 HydrophobicContact CB-CB 4.21Å |
| 1481 | M | 94.6 | Very high | 89.2 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 151.1 | 179.2 | -65.7 | -170.9 | -74.7 | 0 | 0 | 111.8 | N1447 I1454 L1473 R1474 Q1479 L1483 Y1544 | N1447-M1481 HydrophobicContact CB-SD 4.35Å; N1447-M1481 PolarHBondContact ND2-SD 3.1Å; I1454-M1481 HydrophobicContact CD1-CE 3.43Å; I1454-M1481 VanDerWaalsContact CD1-CE 3.43Å; I1454-M1481 HydrophobicContact CD1-SD 3.92Å; L1473-M1481 HydrophobicContact CB-CE 3.62Å; L1473-M1481 PolarHBondContact O-N 2.92Å; R1474-M1481 WeakPolarHBondContact O-CE 3.42Å; Q1479-M1481 PolarHBondContact O-N 2.78Å; M1481-L1483 HydrophobicContact CB-CD2 3.63Å; M1481-L1483 HydrophobicContact CB-CG 3.99Å; M1481-L1483 HydrophobicContact CE-CD2 4.32Å; M1481-L1483 HydrophobicContact SD-CD2 4.42Å; M1481-Y1544 WeakPolarHBondContact O-CD2 3.3Å |
| 1482 | V | 95.7 | Very high | 87.3 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | trans | -96.5 | 104.7 | 168.8 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | C1448 L1546 | C1448-V1482 HydrophobicContact CB-CG1 4.17Å; C1448-V1482 PolarHBondContact N-O 2.84Å; C1448-V1482 PolarHBondContact SG-O 2.82Å; V1482-L1546 HydrophobicContact CB-CD2 4.16Å; V1482-L1546 HydrophobicContact CG1-CD2 3.68Å; V1482-L1546 HydrophobicContact CG1-CG 3.99Å; V1482-L1546 HydrophobicContact CG2-CD2 4.26Å | ||
| 1483 | L | 96.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 141.6 | -169.6 | -57.8 | 175.5 | 0 | 0 | 0 | 111.3 | L1445 V1446 N1447 I1454 F1462 L1473 M1481 A1543 Y1544 | L1445-L1483 HydrophobicContact CD1-CD1 3.86Å; V1446-L1483 WeakPolarHBondContact O-CA 3.35Å; N1447-L1483 HydrophobicContact CB-CD2 4.31Å; I1454-L1483 HydrophobicContact CD1-CD2 3.71Å; F1462-L1483 HydrophobicContact CD2-CB 4.1Å; F1462-L1483 HydrophobicContact CE2-CB 4.23Å; L1473-L1483 HydrophobicContact CB-CD1 4.19Å; L1473-L1483 HydrophobicContact CD1-CD1 4.25Å; L1473-L1483 HydrophobicContact CG-CD1 4.42Å; M1481-L1483 HydrophobicContact CB-CD2 3.63Å; M1481-L1483 HydrophobicContact CB-CG 3.99Å; M1481-L1483 HydrophobicContact CE-CD2 4.32Å; M1481-L1483 HydrophobicContact SD-CD2 4.42Å; L1483-A1543 CarbonylContact O-C 3.56Å; L1483-A1543 VanDerWaalsContact O-CA 3.29Å; L1483-A1543 WeakPolarHBondContact O-CA 3.44Å; L1483-Y1544 HydrophobicContact CB-CD2 3.97Å; L1483-Y1544 HydrophobicContact CB-CE2 3.76Å; L1483-Y1544 HydrophobicContact CD1-CE2 3.83Å; L1483-Y1544 HydrophobicContact CG-CD2 4.26Å; L1483-Y1544 HydrophobicContact CG-CE2 3.83Å; L1483-Y1544 VanDerWaalsContact N-CD2 3.34Å; L1483-Y1544 PolarHBondContact O-N 2.87Å |
| 1484 | K | 96.3 | Very high | 84.7 | Confident | 27 Ų | 27 | 53 Ų | 53 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.9 | 163.3 | 173.8 | 174 | 178.9 | 175.2 | 0 | 107.8 | M530 L1445 V1446 A1543 T1556 T1557 | M530-K1484 HydrophobicContact CE-CD 4.34Å; L1445-K1484 CarbonylContact C-O 3.58Å; L1445-K1484 WeakPolarHBondContact CA-O 3.28Å; V1446-K1484 PolarHBondContact N-O 3.32Å; V1446-K1484 PolarHBondContact O-N 3.48Å; K1484-A1543 HydrophobicContact CB-CB 3.95Å; K1484-A1543 HydrophobicContact CG-CB 4.24Å; K1484-T1556 WeakPolarHBondContact CD-O 3.4Å; K1484-T1556 PolarHBondContact NZ-O 3.32Å; K1484-T1557 PolarHBondContact NZ-OG1 3.42Å |
| 1485 | L | 93.6 | Very high | 84.1 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 123.2 | 170.6 | 174.8 | 57.5 | 0 | 0 | 0 | 108.2 | V1443 L1445 V1459 F1462 W1463 W1488 N1542 | V1443-L1485 HydrophobicContact CB-CD1 3.76Å; V1443-L1485 HydrophobicContact CG1-CD1 4.05Å; V1443-L1485 HydrophobicContact CG2-CD1 3.63Å; L1445-L1485 HydrophobicContact CD2-CB 4.08Å; L1445-L1485 HydrophobicContact CD2-CD1 3.51Å; L1445-L1485 HydrophobicContact CD2-CG 4.4Å; V1459-L1485 HydrophobicContact CG2-CD1 3.97Å; V1459-L1485 HydrophobicContact CG2-CD2 3.69Å; F1462-L1485 HydrophobicContact CD1-CB 4.11Å; F1462-L1485 HydrophobicContact CD1-CD2 3.96Å; F1462-L1485 HydrophobicContact CD2-CB 4.21Å; F1462-L1485 HydrophobicContact CE1-CB 3.96Å; F1462-L1485 HydrophobicContact CE1-CD2 4.12Å; F1462-L1485 HydrophobicContact CE2-CB 4.06Å; F1462-L1485 HydrophobicContact CG-CB 4.23Å; F1462-L1485 HydrophobicContact CZ-CB 3.94Å; W1463-L1485 HydrophobicContact CZ2-CD2 4.25Å; L1485-W1488 HydrophobicContact CD1-CB 3.99Å; L1485-W1488 HydrophobicContact CD1-CG 4.36Å; L1485-W1488 HydrophobicContact CD2-CB 3.75Å; L1485-W1488 HydrophobicContact CD2-CD2 3.78Å; L1485-W1488 HydrophobicContact CD2-CE3 3.57Å; L1485-W1488 HydrophobicContact CD2-CG 3.85Å; L1485-W1488 HydrophobicContact CD2-CZ3 4.49Å; L1485-W1488 HydrophobicContact CG-CB 3.62Å; L1485-W1488 HydrophobicContact CG-CG 4.19Å; L1485-N1542 HydrophobicContact CB-CB 4.15Å; L1485-N1542 HydrophobicContact CD2-CB 4.27Å; L1485-N1542 PolarHBondContact N-O 3.06Å |
| 1486 | K | 85.8 | Confident | 83.6 | Confident | 20 Ų | 20 | 57 Ų | 57 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | trans | -86.9 | 141.1 | -176.4 | -177.2 | -179.7 | 159.6 | -147.2 | 0 | 110.2 | D1444 V1446 W1488 | D1444-K1486 HydrophobicContact CB-CB 3.91Å; D1444-K1486 HydrophobicContact CB-CD 3.8Å; D1444-K1486 HydrophobicContact CB-CG 4.32Å; D1444-K1486 WeakPolarHBondContact O-CB 3.35Å; D1444-K1486 PolarHBondContact O-N 2.88Å; D1444-K1486 IonicContact OD2-NZ 2.71Å; D1444-K1486 PolarHBondContact OD2-NZ 3.16Å; V1446-K1486 HydrophobicContact CG2-CB 4.19Å; V1446-K1486 HydrophobicContact CG2-CD 4.29Å; K1486-W1488 VanDerWaalsContact C-N 3.28Å; K1486-W1488 PolarHBondContact O-N 3.42Å | ||
| 1487 | D | 78.5 | Confident | 83.2 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 41.7 | 47.2 | 166.3 | -54.1 | 20.7 | 0 | 0 | 0 | 114.2 | F526 P1489 P1490 | F526-D1487 PolarHBondContact N-OD2 3.34Å; D1487-P1489 CarbonylContact O-C 3.58Å; D1487-P1489 VanDerWaalsContact O-C 3.29Å; D1487-P1490 WeakPolarHBondContact O-CA 3.43Å; D1487-P1490 VanDerWaalsContact O-N 3.15Å |
| 1488 | W | 84.9 | Confident | 83.2 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 2% | 0.023 | 25% | 0.249 | C | C | . | . | trans | -126.2 | 121.2 | -174.7 | -165.7 | 78.9 | 0 | 0 | 0 | 113.6 | F1434 F1438 V1443 V1459 W1463 L1485 K1486 M1498 M1540 | F1434-W1488 HydrophobicContact CB-CH2 4.29Å; F1434-W1488 HydrophobicContact CB-CZ3 4.46Å; F1434-W1488 AromaticContact CD1-CH2 3.92Å; F1434-W1488 HydrophobicContact CD1-CH2 3.92Å; F1434-W1488 HydrophobicContact CD1-CZ3 4.06Å; F1434-W1488 HydrophobicContact CG-CH2 4.41Å; F1434-W1488 HydrophobicContact CG-CZ3 4.37Å; F1438-W1488 HydrophobicContact CB-CH2 4.1Å; F1438-W1488 HydrophobicContact CB-CZ2 3.55Å; F1438-W1488 HydrophobicContact CD1-CZ2 4.47Å; F1438-W1488 AromaticContact CD2-CH2 3.71Å; F1438-W1488 HydrophobicContact CD2-CH2 3.71Å; F1438-W1488 AromaticContact CD2-CZ2 3.9Å; F1438-W1488 HydrophobicContact CD2-CZ2 3.9Å; F1438-W1488 HydrophobicContact CE2-CH2 4.46Å; F1438-W1488 HydrophobicContact CG-CH2 4.04Å; F1438-W1488 AromaticContact CG-CZ2 3.71Å; F1438-W1488 HydrophobicContact CG-CZ2 3.71Å; V1443-W1488 HydrophobicContact CG1-CG 4.41Å; V1459-W1488 HydrophobicContact CG2-CD2 4.41Å; W1463-W1488 HydrophobicContact CZ2-CE3 4.21Å; W1463-W1488 AromaticContact CZ2-CZ3 3.75Å; W1463-W1488 HydrophobicContact CZ2-CZ3 3.75Å; W1463-W1488 AromaticContact NE1-CZ3 3.93Å; L1485-W1488 HydrophobicContact CD1-CB 3.99Å; L1485-W1488 HydrophobicContact CD1-CG 4.36Å; L1485-W1488 HydrophobicContact CD2-CB 3.75Å; L1485-W1488 HydrophobicContact CD2-CD2 3.78Å; L1485-W1488 HydrophobicContact CD2-CE3 3.57Å; L1485-W1488 HydrophobicContact CD2-CG 3.85Å; L1485-W1488 HydrophobicContact CD2-CZ3 4.49Å; L1485-W1488 HydrophobicContact CG-CB 3.62Å; L1485-W1488 HydrophobicContact CG-CG 4.19Å; K1486-W1488 VanDerWaalsContact C-N 3.28Å; K1486-W1488 PolarHBondContact O-N 3.42Å; W1488-M1498 HydrophobicContact CH2-SD 4.43Å; W1488-M1540 HydrophobicContact CE3-CE 3.56Å; W1488-M1540 HydrophobicContact CH2-CE 4.37Å; W1488-M1540 HydrophobicContact CZ3-CE 3.31Å | ||
| 1489 | P | 84.5 | Confident | 83.2 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 11% | 0.11 | 25% | 0.25 | C | C | . | . | S | Bend | cis | -62 | 144.8 | -0.3 | -24.6 | 35.7 | 0 | 0 | 0 | 114.2 | D1487 F1494 M1497 M1498 | D1487-P1489 CarbonylContact O-C 3.58Å; D1487-P1489 VanDerWaalsContact O-C 3.29Å; P1489-F1494 HydrophobicContact CG-CD2 3.88Å; P1489-M1497 HydrophobicContact CB-CB 4.44Å; P1489-M1497 HydrophobicContact CB-CE 4.24Å; P1489-M1497 HydrophobicContact CB-SD 3.83Å; P1489-M1497 HydrophobicContact CG-SD 4.32Å; P1489-M1498 HydrophobicContact CG-CE 3.73Å; P1489-M1498 HydrophobicContact CG-SD 4.47Å |
| 1490 | P | 71.8 | Confident | 83.3 | Confident | 74 Ų | 74 | 43 Ų | 43 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | trans | -74.3 | 146.2 | 173.4 | 30.4 | -35.8 | 0 | 0 | 0 | 111.7 | D1487 M1497 | D1487-P1490 WeakPolarHBondContact O-CA 3.43Å; D1487-P1490 VanDerWaalsContact O-N 3.15Å; P1490-M1497 HydrophobicContact CG-CE 4.08Å | ||
| 1491 | G | 62.3 | Low | 83.4 | Confident | 71 Ų | 71 | 42.3 Ų | 42.3 | 73% | 0.732 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 87.6 | -175.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1492 | E | 55.4 | Low | 83.3 | Confident | 106 Ų | 106 | 42.5 Ų | 42.5 | 50% | 0.495 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -80.1 | -31.5 | -173.3 | -59.7 | -170.5 | 149.4 | 0 | 0 | 113.3 | F1494 | E1492-F1494 PolarHBondContact O-N 3.23Š|
| 1493 | D | 57.9 | Low | 83.2 | Confident | 70 Ų | 70 | 46.3 Ų | 46.3 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | trans | -102.4 | 77.8 | -174.2 | -86.8 | -61.6 | 0 | 0 | 0 | 113.7 | R1495 D1496 M1497 | D1493-R1495 HydrophobicContact CB-CB 4.41Å; D1493-R1495 PolarHBondContact O-N 3.38Å; D1493-R1495 WeakPolarHBondContact OD1-CB 3.18Å; D1493-D1496 HydrophobicContact CB-CB 3.89Å; D1493-D1496 PolarHBondContact O-N 2.92Å; D1493-M1497 PolarHBondContact O-N 2.91Å | ||
| 1494 | F | 78.4 | Confident | 83.2 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.022 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -44.7 | -31.8 | 151.9 | 176.5 | -76.2 | 0 | 0 | 0 | 111.4 | W1429 P1489 E1492 M1498 R1501 F1502 P1538 M1540 V1700 | W1429-F1494 HydrophobicContact CH2-CZ 4.11Å; W1429-F1494 HydrophobicContact CZ3-CZ 4.19Å; P1489-F1494 HydrophobicContact CG-CD2 3.88Å; E1492-F1494 PolarHBondContact O-N 3.23Å; F1494-M1498 HydrophobicContact CD2-CE 3.81Å; F1494-M1498 HydrophobicContact CE1-CE 4.26Å; F1494-M1498 HydrophobicContact CE2-CE 3.25Å; F1494-M1498 HydrophobicContact CG-CE 4.49Å; F1494-M1498 HydrophobicContact CZ-CE 3.53Å; F1494-M1498 WeakPolarHBondContact O-CA 3.13Å; F1494-M1498 PolarHBondContact O-N 2.81Å; F1494-R1501 HydrophobicContact CE1-CB 4.02Å; F1494-R1501 HydrophobicContact CZ-CB 4.08Å; F1494-F1502 HydrophobicContact CD1-CB 4.06Å; F1494-F1502 HydrophobicContact CD1-CD2 4.23Å; F1494-F1502 HydrophobicContact CE1-CB 4.14Å; F1494-P1538 HydrophobicContact CB-CG 4.34Å; F1494-P1538 VanDerWaalsContact CB-O 3.3Å; F1494-P1538 WeakPolarHBondContact CB-O 3.4Å; F1494-P1538 HydrophobicContact CD1-CG 3.72Å; F1494-P1538 HydrophobicContact CE1-CG 4.15Å; F1494-P1538 HydrophobicContact CG-CG 4.05Å; F1494-M1540 HydrophobicContact CD2-CB 4.42Å; F1494-M1540 HydrophobicContact CE2-CB 4.01Å; F1494-M1540 HydrophobicContact CE2-CG 4.49Å; F1494-M1540 HydrophobicContact CE2-SD 3.95Å; F1494-V1700 HydrophobicContact CE2-CG1 4.16Å; F1494-V1700 HydrophobicContact CZ-CG1 4.26Å |
| 1495 | R | 81.8 | Confident | 83.2 | Confident | 121 Ų | 121 | 45.4 Ų | 45.4 | 46% | 0.457 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 175.1 | -173 | 177.9 | -172 | -148.7 | -0.4 | 114 | D1493 P1499 F1502 | D1493-R1495 HydrophobicContact CB-CB 4.41Å; D1493-R1495 PolarHBondContact O-N 3.38Å; D1493-R1495 WeakPolarHBondContact OD1-CB 3.18Å; R1495-P1499 WeakPolarHBondContact O-CA 3.17Å; R1495-P1499 VanDerWaalsContact O-CB 3.25Å; R1495-P1499 WeakPolarHBondContact O-CB 3.46Å; R1495-P1499 VanDerWaalsContact O-CD 3.25Å; R1495-P1499 WeakPolarHBondContact O-CD 3.3Å; R1495-P1499 VanDerWaalsContact O-N 3.08Å; R1495-F1502 HydrophobicContact CB-CB 4.35Å; R1495-F1502 HydrophobicContact CB-CD1 4.32Å; R1495-F1502 HydrophobicContact CB-CD2 3.69Å; R1495-F1502 HydrophobicContact CB-CE2 4.01Å; R1495-F1502 HydrophobicContact CB-CG 3.86Å; R1495-F1502 HydrophobicContact CB-CZ 4.46Å; R1495-F1502 HydrophobicContact CG-CB 4.32Å; R1495-F1502 HydrophobicContact CG-CD1 3.76Å; R1495-F1502 HydrophobicContact CG-CD2 4.05Å; R1495-F1502 HydrophobicContact CG-CE1 4.03Å; R1495-F1502 HydrophobicContact CG-CE2 4.3Å; R1495-F1502 HydrophobicContact CG-CG 3.78Å; R1495-F1502 HydrophobicContact CG-CZ 4.29Å |
| 1496 | D | 81.5 | Confident | 83.2 | Confident | 122 Ų | 122 | 45.8 Ų | 45.8 | 65% | 0.652 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -85.7 | -35 | -174.2 | -76.1 | 8.6 | 0 | 0 | 0 | 110.9 | D1493 | D1493-D1496 HydrophobicContact CB-CB 3.89Å; D1493-D1496 PolarHBondContact O-N 2.92Å |
| 1497 | M | 82.8 | Confident | 83.6 | Confident | 58 Ų | 58 | 51 Ų | 51 | 29% | 0.286 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73.6 | -35.9 | 172.1 | -167.4 | 173.5 | -59 | 0 | 0 | 112.8 | F1438 P1489 P1490 D1493 | F1438-M1497 HydrophobicContact CD1-CG 4.37Å; F1438-M1497 HydrophobicContact CD1-SD 4.49Å; F1438-M1497 HydrophobicContact CE1-CG 4.01Å; P1489-M1497 HydrophobicContact CB-CB 4.44Å; P1489-M1497 HydrophobicContact CB-CE 4.24Å; P1489-M1497 HydrophobicContact CB-SD 3.83Å; P1489-M1497 HydrophobicContact CG-SD 4.32Å; P1490-M1497 HydrophobicContact CG-CE 4.08Å; D1493-M1497 PolarHBondContact O-N 2.91Å |
| 1498 | M | 89.2 | Confident | 84.5 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | trans | -136.7 | 56.9 | -172.8 | -55.5 | -158.1 | -59.8 | 0 | 0 | 113.7 | F1434 F1438 W1488 P1489 F1494 T1500 R1501 F1502 M1540 | F1434-M1498 HydrophobicContact CD1-SD 4.09Å; F1434-M1498 HydrophobicContact CE1-CE 4.11Å; F1434-M1498 HydrophobicContact CE1-SD 3.68Å; F1438-M1498 HydrophobicContact CD2-SD 4.49Å; F1438-M1498 HydrophobicContact CE1-CG 4.31Å; F1438-M1498 HydrophobicContact CE2-CG 4.2Å; F1438-M1498 HydrophobicContact CE2-SD 3.72Å; F1438-M1498 HydrophobicContact CZ-CG 3.71Å; F1438-M1498 HydrophobicContact CZ-SD 3.88Å; W1488-M1498 HydrophobicContact CH2-SD 4.43Å; P1489-M1498 HydrophobicContact CG-CE 3.73Å; P1489-M1498 HydrophobicContact CG-SD 4.47Å; F1494-M1498 HydrophobicContact CD2-CE 3.81Å; F1494-M1498 HydrophobicContact CE1-CE 4.26Å; F1494-M1498 HydrophobicContact CE2-CE 3.25Å; F1494-M1498 HydrophobicContact CG-CE 4.49Å; F1494-M1498 HydrophobicContact CZ-CE 3.53Å; F1494-M1498 WeakPolarHBondContact O-CA 3.13Å; F1494-M1498 PolarHBondContact O-N 2.81Å; M1498-T1500 VanDerWaalsContact C-N 3.32Å; M1498-T1500 PolarHBondContact O-N 2.91Å; M1498-R1501 HydrophobicContact CB-CB 4.09Å; M1498-R1501 WeakPolarHBondContact O-CB 3.32Å; M1498-R1501 PolarHBondContact O-N 2.81Å; M1498-F1502 PolarHBondContact O-N 3.28Å; M1498-M1540 HydrophobicContact CE-CE 3.84Å; M1498-M1540 HydrophobicContact CE-SD 4.03Å | ||
| 1499 | P | 90.8 | Very high | 85.1 | Confident | 60 Ų | 60 | 51 Ų | 51 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.9 | -40.4 | -171.9 | 19.7 | -32.1 | 0 | 0 | 0 | 113.5 | R1495 R1501 F1502 E1503 | R1495-P1499 WeakPolarHBondContact O-CA 3.17Å; R1495-P1499 VanDerWaalsContact O-CB 3.25Å; R1495-P1499 WeakPolarHBondContact O-CB 3.46Å; R1495-P1499 VanDerWaalsContact O-CD 3.25Å; R1495-P1499 WeakPolarHBondContact O-CD 3.3Å; R1495-P1499 VanDerWaalsContact O-N 3.08Å; P1499-R1501 VanDerWaalsContact C-N 3.28Å; P1499-R1501 PolarHBondContact O-N 2.82Å; P1499-F1502 WeakPolarHBondContact O-CB 3.23Å; P1499-F1502 PolarHBondContact O-N 3.42Å; P1499-E1503 PolarHBondContact O-N 3.11Å |
| 1500 | T | 94 | Very high | 85.7 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.9 | -27.8 | 179.5 | -32.3 | 0 | 0 | 0 | 0 | 113 | L1428 M1498 D1504 | L1428-T1500 HydrophobicContact CD1-CG2 3.97Å; L1428-T1500 HydrophobicContact CD2-CG2 4.49Å; M1498-T1500 VanDerWaalsContact C-N 3.32Å; M1498-T1500 PolarHBondContact O-N 2.91Å; T1500-D1504 WeakPolarHBondContact O-CB 3.25Å; T1500-D1504 PolarHBondContact O-N 3.41Å |
| 1501 | R | 95.4 | Very high | 86.9 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.1 | -39.3 | 173 | -80.1 | 72.7 | 174.5 | -168.9 | 2.1 | 110.8 | L1428 W1429 E1437 F1494 M1498 P1499 D1504 L1505 | L1428-R1501 HydrophobicContact CB-CG 4.25Å; L1428-R1501 PolarHBondContact O-NE 3.24Å; L1428-R1501 PolarHBondContact O-NH2 3.17Å; W1429-R1501 HydrophobicContact CE3-CG 4.24Å; W1429-R1501 HydrophobicContact CH2-CB 3.63Å; W1429-R1501 HydrophobicContact CH2-CG 3.95Å; W1429-R1501 HydrophobicContact CZ2-CB 3.99Å; W1429-R1501 HydrophobicContact CZ2-CG 4.19Å; W1429-R1501 WeakPolarHBondContact CZ2-O 3.31Å; W1429-R1501 HydrophobicContact CZ3-CB 4.04Å; W1429-R1501 HydrophobicContact CZ3-CG 3.95Å; E1437-R1501 IonicContact OE1-CZ 3.61Å; E1437-R1501 IonicContact OE1-NH1 3.25Å; E1437-R1501 PolarHBondContact OE1-NH1 3.09Å; E1437-R1501 IonicContact OE1-NH2 2.7Å; E1437-R1501 PolarHBondContact OE1-NH2 2.76Å; E1437-R1501 IonicContact OE2-CZ 3.97Å; E1437-R1501 IonicContact OE2-NH1 3.8Å; E1437-R1501 PolarHBondContact OE2-NH1 2.77Å; E1437-R1501 IonicContact OE2-NH2 2.71Å; F1494-R1501 HydrophobicContact CE1-CB 4.02Å; F1494-R1501 HydrophobicContact CZ-CB 4.08Å; M1498-R1501 HydrophobicContact CB-CB 4.09Å; M1498-R1501 WeakPolarHBondContact O-CB 3.32Å; M1498-R1501 PolarHBondContact O-N 2.81Å; P1499-R1501 VanDerWaalsContact C-N 3.28Å; P1499-R1501 PolarHBondContact O-N 2.82Å; R1501-D1504 PolarHBondContact O-N 2.9Å; R1501-L1505 WeakPolarHBondContact O-CB 3.41Å; R1501-L1505 PolarHBondContact O-N 2.76Å |
| 1502 | F | 92.8 | Very high | 88.5 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 9% | 0.088 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.3 | -49.8 | 174.8 | 179.5 | -87 | 0 | 0 | 0 | 111 | F1494 R1495 M1498 P1499 D1504 L1505 M1506 P1538 | F1494-F1502 HydrophobicContact CD1-CB 4.06Å; F1494-F1502 HydrophobicContact CD1-CD2 4.23Å; F1494-F1502 HydrophobicContact CE1-CB 4.14Å; R1495-F1502 HydrophobicContact CB-CB 4.35Å; R1495-F1502 HydrophobicContact CB-CD1 4.32Å; R1495-F1502 HydrophobicContact CB-CD2 3.69Å; R1495-F1502 HydrophobicContact CB-CE2 4.01Å; R1495-F1502 HydrophobicContact CB-CG 3.86Å; R1495-F1502 HydrophobicContact CB-CZ 4.46Å; R1495-F1502 HydrophobicContact CG-CB 4.32Å; R1495-F1502 HydrophobicContact CG-CD1 3.76Å; R1495-F1502 HydrophobicContact CG-CD2 4.05Å; R1495-F1502 HydrophobicContact CG-CE1 4.03Å; R1495-F1502 HydrophobicContact CG-CE2 4.3Å; R1495-F1502 HydrophobicContact CG-CG 3.78Å; R1495-F1502 HydrophobicContact CG-CZ 4.29Å; M1498-F1502 PolarHBondContact O-N 3.28Å; P1499-F1502 WeakPolarHBondContact O-CB 3.23Å; P1499-F1502 PolarHBondContact O-N 3.42Å; F1502-D1504 VanDerWaalsContact C-N 3.34Å; F1502-D1504 PolarHBondContact O-N 3.48Å; F1502-L1505 PolarHBondContact O-N 3.44Å; F1502-M1506 HydrophobicContact CD1-CG 4.09Å; F1502-M1506 HydrophobicContact CD2-CG 4.16Å; F1502-M1506 HydrophobicContact CE1-CG 3.86Å; F1502-M1506 HydrophobicContact CE2-CG 3.93Å; F1502-M1506 HydrophobicContact CG-CG 4.24Å; F1502-M1506 HydrophobicContact CZ-CG 3.77Å; F1502-M1506 VanDerWaalsContact O-CB 3.32Å; F1502-M1506 WeakPolarHBondContact O-CB 3.32Å; F1502-M1506 WeakPolarHBondContact O-CG 3.39Å; F1502-M1506 PolarHBondContact O-N 3.3Å; F1502-P1538 HydrophobicContact CD2-CG 3.7Å; F1502-P1538 HydrophobicContact CE2-CG 4.01Å |
| 1503 | E | 93.7 | Very high | 90.4 | Very high | 84 Ų | 84 | 44 Ų | 44 | 39% | 0.393 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63 | -38.7 | 176.7 | -70.8 | -179.8 | -175.1 | 0 | 0 | 112.5 | S766 P1499 E1507 | S766-E1503 VanDerWaalsContact CB-OE2 3.23Å; S766-E1503 WeakPolarHBondContact CB-OE2 3.29Å; S766-E1503 PolarHBondContact OG-OE1 3.49Å; S766-E1503 PolarHBondContact OG-OE2 2.8Å; P1499-E1503 PolarHBondContact O-N 3.11Å; E1503-E1507 PolarHBondContact O-N 2.92Å |
| 1504 | D | 96.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 178 | -164.3 | 62.5 | 0 | 0 | 0 | 113.1 | L1424 K1425 L1428 W1429 T1500 R1501 F1502 N1508 | L1424-D1504 WeakPolarHBondContact CA-OD2 3.14Å; L1424-D1504 WeakPolarHBondContact CB-OD2 3.49Å; L1424-D1504 VanDerWaalsContact CD2-O 3.27Å; L1424-D1504 WeakPolarHBondContact CD2-O 3.39Å; L1424-D1504 WeakPolarHBondContact CD2-OD2 3.3Å; K1425-D1504 VanDerWaalsContact CG-OD1 3.3Å; K1425-D1504 WeakPolarHBondContact CG-OD1 3.46Å; K1425-D1504 PolarHBondContact N-OD1 3.2Å; K1425-D1504 PolarHBondContact N-OD2 3.32Å; K1425-D1504 IonicContact NZ-OD1 3.48Å; K1425-D1504 PolarHBondContact NZ-OD1 3.08Å; L1428-D1504 HydrophobicContact CD1-CB 4.12Å; W1429-D1504 HydrophobicContact CZ2-CB 4.38Å; W1429-D1504 PolarHBondContact NE1-OD2 2.67Å; T1500-D1504 WeakPolarHBondContact O-CB 3.25Å; T1500-D1504 PolarHBondContact O-N 3.41Å; R1501-D1504 PolarHBondContact O-N 2.9Å; F1502-D1504 VanDerWaalsContact C-N 3.34Å; F1502-D1504 PolarHBondContact O-N 3.48Å; D1504-N1508 WeakPolarHBondContact O-CB 3.49Å; D1504-N1508 PolarHBondContact O-ND2 3.2Å |
| 1505 | L | 95.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.8 | -55.2 | 175.5 | -179.1 | 67.1 | 0 | 0 | 0 | 111.1 | W1429 R1501 F1502 E1507 N1508 L1509 P1538 V1569 V1700 | W1429-L1505 HydrophobicContact CH2-CB 4.22Å; W1429-L1505 HydrophobicContact CZ2-CB 4.12Å; R1501-L1505 WeakPolarHBondContact O-CB 3.41Å; R1501-L1505 PolarHBondContact O-N 2.76Å; F1502-L1505 PolarHBondContact O-N 3.44Å; L1505-E1507 VanDerWaalsContact C-N 3.29Å; L1505-E1507 PolarHBondContact O-N 2.82Å; L1505-N1508 CarbonylContact O-C 3.48Å; L1505-N1508 PolarHBondContact O-N 3.45Å; L1505-L1509 HydrophobicContact CD1-CD2 3.9Å; L1505-L1509 HydrophobicContact CG-CD2 4.09Å; L1505-L1509 HydrophobicContact CG-CG 4.37Å; L1505-L1509 PolarHBondContact O-N 2.86Å; L1505-P1538 HydrophobicContact CD2-CB 3.74Å; L1505-P1538 HydrophobicContact CD2-CG 4.23Å; L1505-V1569 HydrophobicContact CD1-CG2 4.42Å; L1505-V1700 HydrophobicContact CD2-CB 3.99Å; L1505-V1700 HydrophobicContact CD2-CG1 3.6Å |
| 1506 | M | 93 | Very high | 93.6 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 6% | 0.064 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -27.9 | -168.1 | -66.8 | -55.4 | -70.7 | 0 | 0 | 113.4 | F1502 L1509 K1516 R1517 E1702 | F1502-M1506 HydrophobicContact CD1-CG 4.09Å; F1502-M1506 HydrophobicContact CD2-CG 4.16Å; F1502-M1506 HydrophobicContact CE1-CG 3.86Å; F1502-M1506 HydrophobicContact CE2-CG 3.93Å; F1502-M1506 HydrophobicContact CG-CG 4.24Å; F1502-M1506 HydrophobicContact CZ-CG 3.77Å; F1502-M1506 VanDerWaalsContact O-CB 3.32Å; F1502-M1506 WeakPolarHBondContact O-CB 3.32Å; F1502-M1506 WeakPolarHBondContact O-CG 3.39Å; F1502-M1506 PolarHBondContact O-N 3.3Å; M1506-L1509 HydrophobicContact CE-CD1 3.97Å; M1506-L1509 HydrophobicContact SD-CD1 3.62Å; M1506-K1516 WeakPolarHBondContact O-CE 3.17Å; M1506-R1517 HydrophobicContact CE-CG 3.91Å; M1506-E1702 HydrophobicContact CE-CG 4.34Å; M1506-E1702 VanDerWaalsContact CE-OE1 3.27Å; M1506-E1702 WeakPolarHBondContact CE-OE1 3.45Å; M1506-E1702 HydrophobicContact SD-CG 4.45Å |
| 1507 | E | 95.1 | Very high | 93.8 | Very high | 130 Ų | 130 | 34.6 Ų | 34.6 | 61% | 0.607 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -78.2 | -20.1 | 172.2 | -75.3 | -50.5 | 118.1 | 0 | 0 | 114.3 | E1503 L1505 K1516 | E1503-E1507 PolarHBondContact O-N 2.92Å; L1505-E1507 VanDerWaalsContact C-N 3.29Å; L1505-E1507 PolarHBondContact O-N 2.82Å; E1507-K1516 IonicContact OE1-NZ 2.76Å; E1507-K1516 PolarHBondContact OE1-NZ 3.48Å; E1507-K1516 IonicContact OE2-NZ 3.85Å; E1507-K1516 PolarHBondContact OE2-NZ 3.09Å |
| 1508 | N | 97.2 | Very high | 94.1 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 24% | 0.235 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -109.9 | 2.3 | -174.9 | -68.3 | -59 | 0 | 0 | 0 | 114.4 | K1423 L1424 D1504 L1505 | K1423-N1508 HydrophobicContact CB-CB 4Å; K1423-N1508 WeakPolarHBondContact CB-OD1 3.29Å; K1423-N1508 PolarHBondContact O-ND2 2.93Å; L1424-N1508 HydrophobicContact CD2-CB 3.82Å; D1504-N1508 WeakPolarHBondContact O-CB 3.49Å; D1504-N1508 PolarHBondContact O-ND2 3.2Å; L1505-N1508 CarbonylContact O-C 3.48Å; L1505-N1508 PolarHBondContact O-N 3.45Å |
| 1509 | L | 96.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | trans | -56.7 | 127.9 | 175 | -77.6 | 178.8 | 0 | 0 | 0 | 111.3 | L1505 M1506 V1567 V1569 E1702 | L1505-L1509 HydrophobicContact CD1-CD2 3.9Å; L1505-L1509 HydrophobicContact CG-CD2 4.09Å; L1505-L1509 HydrophobicContact CG-CG 4.37Å; L1505-L1509 PolarHBondContact O-N 2.86Å; M1506-L1509 HydrophobicContact CE-CD1 3.97Å; M1506-L1509 HydrophobicContact SD-CD1 3.62Å; L1509-V1567 HydrophobicContact CD2-CG1 4.29Å; L1509-V1569 HydrophobicContact CD2-CG2 4.24Å; L1509-E1702 HydrophobicContact CD1-CB 4.08Å; L1509-E1702 HydrophobicContact CD1-CG 4.11Å | ||
| 1510 | P | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -67.9 | 156.8 | 175.1 | 27.9 | -33.2 | 0 | 0 | 0 | 111.4 | P1396 V1417 V1420 T1515 A1680 F1682 | P1396-P1510 HydrophobicContact CB-CB 4.14Å; V1417-P1510 HydrophobicContact CB-CB 4.09Å; V1417-P1510 HydrophobicContact CB-CG 4.26Å; V1417-P1510 HydrophobicContact CG1-CB 3.76Å; V1417-P1510 HydrophobicContact CG1-CG 4.38Å; V1417-P1510 HydrophobicContact CG2-CB 4.28Å; V1420-P1510 HydrophobicContact CG2-CG 4.01Å; P1510-T1515 WeakPolarHBondContact O-CG2 3.45Å; P1510-T1515 PolarHBondContact O-OG1 2.91Å; P1510-A1680 HydrophobicContact CG-CB 3.76Å; P1510-F1682 HydrophobicContact CB-CE2 4.46Å; P1510-F1682 HydrophobicContact CB-CZ 4.38Å; P1510-F1682 HydrophobicContact CG-CE2 3.89Å; P1510-F1682 HydrophobicContact CG-CZ 3.96Å |
| 1511 | L | 97.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 49.7 | 51.5 | -176.4 | -68.7 | 162.3 | 0 | 0 | 0 | 113.1 | N1401 W1402 F1405 V1417 E1513 Y1514 T1515 F1682 | N1401-L1511 HydrophobicContact CB-CD2 3.76Å; W1402-L1511 HydrophobicContact CB-CD2 4.06Å; F1405-L1511 HydrophobicContact CB-CD1 4.03Å; F1405-L1511 HydrophobicContact CB-CD2 4.17Å; F1405-L1511 HydrophobicContact CD1-CD1 3.95Å; F1405-L1511 HydrophobicContact CD1-CD2 4.29Å; F1405-L1511 HydrophobicContact CD2-CD1 3.31Å; F1405-L1511 HydrophobicContact CE1-CD1 4.22Å; F1405-L1511 HydrophobicContact CE2-CD1 3.63Å; F1405-L1511 HydrophobicContact CG-CD1 3.48Å; F1405-L1511 VanDerWaalsContact CG-CD1 3.48Å; F1405-L1511 HydrophobicContact CG-CD2 4.19Å; F1405-L1511 HydrophobicContact CZ-CD1 4.08Å; V1417-L1511 HydrophobicContact CG2-CD1 4.44Å; L1511-E1513 PolarHBondContact O-N 3Å; L1511-Y1514 HydrophobicContact CB-CD2 4.42Å; L1511-Y1514 PolarHBondContact O-N 2.83Å; L1511-T1515 PolarHBondContact O-N 3.42Å; L1511-T1515 PolarHBondContact O-OG1 3.29Å; L1511-F1682 HydrophobicContact CB-CE1 4.18Å; L1511-F1682 HydrophobicContact CB-CZ 4.01Å; L1511-F1682 HydrophobicContact CD1-CD1 4.48Å; L1511-F1682 HydrophobicContact CD1-CE1 3.85Å; L1511-F1682 HydrophobicContact CD1-CE2 4.21Å; L1511-F1682 HydrophobicContact CD1-CZ 3.71Å; L1511-F1682 HydrophobicContact CG-CZ 4.31Å |
| 1512 | P | 95.7 | Very high | 94.4 | Very high | 59 Ų | 59 | 36.2 Ų | 36.2 | 38% | 0.383 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.9 | -17.1 | -169.8 | 25.6 | -36.7 | 0 | 0 | 0 | 114.6 | Y1514 T1515 K1516 | P1512-Y1514 PolarHBondContact O-N 2.86Å; P1512-T1515 WeakPolarHBondContact CA-OG1 3.5Å; P1512-K1516 HydrophobicContact CB-CD 4.18Å; P1512-K1516 HydrophobicContact CB-CG 3.82Å; P1512-K1516 PolarHBondContact O-N 2.83Å |
| 1513 | E | 94.6 | Very high | 94.4 | Very high | 52 Ų | 52 | 35.2 Ų | 35.2 | 24% | 0.243 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.3 | -25 | 173.6 | -61.8 | -172 | 121.3 | 0 | 0 | 113.3 | L1511 G1519 R1520 L1521 N1522 | L1511-E1513 PolarHBondContact O-N 3Å; E1513-G1519 CarbonylContact O-C 3.5Å; E1513-G1519 VanDerWaalsContact O-C 3.23Å; E1513-G1519 WeakPolarHBondContact O-CA 3.29Å; E1513-R1520 HydrophobicContact CB-CG 3.72Å; E1513-R1520 HydrophobicContact CG-CG 4.02Å; E1513-R1520 PolarHBondContact O-N 2.73Å; E1513-R1520 WeakPolarHBondContact OE1-CD 3.37Å; E1513-R1520 IonicContact OE1-CZ 3.15Å; E1513-R1520 IonicContact OE1-NE 3.82Å; E1513-R1520 PolarHBondContact OE1-NE 2.88Å; E1513-R1520 IonicContact OE1-NH2 3.66Å; E1513-R1520 PolarHBondContact OE1-NH2 2.84Å; E1513-L1521 WeakPolarHBondContact O-CA 3.34Å; E1513-L1521 WeakPolarHBondContact O-CB 3.45Å; E1513-L1521 PolarHBondContact O-N 2.8Å; E1513-N1522 PolarHBondContact O-N 2.89Å |
| 1514 | Y | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -105.5 | -34.9 | 174.5 | -61.9 | -98.5 | 0 | 0 | 0 | 112.6 | W1402 F1405 L1511 P1512 L1521 N1522 F1704 | W1402-Y1514 HydrophobicContact CB-CE2 4.11Å; F1405-Y1514 HydrophobicContact CD1-CD2 4.36Å; F1405-Y1514 AromaticContact CD1-CE2 3.87Å; F1405-Y1514 HydrophobicContact CD1-CE2 3.87Å; F1405-Y1514 HydrophobicContact CE1-CD1 4.18Å; F1405-Y1514 AromaticContact CE1-CD2 3.95Å; F1405-Y1514 HydrophobicContact CE1-CD2 3.95Å; F1405-Y1514 HydrophobicContact CE1-CE1 4.01Å; F1405-Y1514 AromaticContact CE1-CE2 3.78Å; F1405-Y1514 HydrophobicContact CE1-CE2 3.78Å; F1405-Y1514 HydrophobicContact CE1-CG 4.15Å; F1405-Y1514 AromaticContact CE1-CZ 3.8Å; L1511-Y1514 HydrophobicContact CB-CD2 4.42Å; L1511-Y1514 PolarHBondContact O-N 2.83Å; P1512-Y1514 PolarHBondContact O-N 2.86Å; Y1514-L1521 HydrophobicContact CD1-CB 3.92Å; Y1514-L1521 HydrophobicContact CD1-CD1 4.43Å; Y1514-L1521 HydrophobicContact CD2-CD1 4.42Å; Y1514-L1521 HydrophobicContact CE1-CB 4.03Å; Y1514-L1521 HydrophobicContact CE1-CD1 3.85Å; Y1514-L1521 HydrophobicContact CE2-CD1 3.83Å; Y1514-L1521 HydrophobicContact CG-CB 4.3Å; Y1514-N1522 VanDerWaalsContact O-CB 3.25Å; Y1514-N1522 WeakPolarHBondContact O-CB 3.38Å; Y1514-F1704 VanDerWaalsContact O-CB 3.3Å; Y1514-F1704 WeakPolarHBondContact O-CB 3.43Å; Y1514-F1704 WeakPolarHBondContact O-CD2 3.36Å; Y1514-F1704 WeakPolarHBondContact O-CG 3.11Å |
| 1515 | T | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -94.3 | -33.6 | -166.6 | 53 | 0 | 0 | 0 | 0 | 114.8 | P1510 L1511 P1512 V1567 F1682 F1704 | P1510-T1515 WeakPolarHBondContact O-CG2 3.45Å; P1510-T1515 PolarHBondContact O-OG1 2.91Å; L1511-T1515 PolarHBondContact O-N 3.42Å; L1511-T1515 PolarHBondContact O-OG1 3.29Å; P1512-T1515 WeakPolarHBondContact CA-OG1 3.5Å; T1515-V1567 HydrophobicContact CG2-CB 4.28Å; T1515-V1567 HydrophobicContact CG2-CG1 3.72Å; T1515-F1682 HydrophobicContact CG2-CE1 3.51Å; T1515-F1682 HydrophobicContact CG2-CZ 3.88Å; T1515-F1704 HydrophobicContact CG2-CD1 4.19Å; T1515-F1704 HydrophobicContact CG2-CE1 4.03Å |
| 1516 | K | 92.1 | Very high | 93.4 | Very high | 34 Ų | 34 | 33.1 Ų | 33.1 | 15% | 0.148 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -67.8 | 150.9 | 176.9 | -68.6 | -160.4 | -176.8 | -160.8 | 0 | 111.3 | M1506 E1507 P1512 D1518 G1519 N1522 | M1506-K1516 WeakPolarHBondContact O-CE 3.17Å; E1507-K1516 IonicContact OE1-NZ 2.76Å; E1507-K1516 PolarHBondContact OE1-NZ 3.48Å; E1507-K1516 IonicContact OE2-NZ 3.85Å; E1507-K1516 PolarHBondContact OE2-NZ 3.09Å; P1512-K1516 HydrophobicContact CB-CD 4.18Å; P1512-K1516 HydrophobicContact CB-CG 3.82Å; P1512-K1516 PolarHBondContact O-N 2.83Å; K1516-D1518 VanDerWaalsContact CB-OD1 3.24Å; K1516-D1518 WeakPolarHBondContact CB-OD1 3.48Å; K1516-D1518 PolarHBondContact O-N 3.28Å; K1516-D1518 VanDerWaalsContact O-N 3.15Å; K1516-G1519 PolarHBondContact O-N 3.13Å; K1516-N1522 WeakPolarHBondContact O-CB 3.31Å; K1516-N1522 PolarHBondContact O-ND2 3.06Å |
| 1517 | R | 87.4 | Confident | 93 | Very high | 86 Ų | 86 | 32.6 Ų | 32.6 | 33% | 0.325 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.3 | 175.6 | -68.1 | 176.6 | 171.2 | -162.1 | -5.9 | 114.3 | M1506 S1525 G1537 E1702 | M1506-R1517 HydrophobicContact CE-CG 3.91Å; R1517-S1525 WeakPolarHBondContact O-CB 3.49Å; R1517-G1537 PolarHBondContact NH2-O 3.31Å; R1517-E1702 VanDerWaalsContact CG-OE1 3.25Å; R1517-E1702 WeakPolarHBondContact CG-OE1 3.47Å; R1517-E1702 IonicContact NE-OE1 4Å; R1517-E1702 PolarHBondContact NE-OE1 3.38Å |
| 1518 | D | 88.8 | Confident | 92.5 | Very high | 123 Ų | 123 | 27.9 Ų | 27.9 | 66% | 0.658 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 5.1 | 173.7 | 70.5 | -36 | 0 | 0 | 0 | 113.4 | K1516 R1520 | K1516-D1518 VanDerWaalsContact CB-OD1 3.24Å; K1516-D1518 WeakPolarHBondContact CB-OD1 3.48Å; K1516-D1518 PolarHBondContact O-N 3.28Å; K1516-D1518 VanDerWaalsContact O-N 3.15Å; D1518-R1520 PolarHBondContact O-N 3.43Å |
| 1519 | G | 91.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | trans | -56.1 | 130.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1513 K1516 L1521 N1522 | E1513-G1519 CarbonylContact O-C 3.5Å; E1513-G1519 VanDerWaalsContact O-C 3.23Å; E1513-G1519 WeakPolarHBondContact O-CA 3.29Å; K1516-G1519 PolarHBondContact O-N 3.13Å; G1519-L1521 PolarHBondContact O-N 3.18Å; G1519-N1522 WeakPolarHBondContact O-CB 3.37Å; G1519-N1522 PolarHBondContact O-N 3.42Å | ||
| 1520 | R | 93 | Very high | 90.7 | Very high | 79 Ų | 79 | 32.9 Ų | 32.9 | 30% | 0.298 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -31.1 | -175.4 | 56.7 | 153 | 85.5 | -129.1 | 4.8 | 114.6 | G981 D983 T986 E1513 D1518 R1526 | G981-R1520 WeakPolarHBondContact O-CB 3.48Å; D983-R1520 IonicContact OD1-NH1 3.65Å; D983-R1520 IonicContact OD2-CZ 2.75Å; D983-R1520 IonicContact OD2-NH1 3.83Å; D983-R1520 PolarHBondContact OD2-NH1 3.25Å; D983-R1520 IonicContact OD2-NH2 3.88Å; T986-R1520 HydrophobicContact CG2-CB 4.47Å; T986-R1520 PolarHBondContact OG1-NH1 2.93Å; E1513-R1520 HydrophobicContact CB-CG 3.72Å; E1513-R1520 HydrophobicContact CG-CG 4.02Å; E1513-R1520 PolarHBondContact O-N 2.73Å; E1513-R1520 WeakPolarHBondContact OE1-CD 3.37Å; E1513-R1520 IonicContact OE1-CZ 3.15Å; E1513-R1520 IonicContact OE1-NE 3.82Å; E1513-R1520 PolarHBondContact OE1-NE 2.88Å; E1513-R1520 IonicContact OE1-NH2 3.66Å; E1513-R1520 PolarHBondContact OE1-NH2 2.84Å; D1518-R1520 PolarHBondContact O-N 3.43Å; R1520-R1526 PolarHBondContact O-NH2 3.43Å |
| 1521 | L | 95 | Very high | 89.8 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -5.5 | -179.9 | -65.5 | 164.9 | 0 | 0 | 0 | 112.2 | T986 Y989 E1513 Y1514 G1519 L1523 P1707 | T986-L1521 HydrophobicContact CG2-CD2 3.83Å; T986-L1521 HydrophobicContact CG2-CG 4.39Å; Y989-L1521 HydrophobicContact CD1-CD2 3.97Å; E1513-L1521 WeakPolarHBondContact O-CA 3.34Å; E1513-L1521 WeakPolarHBondContact O-CB 3.45Å; E1513-L1521 PolarHBondContact O-N 2.8Å; Y1514-L1521 HydrophobicContact CD1-CB 3.92Å; Y1514-L1521 HydrophobicContact CD1-CD1 4.43Å; Y1514-L1521 HydrophobicContact CD2-CD1 4.42Å; Y1514-L1521 HydrophobicContact CE1-CB 4.03Å; Y1514-L1521 HydrophobicContact CE1-CD1 3.85Å; Y1514-L1521 HydrophobicContact CE2-CD1 3.83Å; Y1514-L1521 HydrophobicContact CG-CB 4.3Å; G1519-L1521 PolarHBondContact O-N 3.18Å; L1521-L1523 PolarHBondContact O-N 3.49Å; L1521-L1523 VanDerWaalsContact O-N 3.15Å; L1521-P1707 HydrophobicContact CD2-CG 4.03Å; L1521-P1707 VanDerWaalsContact O-CD 3.31Å; L1521-P1707 WeakPolarHBondContact O-CD 3.48Å |
| 1522 | N | 94.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -72.2 | 104.3 | 165.7 | -167.3 | -16 | 0 | 0 | 0 | 108.6 | E1513 Y1514 K1516 G1519 A1524 S1525 V1705 | E1513-N1522 PolarHBondContact O-N 2.89Å; Y1514-N1522 VanDerWaalsContact O-CB 3.25Å; Y1514-N1522 WeakPolarHBondContact O-CB 3.38Å; K1516-N1522 WeakPolarHBondContact O-CB 3.31Å; K1516-N1522 PolarHBondContact O-ND2 3.06Å; G1519-N1522 WeakPolarHBondContact O-CB 3.37Å; G1519-N1522 PolarHBondContact O-N 3.42Å; N1522-A1524 PolarHBondContact O-N 3.06Å; N1522-A1524 PolarHBondContact OD1-N 3.33Å; N1522-S1525 VanDerWaalsContact O-CB 3.31Å; N1522-S1525 WeakPolarHBondContact O-CB 3.45Å; N1522-S1525 PolarHBondContact O-N 3.11Å; N1522-S1525 PolarHBondContact O-OG 3.48Å; N1522-V1705 PolarHBondContact OD1-N 3.18Å | ||
| 1523 | L | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -67.3 | -24.1 | -174.5 | -63.7 | -172.7 | 0 | 0 | 0 | 113.2 | I990 V994 L1521 S1525 R1526 V1705 P1707 V1710 I1739 A1743 | I990-L1523 HydrophobicContact CD1-CD2 3.83Å; I990-L1523 HydrophobicContact CG1-CD2 4.13Å; V994-L1523 HydrophobicContact CG2-CD1 3.72Å; L1521-L1523 PolarHBondContact O-N 3.49Å; L1521-L1523 VanDerWaalsContact O-N 3.15Å; L1523-S1525 PolarHBondContact O-N 3.33Å; L1523-R1526 WeakPolarHBondContact O-CB 3.44Å; L1523-R1526 PolarHBondContact O-N 2.9Å; L1523-V1705 HydrophobicContact CB-CB 4.28Å; L1523-V1705 HydrophobicContact CB-CG1 4.17Å; L1523-V1705 WeakPolarHBondContact CB-O 3.36Å; L1523-V1705 WeakPolarHBondContact CG-O 3.21Å; L1523-V1705 PolarHBondContact N-O 3.34Å; L1523-P1707 HydrophobicContact CD1-CG 4.42Å; L1523-P1707 HydrophobicContact CD2-CG 4.07Å; L1523-P1707 HydrophobicContact CG-CG 4.23Å; L1523-V1710 HydrophobicContact CD1-CB 4.21Å; L1523-V1710 HydrophobicContact CD1-CG2 4.07Å; L1523-I1739 HydrophobicContact CB-CG2 3.53Å; L1523-A1743 HydrophobicContact CD2-CB 3.88Å |
| 1524 | A | 90.1 | Very high | 86.2 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -61.6 | -29.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1522 R1526 L1527 L1536 I1739 | N1522-A1524 PolarHBondContact O-N 3.06Å; N1522-A1524 PolarHBondContact OD1-N 3.33Å; A1524-R1526 PolarHBondContact O-N 3.2Å; A1524-R1526 VanDerWaalsContact O-N 3.11Å; A1524-L1527 PolarHBondContact O-N 2.83Å; A1524-L1536 HydrophobicContact CB-CD1 3.53Å; A1524-I1739 HydrophobicContact CB-CD1 4.35Å |
| 1525 | S | 86.2 | Confident | 85 | Confident | 21 Ų | 21 | 40.2 Ų | 40.2 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -55.7 | -27.9 | 174 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | R1517 N1522 L1523 L1527 | R1517-S1525 WeakPolarHBondContact O-CB 3.49Å; N1522-S1525 VanDerWaalsContact O-CB 3.31Å; N1522-S1525 WeakPolarHBondContact O-CB 3.45Å; N1522-S1525 PolarHBondContact O-N 3.11Å; N1522-S1525 PolarHBondContact O-OG 3.48Å; L1523-S1525 PolarHBondContact O-N 3.33Å; S1525-L1527 VanDerWaalsContact C-N 3.3Å; S1525-L1527 PolarHBondContact O-N 2.84Å |
| 1526 | R | 88.8 | Confident | 84.1 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -78.3 | -8.9 | -175.8 | -53.5 | -61.9 | 173.2 | -171.4 | -8.2 | 113.7 | E980 G981 R1520 L1523 A1524 P1528 H1742 A1743 | E980-R1526 PolarHBondContact O-NH1 2.88Å; G981-R1526 PolarHBondContact O-NH2 3.25Å; R1520-R1526 PolarHBondContact O-NH2 3.43Å; L1523-R1526 WeakPolarHBondContact O-CB 3.44Å; L1523-R1526 PolarHBondContact O-N 2.9Å; A1524-R1526 PolarHBondContact O-N 3.2Å; A1524-R1526 VanDerWaalsContact O-N 3.11Å; R1526-P1528 VanDerWaalsContact O-CD 3.27Å; R1526-P1528 WeakPolarHBondContact O-CD 3.37Å; R1526-H1742 VanDerWaalsContact O-CB 3.25Å; R1526-H1742 WeakPolarHBondContact O-CB 3.43Å; R1526-A1743 HydrophobicContact CB-CB 4.3Å; R1526-A1743 HydrophobicContact CG-CB 4.18Å |
| 1527 | L | 85.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -68.1 | 119.3 | 169.9 | -71.9 | 175.2 | 0 | 0 | 0 | 109.9 | A1524 S1525 R1533 P1534 N1738 I1739 | A1524-L1527 PolarHBondContact O-N 2.83Å; S1525-L1527 VanDerWaalsContact C-N 3.3Å; S1525-L1527 PolarHBondContact O-N 2.84Å; L1527-R1533 HydrophobicContact CB-CG 4.47Å; L1527-P1534 VanDerWaalsContact CD1-CD 3.42Å; L1527-P1534 HydrophobicContact CD1-CG 4.36Å; L1527-N1738 HydrophobicContact CD2-CB 3.62Å; L1527-I1739 HydrophobicContact CD1-CD1 4.31Å; L1527-I1739 HydrophobicContact CD1-CG1 3.73Å; L1527-I1739 HydrophobicContact CD2-CG1 4.03Å; L1527-I1739 HydrophobicContact CG-CG1 3.81Å |
| 1528 | P | 84.3 | Confident | 83.3 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 21% | 0.208 | 18% | 0.181 | C | C | . | . | trans | -60.6 | 143.8 | 175.8 | -21.2 | 32.2 | 0 | 0 | 0 | 110.9 | L971 R1526 Y1530 F1531 | L971-P1528 HydrophobicContact CD1-CB 4.02Å; L971-P1528 HydrophobicContact CD1-CG 4.12Å; R1526-P1528 VanDerWaalsContact O-CD 3.27Å; R1526-P1528 WeakPolarHBondContact O-CD 3.37Å; P1528-Y1530 PolarHBondContact O-N 2.81Å; P1528-F1531 HydrophobicContact CB-CD2 4.24Å; P1528-F1531 HydrophobicContact CG-CD2 4.23Å; P1528-F1531 HydrophobicContact CG-CE2 4.2Å; P1528-F1531 PolarHBondContact O-N 2.98Å | ||
| 1529 | S | 79.7 | Confident | 83.3 | Confident | 86 Ų | 86 | 30.9 Ų | 30.9 | 60% | 0.601 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | 16.8 | 174.3 | 56.6 | 0 | 0 | 0 | 0 | 115.2 | R1025 | R1025-S1529 PolarHBondContact NE-O 3.42Š|
| 1530 | Y | 76.6 | Confident | 83.3 | Confident | 69 Ų | 69 | 31.3 Ų | 31.3 | 27% | 0.271 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -35.1 | 163.2 | -159.4 | -88.2 | 0 | 0 | 0 | 111.4 | L971 A1023 R1025 G1026 P1528 | L971-Y1530 HydrophobicContact CD1-CG 4.36Å; L971-Y1530 HydrophobicContact CD2-CD1 3.71Å; L971-Y1530 HydrophobicContact CD2-CE1 4.2Å; L971-Y1530 HydrophobicContact CD2-CG 3.99Å; A1023-Y1530 HydrophobicContact CB-CE1 4.17Å; A1023-Y1530 WeakPolarHBondContact O-CE1 3.48Å; A1023-Y1530 PolarHBondContact O-OH 2.87Å; R1025-Y1530 WeakPolarHBondContact CA-O 3.17Å; R1025-Y1530 HydrophobicContact CB-CD1 4.4Å; R1025-Y1530 HydrophobicContact CB-CD2 4.09Å; R1025-Y1530 HydrophobicContact CB-CE1 4.13Å; R1025-Y1530 HydrophobicContact CB-CE2 3.8Å; R1025-Y1530 HydrophobicContact CB-CG 4.38Å; R1025-Y1530 HydrophobicContact CG-CD2 4.26Å; R1025-Y1530 HydrophobicContact CG-CE2 4.42Å; R1025-Y1530 HydrophobicContact CG-CG 4.48Å; G1026-Y1530 PolarHBondContact N-O 3.03Å; P1528-Y1530 PolarHBondContact O-N 2.81Å |
| 1531 | F | 77.4 | Confident | 83.4 | Confident | 27 Ų | 27 | 29.7 Ų | 29.7 | 12% | 0.118 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -88.9 | 153.8 | 175.7 | -59.1 | -92.3 | 0 | 0 | 0 | 110.2 | L971 W972 P1528 R1533 H1742 | L971-F1531 HydrophobicContact CD1-CE2 4.16Å; L971-F1531 HydrophobicContact CD2-CE2 3.98Å; L971-F1531 HydrophobicContact CD2-CZ 4.05Å; L971-F1531 HydrophobicContact CG-CE2 4.21Å; W972-F1531 AromaticContact CH2-CE1 3.88Å; W972-F1531 HydrophobicContact CH2-CE1 3.88Å; W972-F1531 AromaticContact CH2-CZ 3.55Å; W972-F1531 HydrophobicContact CH2-CZ 3.55Å; W972-F1531 HydrophobicContact CZ2-CE1 4.18Å; W972-F1531 AromaticContact CZ2-CZ 3.73Å; W972-F1531 HydrophobicContact CZ2-CZ 3.73Å; W972-F1531 HydrophobicContact CZ3-CZ 4.12Å; P1528-F1531 HydrophobicContact CB-CD2 4.24Å; P1528-F1531 HydrophobicContact CG-CD2 4.23Å; P1528-F1531 HydrophobicContact CG-CE2 4.2Å; P1528-F1531 PolarHBondContact O-N 2.98Å; F1531-R1533 PolarHBondContact O-N 3.15Å; F1531-H1742 AromaticContact CE2-CE1 3.95Å; F1531-H1742 AromaticContact CE2-NE2 3.41Å; F1531-H1742 WeakPolarHBondContact CE2-NE2 3.39Å; F1531-H1742 AromaticContact CZ-NE2 3.72Å |
| 1532 | V | 68.6 | Low | 83.5 | Confident | 60 Ų | 60 | 29.3 Ų | 29.3 | 36% | 0.364 | 15% | 0.149 | S | C | . | . | P | Polyproline II helix | trans | -62.6 | 127.7 | 162.3 | -172.3 | 0 | 0 | 0 | 0 | 107.1 | G1026 Q1735 | G1026-V1532 WeakPolarHBondContact O-CG2 3.46Å; V1532-Q1735 PolarHBondContact O-NE2 3.07Å |
| 1533 | R | 71.8 | Confident | 83.6 | Confident | 134 Ų | 134 | 29.5 Ų | 29.5 | 51% | 0.506 | 15% | 0.15 | S | C | . | . | P | Polyproline II helix | trans | -77.4 | 149.8 | 171.5 | -74.4 | 177.6 | 169.9 | 170.5 | -8.6 | 108.8 | L1527 F1531 | L1527-R1533 HydrophobicContact CB-CG 4.47Å; F1531-R1533 PolarHBondContact O-N 3.15Å |
| 1534 | P | 72.8 | Confident | 83.8 | Confident | 15 Ų | 15 | 29.5 Ų | 29.5 | 10% | 0.097 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -61 | 142.2 | 167.2 | 29.8 | -35.5 | 0 | 0 | 0 | 109.3 | L1527 L1536 K1733 L1734 | L1527-P1534 VanDerWaalsContact CD1-CD 3.42Å; L1527-P1534 HydrophobicContact CD1-CG 4.36Å; P1534-L1536 HydrophobicContact CB-CD2 4.46Å; P1534-L1536 HydrophobicContact CG-CD1 4.36Å; P1534-L1536 HydrophobicContact CG-CD2 4.36Å; P1534-L1536 HydrophobicContact CG-CG 4.21Å; P1534-K1733 WeakPolarHBondContact CB-O 3.46Å; P1534-L1734 HydrophobicContact CB-CD2 4.4Å |
| 1535 | D | 71.3 | Confident | 84.1 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 20% | 0.198 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 137.3 | 157.4 | 169 | 43.3 | 0 | 0 | 0 | 108.8 | G1537 K1539 | D1535-G1537 PolarHBondContact OD1-N 3.03Å; D1535-K1539 IonicContact OD1-NZ 2.67Å; D1535-K1539 WeakPolarHBondContact OD2-CE 3.38Å; D1535-K1539 IonicContact OD2-NZ 3.13Å; D1535-K1539 PolarHBondContact OD2-NZ 2.75Å |
| 1536 | L | 76.9 | Confident | 84.4 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | trans | -134.3 | 17 | -179.2 | -67.5 | 177.6 | 0 | 0 | 0 | 111.3 | A1524 P1534 D1703 L1734 | A1524-L1536 HydrophobicContact CB-CD1 3.53Å; P1534-L1536 HydrophobicContact CB-CD2 4.46Å; P1534-L1536 HydrophobicContact CG-CD1 4.36Å; P1534-L1536 HydrophobicContact CG-CD2 4.36Å; P1534-L1536 HydrophobicContact CG-CG 4.21Å; L1536-D1703 HydrophobicContact CB-CB 3.88Å; L1536-D1703 HydrophobicContact CD2-CB 3.67Å; L1536-D1703 HydrophobicContact CG-CB 4.34Å; L1536-D1703 WeakPolarHBondContact O-CB 3.28Å; L1536-D1703 PolarHBondContact O-N 3.34Å; L1536-L1734 HydrophobicContact CD2-CD2 3.84Å | ||
| 1537 | G | 74.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | trans | 78.5 | -164.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1517 D1535 | R1517-G1537 PolarHBondContact NH2-O 3.31Å; D1535-G1537 PolarHBondContact OD1-N 3.03Å | ||
| 1538 | P | 87.8 | Confident | 84.2 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | cis | -79.8 | 140.1 | 20.9 | 27.5 | -33.4 | 0 | 0 | 0 | 112.7 | F1494 F1502 L1505 V1700 A1701 E1702 | F1494-P1538 HydrophobicContact CB-CG 4.34Å; F1494-P1538 VanDerWaalsContact CB-O 3.3Å; F1494-P1538 WeakPolarHBondContact CB-O 3.4Å; F1494-P1538 HydrophobicContact CD1-CG 3.72Å; F1494-P1538 HydrophobicContact CE1-CG 4.15Å; F1494-P1538 HydrophobicContact CG-CG 4.05Å; F1502-P1538 HydrophobicContact CD2-CG 3.7Å; F1502-P1538 HydrophobicContact CE2-CG 4.01Å; L1505-P1538 HydrophobicContact CD2-CB 3.74Å; L1505-P1538 HydrophobicContact CD2-CG 4.23Å; P1538-V1700 HydrophobicContact CB-CG1 3.89Å; P1538-A1701 CarbonylContact C-O 3.48Å; P1538-A1701 WeakPolarHBondContact CA-O 3.36Å; P1538-E1702 VanDerWaalsContact CA-OE2 3.32Å; P1538-E1702 WeakPolarHBondContact CA-OE2 3.39Å; P1538-E1702 WeakPolarHBondContact CB-OE2 3.39Å; P1538-E1702 WeakPolarHBondContact CD-OE2 3.49Å | ||
| 1539 | K | 88.6 | Confident | 84.4 | Confident | 31 Ų | 31 | 32.4 Ų | 32.4 | 14% | 0.135 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 141.8 | 179.3 | -60.2 | -168.3 | 178 | 73.5 | 0 | 111 | F526 D1535 Y1541 V1700 A1701 D1703 | F526-K1539 HydrophobicContact CD1-CD 3.94Å; F526-K1539 HydrophobicContact CE1-CD 4.01Å; F526-K1539 HydrophobicContact CG-CD 4.34Å; F526-K1539 HydrophobicContact CZ-CD 4.44Å; D1535-K1539 IonicContact OD1-NZ 2.67Å; D1535-K1539 WeakPolarHBondContact OD2-CE 3.38Å; D1535-K1539 IonicContact OD2-NZ 3.13Å; D1535-K1539 PolarHBondContact OD2-NZ 2.75Å; K1539-Y1541 HydrophobicContact CB-CE2 4.11Å; K1539-Y1541 WeakPolarHBondContact O-CE2 3.49Å; K1539-V1700 CarbonylContact O-C 3.58Å; K1539-V1700 WeakPolarHBondContact O-CA 3.3Å; K1539-V1700 WeakPolarHBondContact O-CG1 3.29Å; K1539-A1701 PolarHBondContact N-O 3.01Å; K1539-A1701 PolarHBondContact O-N 2.91Å; K1539-D1703 IonicContact NZ-OD2 3.36Å |
| 1540 | M | 92.4 | Very high | 84.9 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140 | -173.9 | -160.5 | 161.5 | 75.3 | 0 | 0 | 112.1 | F1434 W1488 F1494 M1498 N1542 I1698 K1699 V1700 | F1434-M1540 HydrophobicContact CE1-CE 4.17Å; F1434-M1540 HydrophobicContact CZ-CE 4.31Å; F1434-M1540 HydrophobicContact CZ-SD 4.26Å; W1488-M1540 HydrophobicContact CE3-CE 3.56Å; W1488-M1540 HydrophobicContact CH2-CE 4.37Å; W1488-M1540 HydrophobicContact CZ3-CE 3.31Å; F1494-M1540 HydrophobicContact CD2-CB 4.42Å; F1494-M1540 HydrophobicContact CE2-CB 4.01Å; F1494-M1540 HydrophobicContact CE2-CG 4.49Å; F1494-M1540 HydrophobicContact CE2-SD 3.95Å; M1498-M1540 HydrophobicContact CE-CE 3.84Å; M1498-M1540 HydrophobicContact CE-SD 4.03Å; M1540-N1542 WeakPolarHBondContact CE-OD1 3.41Å; M1540-N1542 WeakPolarHBondContact CG-OD1 3.31Å; M1540-I1698 HydrophobicContact CG-CG2 4.37Å; M1540-I1698 HydrophobicContact SD-CG2 4.14Å; M1540-K1699 WeakPolarHBondContact CA-O 3.17Å; M1540-K1699 WeakPolarHBondContact CG-O 3.47Å; M1540-V1700 HydrophobicContact CG-CG2 4.16Å; M1540-V1700 HydrophobicContact SD-CG2 4.31Å |
| 1541 | Y | 93.9 | Very high | 85.6 | Confident | 46 Ų | 46 | 33 Ų | 33 | 18% | 0.18 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 103.6 | -174 | -55.9 | -85.7 | 0 | 0 | 0 | 109.5 | F527 K1539 K1699 A1701 | F527-Y1541 HydrophobicContact CD2-CE1 4.16Å; F527-Y1541 AromaticContact CE2-CE1 3.71Å; F527-Y1541 HydrophobicContact CE2-CE1 3.71Å; F527-Y1541 WeakPolarHBondContact CE2-OH 3.49Å; F527-Y1541 HydrophobicContact CZ-CE1 4.17Å; K1539-Y1541 HydrophobicContact CB-CE2 4.11Å; K1539-Y1541 WeakPolarHBondContact O-CE2 3.49Å; Y1541-K1699 PolarHBondContact N-O 3.41Å; Y1541-K1699 PolarHBondContact O-N 3.12Å; Y1541-A1701 HydrophobicContact CE2-CB 3.92Å |
| 1542 | N | 97.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120 | -174.2 | -38.6 | -76 | 0 | 0 | 0 | 108.9 | F1462 W1463 L1485 M1540 I1698 | F1462-N1542 HydrophobicContact CE1-CB 3.8Å; F1462-N1542 HydrophobicContact CZ-CB 3.91Å; W1463-N1542 HydrophobicContact CH2-CB 3.74Å; W1463-N1542 WeakPolarHBondContact CH2-OD1 3.47Å; W1463-N1542 HydrophobicContact CZ2-CB 4.1Å; L1485-N1542 HydrophobicContact CB-CB 4.15Å; L1485-N1542 HydrophobicContact CD2-CB 4.27Å; L1485-N1542 PolarHBondContact N-O 3.06Å; M1540-N1542 WeakPolarHBondContact CE-OD1 3.41Å; M1540-N1542 WeakPolarHBondContact CG-OD1 3.31Å; N1542-I1698 WeakPolarHBondContact OD1-CG2 3.25Å |
| 1543 | A | 97.9 | Very high | 87.6 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 156 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1483 K1484 T1556 N1693 S1696 C1697 | L1483-A1543 CarbonylContact O-C 3.56Å; L1483-A1543 VanDerWaalsContact O-CA 3.29Å; L1483-A1543 WeakPolarHBondContact O-CA 3.44Å; K1484-A1543 HydrophobicContact CB-CB 3.95Å; K1484-A1543 HydrophobicContact CG-CB 4.24Å; A1543-T1556 HydrophobicContact CB-CG2 3.43Å; A1543-T1556 VanDerWaalsContact CB-CG2 3.43Å; A1543-N1693 WeakPolarHBondContact CB-ND2 3.41Å; A1543-N1693 PolarHBondContact O-ND2 3.05Å; A1543-S1696 WeakPolarHBondContact O-CA 3.36Å; A1543-C1697 PolarHBondContact N-O 2.75Å; A1543-C1697 PolarHBondContact O-N 3.49Å |
| 1544 | Y | 97.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -70.4 | 166.4 | 174.5 | -61 | -11.8 | 0 | 0 | 0 | 112 | F1462 F1466 R1472 M1481 L1483 N1693 S1696 | F1462-Y1544 WeakPolarHBondContact CA-OH 3.26Å; F1462-Y1544 HydrophobicContact CD2-CD1 4.4Å; F1462-Y1544 AromaticContact CD2-CE1 3.66Å; F1462-Y1544 HydrophobicContact CD2-CE1 3.66Å; F1462-Y1544 AromaticContact CD2-CZ 3.93Å; F1462-Y1544 AromaticContact CE2-CD1 3.77Å; F1462-Y1544 HydrophobicContact CE2-CD1 3.77Å; F1462-Y1544 AromaticContact CE2-CE1 3.46Å; F1462-Y1544 HydrophobicContact CE2-CE1 3.46Å; F1462-Y1544 VanDerWaalsContact CE2-CE1 3.46Å; F1462-Y1544 HydrophobicContact CG-CE1 4.32Å; F1462-Y1544 HydrophobicContact CZ-CD1 4.15Å; F1462-Y1544 AromaticContact CZ-CE1 3.98Å; F1462-Y1544 HydrophobicContact CZ-CE1 3.98Å; F1462-Y1544 VanDerWaalsContact O-CE1 3.32Å; F1462-Y1544 WeakPolarHBondContact O-CE1 3.42Å; F1462-Y1544 PolarHBondContact O-OH 2.85Å; F1466-Y1544 HydrophobicContact CB-CE1 4.27Å; F1466-Y1544 AromaticContact CD2-CD1 3.94Å; F1466-Y1544 HydrophobicContact CD2-CD1 3.94Å; F1466-Y1544 HydrophobicContact CD2-CE1 4.03Å; R1472-Y1544 HydrophobicContact CB-CE2 4.19Å; R1472-Y1544 VanDerWaalsContact CD-CE2 3.44Å; R1472-Y1544 HydrophobicContact CG-CD2 4.24Å; R1472-Y1544 HydrophobicContact CG-CE2 3.55Å; M1481-Y1544 WeakPolarHBondContact O-CD2 3.3Å; L1483-Y1544 HydrophobicContact CB-CD2 3.97Å; L1483-Y1544 HydrophobicContact CB-CE2 3.76Å; L1483-Y1544 HydrophobicContact CD1-CE2 3.83Å; L1483-Y1544 HydrophobicContact CG-CD2 4.26Å; L1483-Y1544 HydrophobicContact CG-CE2 3.83Å; L1483-Y1544 VanDerWaalsContact N-CD2 3.34Å; L1483-Y1544 PolarHBondContact O-N 2.87Å; Y1544-N1693 VanDerWaalsContact O-CB 3.27Å; Y1544-N1693 WeakPolarHBondContact O-CB 3.2Å; Y1544-N1693 PolarHBondContact O-ND2 3.08Å; Y1544-S1696 WeakPolarHBondContact CA-OG 3.27Å | ||
| 1545 | G | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -72.2 | 146.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113 | I1547 Y1695 S1696 | G1545-I1547 WeakPolarHBondContact O-CG1 3.39Å; G1545-Y1695 VanDerWaalsContact CA-C 3.42Å; G1545-Y1695 WeakPolarHBondContact CA-O 3.35Å; G1545-S1696 PolarHBondContact N-OG 2.97Å | ||
| 1546 | L | 93.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | trans | -93.1 | 113.3 | 167.7 | -77.1 | 166.1 | 0 | 0 | 0 | 107.1 | C1448 V1482 D1551 V1554 T1556 H1692 N1693 | C1448-L1546 HydrophobicContact CB-CD2 4.47Å; V1482-L1546 HydrophobicContact CB-CD2 4.16Å; V1482-L1546 HydrophobicContact CG1-CD2 3.68Å; V1482-L1546 HydrophobicContact CG1-CG 3.99Å; V1482-L1546 HydrophobicContact CG2-CD2 4.26Å; L1546-D1551 HydrophobicContact CB-CB 3.87Å; L1546-D1551 HydrophobicContact CD2-CB 3.71Å; L1546-D1551 HydrophobicContact CG-CB 4.38Å; L1546-V1554 HydrophobicContact CD1-CB 4.28Å; L1546-V1554 HydrophobicContact CD1-CG1 4.21Å; L1546-V1554 WeakPolarHBondContact CD1-O 3.33Å; L1546-V1554 HydrophobicContact CD2-CB 4.09Å; L1546-V1554 HydrophobicContact CD2-CG1 3.93Å; L1546-T1556 WeakPolarHBondContact CD1-OG1 3.46Å; L1546-H1692 VanDerWaalsContact CB-CE1 3.44Å; L1546-H1692 WeakPolarHBondContact CB-CE1 3.46Å; L1546-H1692 WeakPolarHBondContact CD1-ND1 3.33Å; L1546-N1693 WeakPolarHBondContact CB-O 3.46Å; L1546-N1693 PolarHBondContact N-O 2.88Å | ||
| 1547 | I | 82.2 | Confident | 91.7 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 11% | 0.113 | 16% | 0.158 | C | C | . | . | trans | -139.6 | 26.9 | -161 | -25.8 | 179.7 | 0 | 0 | 0 | 113.1 | G1545 D1551 P1576 H1582 V1586 | G1545-I1547 WeakPolarHBondContact O-CG1 3.39Å; I1547-D1551 PolarHBondContact N-OD2 3.49Å; I1547-P1576 HydrophobicContact CD1-CG 3.72Å; I1547-H1582 HydrophobicContact CG2-CB 3.79Å; I1547-V1586 HydrophobicContact CG2-CG2 4.39Å | ||
| 1548 | T | 87.1 | Confident | 92.7 | Very high | 57 Ų | 57 | 33 Ų | 33 | 35% | 0.35 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -126.2 | 160 | 172.1 | 70.6 | 0 | 0 | 0 | 0 | 110.5 | E1550 D1551 R1552 | T1548-E1550 PolarHBondContact O-N 3.29Å; T1548-D1551 WeakPolarHBondContact CB-OD2 3.23Å; T1548-D1551 WeakPolarHBondContact CG2-OD2 3.49Å; T1548-D1551 PolarHBondContact N-OD2 2.91Å; T1548-D1551 WeakPolarHBondContact O-CB 3.3Å; T1548-D1551 PolarHBondContact O-N 3.16Å; T1548-D1551 VanDerWaalsContact O-N 3.08Å; T1548-D1551 WeakPolarHBondContact OG1-CB 3.32Å; T1548-D1551 PolarHBondContact OG1-N 2.9Å; T1548-D1551 PolarHBondContact OG1-OD2 2.95Å; T1548-R1552 PolarHBondContact O-N 3.4Å |
| 1549 | A | 89.2 | Confident | 93.1 | Very high | 59 Ų | 59 | 32.8 Ų | 32.8 | 49% | 0.488 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1552 E1585 | A1549-R1552 VanDerWaalsContact CB-NH2 3.33Å; A1549-E1585 VanDerWaalsContact CA-OE1 3.28Å; A1549-E1585 WeakPolarHBondContact CA-OE1 3.31Å; A1549-E1585 PolarHBondContact N-OE1 3.39Å |
| 1550 | E | 89.2 | Confident | 93.3 | Very high | 164 Ų | 164 | 31.6 Ų | 31.6 | 77% | 0.766 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -39.6 | 174.4 | -63.9 | 173.8 | -174.5 | 0 | 0 | 111.1 | T1548 R1552 R1553 | T1548-E1550 PolarHBondContact O-N 3.29Å; E1550-R1552 PolarHBondContact O-N 3.17Å; E1550-R1552 VanDerWaalsContact O-N 3.12Å; E1550-R1553 PolarHBondContact O-N 2.96Å |
| 1551 | D | 92.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.011 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -60.5 | -21 | 179.4 | -72 | -36.7 | 0 | 0 | 0 | 113.3 | R1449 L1546 I1547 T1548 R1553 V1554 H1692 | R1449-D1551 WeakPolarHBondContact CG-OD1 3.34Å; R1449-D1551 IonicContact CZ-OD1 3.38Å; R1449-D1551 IonicContact CZ-OD2 3Å; R1449-D1551 IonicContact NE-OD1 2.68Å; R1449-D1551 PolarHBondContact NE-OD1 3.04Å; R1449-D1551 IonicContact NE-OD2 2.65Å; R1449-D1551 IonicContact NH2-OD1 2.7Å; R1449-D1551 PolarHBondContact NH2-OD1 3.02Å; R1449-D1551 IonicContact NH2-OD2 3.19Å; R1449-D1551 PolarHBondContact NH2-OD2 3.02Å; L1546-D1551 HydrophobicContact CB-CB 3.87Å; L1546-D1551 HydrophobicContact CD2-CB 3.71Å; L1546-D1551 HydrophobicContact CG-CB 4.38Å; I1547-D1551 PolarHBondContact N-OD2 3.49Å; T1548-D1551 WeakPolarHBondContact CB-OD2 3.23Å; T1548-D1551 WeakPolarHBondContact CG2-OD2 3.49Å; T1548-D1551 PolarHBondContact N-OD2 2.91Å; T1548-D1551 WeakPolarHBondContact O-CB 3.3Å; T1548-D1551 PolarHBondContact O-N 3.16Å; T1548-D1551 VanDerWaalsContact O-N 3.08Å; T1548-D1551 WeakPolarHBondContact OG1-CB 3.32Å; T1548-D1551 PolarHBondContact OG1-N 2.9Å; T1548-D1551 PolarHBondContact OG1-OD2 2.95Å; D1551-R1553 PolarHBondContact O-N 3.38Å; D1551-V1554 WeakPolarHBondContact O-CB 3.43Å; D1551-V1554 PolarHBondContact O-N 2.91Å; D1551-H1692 PolarHBondContact O-CE1 2.83Å; D1551-H1692 VanDerWaalsContact O-CE1 3.28Å |
| 1552 | R | 93.6 | Very high | 92.9 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -55.9 | -23.3 | 175.1 | -63.7 | -159 | -145.1 | 103.6 | 27.6 | 114.2 | T1548 A1549 E1550 E1585 K1588 T1589 E1592 | T1548-R1552 PolarHBondContact O-N 3.4Å; A1549-R1552 VanDerWaalsContact CB-NH2 3.33Å; E1550-R1552 PolarHBondContact O-N 3.17Å; E1550-R1552 VanDerWaalsContact O-N 3.12Å; R1552-E1585 IonicContact CZ-OE1 2.72Å; R1552-E1585 IonicContact CZ-OE2 2.74Å; R1552-E1585 IonicContact NE-OE1 2.72Å; R1552-E1585 PolarHBondContact NE-OE1 3.18Å; R1552-E1585 VanDerWaalsContact NH2-CD 3.3Å; R1552-E1585 IonicContact NH2-OE1 3.36Å; R1552-E1585 PolarHBondContact NH2-OE1 3.48Å; R1552-E1585 IonicContact NH2-OE2 2.66Å; R1552-E1585 PolarHBondContact NH2-OE2 3.09Å; R1552-K1588 VanDerWaalsContact NH2-NZ 3.12Å; R1552-T1589 WeakPolarHBondContact CD-OG1 3.31Å; R1552-T1589 HydrophobicContact CG-CG2 4.14Å; R1552-T1589 WeakPolarHBondContact CG-OG1 3.42Å; R1552-E1592 WeakPolarHBondContact CD-OE2 3.47Å; R1552-E1592 IonicContact CZ-OE1 3.5Å; R1552-E1592 IonicContact CZ-OE2 2.84Å; R1552-E1592 IonicContact NE-OE2 3.77Å; R1552-E1592 VanDerWaalsContact NH1-CD 3.32Å; R1552-E1592 IonicContact NH1-OE1 2.79Å; R1552-E1592 PolarHBondContact NH1-OE1 2.67Å; R1552-E1592 IonicContact NH1-OE2 3.57Å; R1552-E1592 PolarHBondContact NH1-OE2 3.01Å |
| 1553 | R | 94.3 | Very high | 92.4 | Very high | 172 Ų | 172 | 32.6 Ų | 32.6 | 65% | 0.649 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -91.6 | 1.5 | 179 | -56.6 | -172.1 | 68.1 | -129.7 | -6 | 113.2 | E1550 D1551 Y1653 D1655 | E1550-R1553 PolarHBondContact O-N 2.96Å; D1551-R1553 PolarHBondContact O-N 3.38Å; R1553-Y1653 WeakPolarHBondContact O-CD1 3.45Å; R1553-D1655 HydrophobicContact CB-CB 4.43Å; R1553-D1655 HydrophobicContact CG-CB 4.34Å; R1553-D1655 IonicContact CZ-OD2 2.67Å; R1553-D1655 IonicContact NE-OD2 3.18Å; R1553-D1655 PolarHBondContact NE-OD2 3.34Å; R1553-D1655 IonicContact NH2-OD2 3.02Å; R1553-D1655 PolarHBondContact NH2-OD2 2.95Å |
| 1554 | V | 95.3 | Very high | 92 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 17% | 0.17 | 17% | 0.168 | C | C | . | . | trans | -106.3 | 139.2 | -174.3 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | C1448 L1546 D1551 H1692 | C1448-V1554 HydrophobicContact CB-CG1 4.19Å; C1448-V1554 WeakPolarHBondContact O-CG1 3.31Å; L1546-V1554 HydrophobicContact CD1-CB 4.28Å; L1546-V1554 HydrophobicContact CD1-CG1 4.21Å; L1546-V1554 WeakPolarHBondContact CD1-O 3.33Å; L1546-V1554 HydrophobicContact CD2-CB 4.09Å; L1546-V1554 HydrophobicContact CD2-CG1 3.93Å; D1551-V1554 WeakPolarHBondContact O-CB 3.43Å; D1551-V1554 PolarHBondContact O-N 2.91Å; V1554-H1692 PolarHBondContact O-ND1 3.43Å | ||
| 1555 | G | 94.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | trans | -90.5 | 142.1 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | Y1653 | G1555-Y1653 VanDerWaalsContact CA-CD2 3.48Š| ||
| 1556 | T | 95.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -80.3 | -32.9 | 162.7 | -47.9 | 0 | 0 | 0 | 0 | 110.8 | K1484 A1543 L1546 V1691 N1693 | K1484-T1556 WeakPolarHBondContact CD-O 3.4Å; K1484-T1556 PolarHBondContact NZ-O 3.32Å; A1543-T1556 HydrophobicContact CB-CG2 3.43Å; A1543-T1556 VanDerWaalsContact CB-CG2 3.43Å; L1546-T1556 WeakPolarHBondContact CD1-OG1 3.46Å; T1556-V1691 WeakPolarHBondContact CA-O 3.2Å; T1556-V1691 WeakPolarHBondContact CB-O 3.45Å; T1556-V1691 PolarHBondContact N-O 2.97Å; T1556-N1693 HydrophobicContact CG2-CB 4.32Å; T1556-N1693 WeakPolarHBondContact OG1-CB 3.5Å; T1556-N1693 PolarHBondContact OG1-N 2.94Å |
| 1557 | T | 93.6 | Very high | 92.2 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 126.2 | 159 | -63.3 | 0 | 0 | 0 | 0 | 107.2 | K1484 H1560 V1691 | K1484-T1557 PolarHBondContact NZ-OG1 3.42Å; T1557-H1560 VanDerWaalsContact CG2-CE1 3.43Å; T1557-H1560 WeakPolarHBondContact CG2-CE1 3.43Å; T1557-V1691 PolarHBondContact N-O 3.15Å; T1557-V1691 PolarHBondContact O-N 2.98Å |
| 1558 | N | 95.3 | Very high | 92.9 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 13% | 0.128 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 175.9 | -177.8 | -76 | -7.9 | 0 | 0 | 0 | 112.6 | H1560 Q1650 W1652 | N1558-H1560 PolarHBondContact O-N 3.09Å; N1558-H1560 PolarHBondContact O-ND1 3.1Å; N1558-Q1650 WeakPolarHBondContact CB-O 3.48Å; N1558-Q1650 PolarHBondContact ND2-O 2.89Å; N1558-W1652 WeakPolarHBondContact CB-O 3.39Å |
| 1559 | L | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 118.1 | 178 | -167.4 | 74.9 | 0 | 0 | 0 | 110.9 | Y1617 I1625 L1629 W1652 L1654 P1688 H1689 Q1690 | L1559-Y1617 HydrophobicContact CD1-CD2 4.03Å; L1559-Y1617 HydrophobicContact CD1-CE2 3.93Å; L1559-I1625 HydrophobicContact CD2-CG2 3.59Å; L1559-L1629 HydrophobicContact CD2-CD1 3.95Å; L1559-W1652 VanDerWaalsContact CB-O 3.3Å; L1559-W1652 WeakPolarHBondContact CB-O 3.35Å; L1559-W1652 PolarHBondContact N-O 3.12Å; L1559-L1654 HydrophobicContact CD1-CD1 4.12Å; L1559-L1654 HydrophobicContact CD2-CD1 3.72Å; L1559-L1654 HydrophobicContact CD2-CD2 4.4Å; L1559-L1654 HydrophobicContact CD2-CG 3.97Å; L1559-P1688 HydrophobicContact CD1-CB 4.25Å; L1559-H1689 WeakPolarHBondContact CA-O 3.25Å; L1559-Q1690 HydrophobicContact CB-CB 4.39Å; L1559-Q1690 HydrophobicContact CD1-CB 4.2Å; L1559-Q1690 HydrophobicContact CD1-CG 4.42Å |
| 1560 | H | 92.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 175.4 | 178.2 | 68 | -60.4 | 0 | 0 | 0 | 110.5 | F527 T1557 N1558 Q1650 P1688 H1689 | F527-H1560 AromaticContact CE1-NE2 3.85Å; T1557-H1560 VanDerWaalsContact CG2-CE1 3.43Å; T1557-H1560 WeakPolarHBondContact CG2-CE1 3.43Å; N1558-H1560 PolarHBondContact O-N 3.09Å; N1558-H1560 PolarHBondContact O-ND1 3.1Å; H1560-Q1650 HydrophobicContact CB-CB 4.48Å; H1560-Q1650 HydrophobicContact CB-CG 3.79Å; H1560-P1688 CarbonylContact O-C 3.58Å; H1560-P1688 VanDerWaalsContact O-CA 3.27Å; H1560-P1688 WeakPolarHBondContact O-CA 3.36Å; H1560-H1689 AromaticContact CE1-CD2 3.91Å; H1560-H1689 AromaticContact CE1-CE1 3.52Å; H1560-H1689 AromaticContact CE1-NE2 3.26Å; H1560-H1689 PolarHBondContact CE1-NE2 2.85Å; H1560-H1689 VanDerWaalsContact CE1-NE2 3.26Å; H1560-H1689 PolarHBondContact N-O 3.43Å; H1560-H1689 PolarHBondContact ND1-O 2.89Å; H1560-H1689 AromaticContact NE2-CE1 3.58Å; H1560-H1689 AromaticContact NE2-NE2 3.6Å; H1560-H1689 PolarHBondContact O-N 3.1Å |
| 1561 | L | 90.7 | Very high | 94.4 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 4% | 0.042 | 9% | 0.094 | C | C | . | . | trans | -138 | 152.2 | 172.7 | 64.7 | 77.5 | 0 | 0 | 0 | 111.5 | A1622 I1647 P1688 L1716 F1720 | L1561-A1622 HydrophobicContact CD2-CB 4.46Å; L1561-I1647 HydrophobicContact CB-CG2 4.41Å; L1561-I1647 HydrophobicContact CD2-CG2 4.05Å; L1561-I1647 HydrophobicContact CG-CG2 4.08Å; L1561-P1688 HydrophobicContact CD2-CG 4.39Å; L1561-L1716 HydrophobicContact CD1-CD2 3.88Å; L1561-F1720 HydrophobicContact CD1-CE2 4.15Å; L1561-F1720 HydrophobicContact CD1-CZ 4.37Å | ||
| 1562 | D | 87.7 | Confident | 94.7 | Very high | 40 Ų | 40 | 21.1 Ų | 21.1 | 21% | 0.214 | 10% | 0.1 | C | C | . | . | trans | -105.6 | 152.6 | -179.4 | -63.9 | -55.2 | 0 | 0 | 0 | 112.9 | G1686 H1689 | D1562-G1686 WeakPolarHBondContact O-CA 3.38Å; D1562-G1686 PolarHBondContact O-N 2.93Å; D1562-H1689 IonicContact OD2-CE1 2.8Å; D1562-H1689 PolarHBondContact OD2-CE1 2.81Å | ||
| 1563 | V | 86 | Confident | 94.9 | Very high | 32 Ų | 32 | 19.4 Ų | 19.4 | 19% | 0.194 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -75.6 | -23.8 | 176 | -70.4 | 0 | 0 | 0 | 0 | 113.5 | C1713 L1716 F1720 L1734 | V1563-C1713 WeakPolarHBondContact O-CA 3.41Å; V1563-C1713 WeakPolarHBondContact O-CB 3.48Å; V1563-C1713 PolarHBondContact O-SG 2.68Å; V1563-L1716 HydrophobicContact CG1-CB 4.26Å; V1563-F1720 HydrophobicContact CG1-CD2 3.52Å; V1563-F1720 HydrophobicContact CG1-CE2 3.28Å; V1563-F1720 HydrophobicContact CG1-CZ 4.11Å; V1563-L1734 HydrophobicContact CB-CD1 3.9Å; V1563-L1734 HydrophobicContact CG2-CD1 3.78Å; V1563-L1734 HydrophobicContact CG2-CG 3.95Å; V1563-L1734 WeakPolarHBondContact O-CD1 3.35Å |
| 1564 | S | 90.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 11.2 Ų | 11.2 | 6% | 0.056 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -108.3 | 167 | -177.4 | 27.4 | 0 | 0 | 0 | 0 | 111.5 | A1685 F1704 | S1564-A1685 VanDerWaalsContact O-CA 3.24Å; S1564-A1685 WeakPolarHBondContact O-CA 3.24Å; S1564-A1685 WeakPolarHBondContact O-CB 3.4Å; S1564-F1704 WeakPolarHBondContact CB-O 3.46Å |
| 1565 | D | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 149.2 | 160 | -63.7 | -56.4 | 0 | 0 | 0 | 109 | W1409 A1685 D1703 F1704 S1706 H1709 | W1409-D1565 HydrophobicContact CZ2-CB 3.88Å; W1409-D1565 WeakPolarHBondContact CZ2-OD1 3.15Å; D1565-A1685 PolarHBondContact OD1-N 3.03Å; D1565-D1703 CarbonylContact O-C 3.56Å; D1565-D1703 WeakPolarHBondContact O-CA 3.38Å; D1565-F1704 HydrophobicContact CB-CD1 4.15Å; D1565-F1704 HydrophobicContact CB-CD2 3.68Å; D1565-F1704 HydrophobicContact CB-CE1 3.95Å; D1565-F1704 HydrophobicContact CB-CE2 3.44Å; D1565-F1704 VanDerWaalsContact CB-CE2 3.44Å; D1565-F1704 HydrophobicContact CB-CG 4.02Å; D1565-F1704 HydrophobicContact CB-CZ 3.58Å; D1565-F1704 WeakPolarHBondContact CB-O 3.18Å; D1565-F1704 PolarHBondContact N-O 2.98Å; D1565-F1704 PolarHBondContact O-N 3.15Å; D1565-S1706 WeakPolarHBondContact OD2-CB 3.3Å; D1565-S1706 PolarHBondContact OD2-N 2.85Å; D1565-S1706 PolarHBondContact OD2-OG 3.1Å; D1565-H1709 WeakPolarHBondContact OD1-CB 3.44Å; D1565-H1709 IonicContact OD1-CE1 3.07Å; D1565-H1709 IonicContact OD1-CG 2.84Å; D1565-H1709 IonicContact OD1-ND1 2.72Å; D1565-H1709 PolarHBondContact OD1-ND1 2.89Å; D1565-H1709 IonicContact OD2-ND1 3.5Å |
| 1566 | A | 96.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 5% | 0.05 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 152.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1682 I1683 | A1566-F1682 WeakPolarHBondContact O-CA 3.45Å; A1566-I1683 HydrophobicContact CB-CD1 4.41Å; A1566-I1683 PolarHBondContact N-O 3.42Å; A1566-I1683 PolarHBondContact O-N 2.95Å |
| 1567 | V | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 120.6 | 166.6 | 58.2 | 0 | 0 | 0 | 0 | 110.1 | L1509 T1515 V1569 A1680 V1681 F1682 A1701 E1702 F1704 | L1509-V1567 HydrophobicContact CD2-CG1 4.29Å; T1515-V1567 HydrophobicContact CG2-CB 4.28Å; T1515-V1567 HydrophobicContact CG2-CG1 3.72Å; V1567-V1569 HydrophobicContact CG2-CG2 4.42Å; V1567-A1680 HydrophobicContact CG2-CB 4Å; V1567-V1681 CarbonylContact C-O 3.32Å; V1567-V1681 WeakPolarHBondContact CA-O 3.46Å; V1567-F1682 HydrophobicContact CB-CD1 4.17Å; V1567-F1682 HydrophobicContact CB-CD2 4.46Å; V1567-F1682 HydrophobicContact CB-CE1 4.03Å; V1567-F1682 HydrophobicContact CB-CE2 4.32Å; V1567-F1682 HydrophobicContact CB-CG 4.38Å; V1567-F1682 HydrophobicContact CB-CZ 4.09Å; V1567-F1682 HydrophobicContact CG2-CD1 4.36Å; V1567-F1682 HydrophobicContact CG2-CD2 3.84Å; V1567-F1682 HydrophobicContact CG2-CE1 4.08Å; V1567-F1682 HydrophobicContact CG2-CE2 3.5Å; V1567-F1682 VanDerWaalsContact CG2-CE2 3.5Å; V1567-F1682 HydrophobicContact CG2-CG 4.24Å; V1567-F1682 HydrophobicContact CG2-CZ 3.63Å; V1567-A1701 WeakPolarHBondContact O-CA 3.36Å; V1567-A1701 WeakPolarHBondContact O-CB 3.2Å; V1567-E1702 HydrophobicContact CG1-CB 4.3Å; V1567-E1702 PolarHBondContact N-O 2.78Å; V1567-E1702 PolarHBondContact O-N 3.26Å; V1567-E1702 VanDerWaalsContact O-N 3.16Å; V1567-F1704 HydrophobicContact CB-CE1 4.31Å; V1567-F1704 HydrophobicContact CG1-CE1 4.44Å |
| 1568 | N | 98.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 6% | 0.059 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118.1 | 179.7 | -174.3 | -73.2 | 0 | 0 | 0 | 110.9 | W1614 Q1675 A1680 V1681 I1683 K1699 A1701 | N1568-W1614 HydrophobicContact CB-CH2 3.78Å; N1568-W1614 HydrophobicContact CB-CZ2 4.09Å; N1568-Q1675 PolarHBondContact O-NE2 3.43Å; N1568-Q1675 VanDerWaalsContact O-NE2 3.09Å; N1568-Q1675 PolarHBondContact OD1-NE2 3.5Å; N1568-A1680 CarbonylContact O-C 3.52Å; N1568-A1680 VanDerWaalsContact O-CA 3.27Å; N1568-A1680 WeakPolarHBondContact O-CA 3.28Å; N1568-V1681 PolarHBondContact N-O 2.81Å; N1568-V1681 PolarHBondContact O-N 3.29Å; N1568-I1683 HydrophobicContact CB-CD1 4.14Å; N1568-K1699 WeakPolarHBondContact OD1-CD 3.33Å; N1568-A1701 HydrophobicContact CB-CB 4.24Å |
| 1569 | V | 98.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.7 | -178 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | V1420 L1505 L1509 V1567 V1571 A1680 K1699 V1700 | V1420-V1569 HydrophobicContact CB-CG1 4.12Å; V1420-V1569 HydrophobicContact CG1-CG1 3.91Å; L1505-V1569 HydrophobicContact CD1-CG2 4.42Å; L1509-V1569 HydrophobicContact CD2-CG2 4.24Å; V1567-V1569 HydrophobicContact CG2-CG2 4.42Å; V1569-V1571 HydrophobicContact CB-CG1 4.46Å; V1569-V1571 HydrophobicContact CG1-CG1 4.09Å; V1569-V1571 PolarHBondContact O-N 3.23Å; V1569-A1680 HydrophobicContact CG2-CB 3.99Å; V1569-K1699 CarbonylContact O-C 3.53Å; V1569-K1699 VanDerWaalsContact O-CA 3.28Å; V1569-K1699 WeakPolarHBondContact O-CA 3.31Å; V1569-V1700 PolarHBondContact N-O 2.76Å; V1569-V1700 PolarHBondContact O-N 3.42Å |
| 1570 | M | 98.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 103 | 170.3 | -177.8 | 70.2 | 67.7 | 0 | 0 | 109.9 | V1573 A1612 Q1675 F1676 G1678 D1679 C1697 K1699 | M1570-V1573 HydrophobicContact CG-CG2 3.57Å; M1570-V1573 HydrophobicContact SD-CG2 3.65Å; M1570-A1612 HydrophobicContact CE-CB 4.1Å; M1570-Q1675 HydrophobicContact CB-CG 3.95Å; M1570-Q1675 HydrophobicContact CE-CB 4.38Å; M1570-Q1675 HydrophobicContact CE-CG 4.08Å; M1570-F1676 WeakPolarHBondContact CB-O 3.2Å; M1570-G1678 WeakPolarHBondContact O-CA 3.49Å; M1570-G1678 PolarHBondContact O-N 2.67Å; M1570-D1679 PolarHBondContact N-O 3.01Å; M1570-C1697 HydrophobicContact CE-CB 4.11Å; M1570-C1697 HydrophobicContact SD-CB 3.78Å; M1570-K1699 HydrophobicContact CE-CD 3.96Å; M1570-K1699 HydrophobicContact CE-CG 4.03Å; M1570-K1699 HydrophobicContact SD-CG 3.97Å |
| 1571 | V | 98.3 | Very high | 88.5 | Confident | 11 Ų | 11 | 35 Ų | 35 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -24.4 | -176.6 | -61 | 0 | 0 | 0 | 0 | 113.3 | L1424 W1429 V1569 L1677 I1698 V1700 | L1424-V1571 HydrophobicContact CD1-CB 4.38Å; L1424-V1571 HydrophobicContact CD1-CG1 3.75Å; W1429-V1571 HydrophobicContact CB-CB 4.22Å; W1429-V1571 HydrophobicContact CB-CG2 4.27Å; W1429-V1571 HydrophobicContact CD2-CB 4.06Å; W1429-V1571 HydrophobicContact CD2-CG1 4.32Å; W1429-V1571 HydrophobicContact CD2-CG2 4.09Å; W1429-V1571 HydrophobicContact CE3-CB 4.14Å; W1429-V1571 HydrophobicContact CE3-CG1 4.37Å; W1429-V1571 HydrophobicContact CE3-CG2 3.68Å; W1429-V1571 HydrophobicContact CG-CB 4.11Å; W1429-V1571 HydrophobicContact CG-CG2 4.37Å; W1429-V1571 HydrophobicContact CZ3-CG2 4.34Å; V1569-V1571 HydrophobicContact CB-CG1 4.46Å; V1569-V1571 HydrophobicContact CG1-CG1 4.09Å; V1569-V1571 PolarHBondContact O-N 3.23Å; V1571-L1677 WeakPolarHBondContact O-CD1 3.34Å; V1571-I1698 HydrophobicContact CG2-CB 3.93Å; V1571-I1698 HydrophobicContact CG2-CG2 3.51Å; V1571-I1698 WeakPolarHBondContact CG2-O 3.33Å; V1571-I1698 PolarHBondContact N-O 3.49Å; V1571-V1700 HydrophobicContact CG1-CG2 4.01Å; V1571-V1700 HydrophobicContact CG2-CG2 4Å |
| 1572 | Y | 98.5 | Very high | 88.2 | Confident | 34 Ų | 34 | 36.7 Ų | 36.7 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 140.8 | 175.6 | -167.9 | -84.7 | 0 | 0 | 0 | 112.2 | W1429 K1430 P1431 F1466 E1467 I1698 | W1429-Y1572 WeakPolarHBondContact O-CB 3.37Å; W1429-Y1572 WeakPolarHBondContact O-CD2 3.08Å; K1430-Y1572 HydrophobicContact CG-CE2 4.09Å; P1431-Y1572 HydrophobicContact CG-CE1 3.88Å; F1466-Y1572 HydrophobicContact CE1-CD1 4.1Å; F1466-Y1572 HydrophobicContact CE1-CE1 4.22Å; E1467-Y1572 PolarHBondContact OE1-OH 2.88Å; Y1572-I1698 HydrophobicContact CD1-CD1 4.38Å; Y1572-I1698 HydrophobicContact CD1-CG1 4.5Å; Y1572-I1698 HydrophobicContact CG-CD1 4.25Å; Y1572-I1698 PolarHBondContact N-O 3.16Å; Y1572-I1698 PolarHBondContact O-N 2.95Å |
| 1573 | V | 98.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 109.8 | 172.3 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | M1570 K1609 P1610 L1677 Y1695 | M1570-V1573 HydrophobicContact CG-CG2 3.57Å; M1570-V1573 HydrophobicContact SD-CG2 3.65Å; V1573-K1609 HydrophobicContact CB-CB 4.12Å; V1573-K1609 HydrophobicContact CB-CD 4.23Å; V1573-K1609 HydrophobicContact CG1-CB 4.06Å; V1573-K1609 HydrophobicContact CG1-CD 4.46Å; V1573-K1609 PolarHBondContact O-NZ 3.11Å; V1573-P1610 WeakPolarHBondContact CG1-O 3.3Å; V1573-L1677 HydrophobicContact CG2-CB 4.03Å; V1573-L1677 HydrophobicContact CG2-CD1 4.37Å; V1573-Y1695 HydrophobicContact CG1-CD2 4.31Å |
| 1574 | G | 95.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 116.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1467 Y1695 S1696 | E1467-G1574 WeakPolarHBondContact OE1-CA 3.44Å; G1574-Y1695 WeakPolarHBondContact O-CB 3.35Å; G1574-S1696 PolarHBondContact N-O 3.45Å; G1574-S1696 PolarHBondContact O-N 2.86Å; G1574-S1696 VanDerWaalsContact O-N 3.15Å |
| 1575 | I | 93.5 | Very high | 88.2 | Confident | 57 Ų | 57 | 46.4 Ų | 46.4 | 29% | 0.292 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 129.1 | -176 | -60.8 | 178 | 0 | 0 | 0 | 107.4 | E1467 K1609 Y1695 | E1467-I1575 PolarHBondContact OE1-N 3.37Å; I1575-K1609 HydrophobicContact CD1-CD 4.09Å; I1575-K1609 HydrophobicContact CD1-CG 4.07Å; I1575-Y1695 HydrophobicContact CD1-CD2 4.48Å; I1575-Y1695 HydrophobicContact CD1-CE2 4.29Å; I1575-Y1695 HydrophobicContact CG1-CD2 3.94Å; I1575-Y1695 HydrophobicContact CG1-CE2 4.13Å; I1575-Y1695 HydrophobicContact CG1-CG 4.15Å; I1575-Y1695 HydrophobicContact CG2-CD1 4.35Å; I1575-Y1695 HydrophobicContact CG2-CE1 4.04Å |
| 1576 | P | 89.7 | Confident | 88.1 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 140.6 | -174.9 | -27.1 | 34.6 | 0 | 0 | 0 | 114.6 | E1467 I1469 I1547 | E1467-P1576 VanDerWaalsContact O-CA 3.3Å; E1467-P1576 WeakPolarHBondContact O-CA 3.47Å; I1469-P1576 HydrophobicContact CD1-CB 3.73Å; I1469-P1576 HydrophobicContact CD1-CG 4.17Å; I1469-P1576 HydrophobicContact CG1-CB 4.07Å; I1547-P1576 HydrophobicContact CD1-CG 3.72Å |
| 1577 | I | 83.2 | Confident | 88 | Confident | 119 Ų | 119 | 49.3 Ų | 49.3 | 61% | 0.61 | 28% | 0.282 | S | S | * | . | trans | -102.2 | 109.3 | -179.2 | -54.4 | 174.4 | 0 | 0 | 0 | 109.4 | E1467 | E1467-I1577 HydrophobicContact CB-CD1 4.48Å; E1467-I1577 HydrophobicContact CB-CG1 4.44Å; E1467-I1577 PolarHBondContact O-N 2.98Å | ||
| 1578 | G | 72.6 | Confident | 87.8 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 68% | 0.68 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 166.1 | -175.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1580 | G1578-G1580 PolarHBondContact O-N 3.49Š|
| 1579 | E | 54.8 | Low | 87.7 | Confident | 210 Ų | 210 | 53.7 Ų | 53.7 | 98% | 0.981 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -82.8 | 102.2 | 169.4 | -67.7 | -175.6 | 157.5 | 0 | 0 | 109.7 | ||
| 1580 | G | 63.9 | Low | 87.6 | Confident | 42 Ų | 42 | 53.8 Ų | 53.8 | 43% | 0.433 | 30% | 0.302 | S | S | . | . | trans | -164.6 | 133 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1578 H1582 | G1578-G1580 PolarHBondContact O-N 3.49Å; G1580-H1582 PolarHBondContact O-N 2.96Å | ||
| 1581 | A | 70.5 | Confident | 87.4 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | trans | -78.6 | 47.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1583 | A1581-D1583 VanDerWaalsContact C-N 3.31Å; A1581-D1583 PolarHBondContact O-N 2.67Å | ||
| 1582 | H | 82.8 | Confident | 87.3 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -33.3 | -172.4 | -62.8 | -50.7 | 0 | 0 | 0 | 113.2 | I1547 G1580 E1584 E1585 V1586 | I1547-H1582 HydrophobicContact CG2-CB 3.79Å; G1580-H1582 PolarHBondContact O-N 2.96Å; H1582-E1584 VanDerWaalsContact C-N 3.33Å; H1582-E1584 PolarHBondContact O-N 3.38Å; H1582-E1585 PolarHBondContact O-N 3.5Å; H1582-V1586 WeakPolarHBondContact O-CG2 3.42Å; H1582-V1586 PolarHBondContact O-N 3.02Å |
| 1583 | D | 86.2 | Confident | 87.1 | Confident | 96 Ų | 96 | 58.8 Ų | 58.8 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.8 | -33.4 | -175.1 | -63.4 | 1.7 | 0 | 0 | 0 | 112.9 | A1581 L1587 Y1695 | A1581-D1583 VanDerWaalsContact C-N 3.31Å; A1581-D1583 PolarHBondContact O-N 2.67Å; D1583-L1587 WeakPolarHBondContact O-CB 3.18Å; D1583-L1587 VanDerWaalsContact O-CG 3.26Å; D1583-L1587 WeakPolarHBondContact O-CG 3.49Å; D1583-L1587 PolarHBondContact O-N 3.12Å; D1583-Y1695 PolarHBondContact OD1-OH 3.49Å |
| 1584 | E | 88.8 | Confident | 87 | Confident | 151 Ų | 151 | 63.2 Ų | 63.2 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | 177.4 | -63.2 | -171.5 | 167.3 | 0 | 0 | 111.5 | H1582 L1587 K1588 | H1582-E1584 VanDerWaalsContact C-N 3.33Å; H1582-E1584 PolarHBondContact O-N 3.38Å; E1584-L1587 PolarHBondContact O-N 3.35Å; E1584-K1588 WeakPolarHBondContact O-CB 3.41Å; E1584-K1588 PolarHBondContact O-N 2.94Å |
| 1585 | E | 91 | Very high | 87 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 17% | 0.168 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.2 | -35.6 | 179.8 | -174 | 54.7 | -147.3 | 0 | 0 | 111.4 | A1549 R1552 H1582 T1589 | A1549-E1585 VanDerWaalsContact CA-OE1 3.28Å; A1549-E1585 WeakPolarHBondContact CA-OE1 3.31Å; A1549-E1585 PolarHBondContact N-OE1 3.39Å; R1552-E1585 IonicContact CZ-OE1 2.72Å; R1552-E1585 IonicContact CZ-OE2 2.74Å; R1552-E1585 IonicContact NE-OE1 2.72Å; R1552-E1585 PolarHBondContact NE-OE1 3.18Å; R1552-E1585 VanDerWaalsContact NH2-CD 3.3Å; R1552-E1585 IonicContact NH2-OE1 3.36Å; R1552-E1585 PolarHBondContact NH2-OE1 3.48Å; R1552-E1585 IonicContact NH2-OE2 2.66Å; R1552-E1585 PolarHBondContact NH2-OE2 3.09Å; H1582-E1585 PolarHBondContact O-N 3.5Å; E1585-T1589 WeakPolarHBondContact O-CB 3.18Å; E1585-T1589 PolarHBondContact O-N 3.05Å; E1585-T1589 PolarHBondContact O-OG1 2.69Å |
| 1586 | V | 93 | Very high | 87.1 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -48 | 171.3 | 165.5 | 0 | 0 | 0 | 0 | 111.5 | I1547 H1582 K1588 T1589 I1590 L1694 Y1695 | I1547-V1586 HydrophobicContact CG2-CG2 4.39Å; H1582-V1586 WeakPolarHBondContact O-CG2 3.42Å; H1582-V1586 PolarHBondContact O-N 3.02Å; V1586-K1588 VanDerWaalsContact C-N 3.33Å; V1586-K1588 PolarHBondContact O-N 2.97Å; V1586-T1589 PolarHBondContact O-N 3.42Å; V1586-I1590 HydrophobicContact CG1-CD1 4Å; V1586-I1590 WeakPolarHBondContact O-CG1 3.47Å; V1586-I1590 PolarHBondContact O-N 2.94Å; V1586-L1694 HydrophobicContact CG1-CB 4.1Å; V1586-L1694 HydrophobicContact CG1-CD2 4.38Å; V1586-L1694 HydrophobicContact CG2-CB 4.39Å; V1586-Y1695 HydrophobicContact CG1-CE2 4.25Å; V1586-Y1695 HydrophobicContact CG2-CD1 4.37Å; V1586-Y1695 HydrophobicContact CG2-CE1 3.86Å |
| 1587 | L | 92.9 | Very high | 87.4 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 177.1 | -75.6 | 169.7 | 0 | 0 | 0 | 111.8 | D1583 E1584 T1589 I1590 D1591 I1603 | D1583-L1587 WeakPolarHBondContact O-CB 3.18Å; D1583-L1587 VanDerWaalsContact O-CG 3.26Å; D1583-L1587 WeakPolarHBondContact O-CG 3.49Å; D1583-L1587 PolarHBondContact O-N 3.12Å; E1584-L1587 PolarHBondContact O-N 3.35Å; L1587-T1589 PolarHBondContact O-N 3.01Å; L1587-I1590 PolarHBondContact O-N 3.44Å; L1587-D1591 PolarHBondContact O-N 3.5Å; L1587-I1603 HydrophobicContact CD2-CD1 4.23Å; L1587-I1603 HydrophobicContact CD2-CG2 4.12Å |
| 1588 | K | 94.7 | Very high | 87.9 | Confident | 94 Ų | 94 | 64 Ų | 64 | 41% | 0.409 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 175.8 | -175.5 | 176.8 | 173.9 | -168 | 0 | 112.7 | R1552 E1584 V1586 I1590 D1591 E1592 | R1552-K1588 VanDerWaalsContact NH2-NZ 3.12Å; E1584-K1588 WeakPolarHBondContact O-CB 3.41Å; E1584-K1588 PolarHBondContact O-N 2.94Å; V1586-K1588 VanDerWaalsContact C-N 3.33Å; V1586-K1588 PolarHBondContact O-N 2.97Å; K1588-I1590 VanDerWaalsContact C-N 3.28Å; K1588-I1590 PolarHBondContact O-N 3.49Å; K1588-D1591 PolarHBondContact O-N 2.96Å; K1588-E1592 WeakPolarHBondContact CE-OE1 3.38Å; K1588-E1592 HydrophobicContact CG-CG 4.46Å; K1588-E1592 IonicContact NZ-OE1 3.55Å; K1588-E1592 WeakPolarHBondContact O-CB 3.46Å; K1588-E1592 PolarHBondContact O-N 3.48Å |
| 1589 | T | 95.9 | Very high | 89 | Confident | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.055 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.7 | -28.4 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | R1552 E1585 V1586 L1587 G1593 L1694 | R1552-T1589 WeakPolarHBondContact CD-OG1 3.31Å; R1552-T1589 HydrophobicContact CG-CG2 4.14Å; R1552-T1589 WeakPolarHBondContact CG-OG1 3.42Å; E1585-T1589 WeakPolarHBondContact O-CB 3.18Å; E1585-T1589 PolarHBondContact O-N 3.05Å; E1585-T1589 PolarHBondContact O-OG1 2.69Å; V1586-T1589 PolarHBondContact O-N 3.42Å; L1587-T1589 PolarHBondContact O-N 3.01Å; T1589-G1593 VanDerWaalsContact O-CA 3.31Å; T1589-G1593 WeakPolarHBondContact O-CA 3.44Å; T1589-G1593 PolarHBondContact O-N 2.82Å; T1589-L1694 HydrophobicContact CG2-CD2 3.9Å |
| 1590 | I | 96 | Very high | 90.9 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.1 | -37.5 | 173.3 | -67.1 | 167.4 | 0 | 0 | 0 | 111.2 | V1586 L1587 K1588 G1593 A1595 I1603 P1610 V1674 L1694 | V1586-I1590 HydrophobicContact CG1-CD1 4Å; V1586-I1590 WeakPolarHBondContact O-CG1 3.47Å; V1586-I1590 PolarHBondContact O-N 2.94Å; L1587-I1590 PolarHBondContact O-N 3.44Å; K1588-I1590 VanDerWaalsContact C-N 3.28Å; K1588-I1590 PolarHBondContact O-N 3.49Å; I1590-G1593 WeakPolarHBondContact O-CA 3.4Å; I1590-G1593 PolarHBondContact O-N 3.13Å; I1590-A1595 HydrophobicContact CG2-CB 3.63Å; I1590-A1595 WeakPolarHBondContact O-CB 3.39Å; I1590-A1595 PolarHBondContact O-N 3.43Å; I1590-I1603 HydrophobicContact CD1-CD1 3.51Å; I1590-I1603 HydrophobicContact CG2-CD1 4.24Å; I1590-P1610 HydrophobicContact CD1-CB 4.44Å; I1590-V1674 HydrophobicContact CD1-CG2 4.48Å; I1590-V1674 HydrophobicContact CG1-CG2 4.21Å; I1590-V1674 HydrophobicContact CG2-CG2 3.88Å; I1590-L1694 HydrophobicContact CD1-CD1 3.85Å; I1590-L1694 HydrophobicContact CG1-CD1 3.84Å; I1590-L1694 HydrophobicContact CG1-CD2 4.05Å |
| 1591 | D | 95.1 | Very high | 92.3 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.1 | -51 | 176.9 | -164.1 | 64 | 0 | 0 | 0 | 112.1 | L1587 K1588 G1593 D1594 K1600 | L1587-D1591 PolarHBondContact O-N 3.5Å; K1588-D1591 PolarHBondContact O-N 2.96Å; D1591-G1593 PolarHBondContact O-N 2.69Å; D1591-G1593 VanDerWaalsContact O-N 3.08Å; D1591-D1594 PolarHBondContact O-N 3.29Å; D1591-K1600 WeakPolarHBondContact OD1-CE 3.26Å; D1591-K1600 IonicContact OD1-NZ 3.98Å; D1591-K1600 PolarHBondContact OD1-NZ 3.36Å |
| 1592 | E | 95.3 | Very high | 93.3 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 24% | 0.243 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -7.1 | 168.6 | -67.4 | -179.5 | -171.2 | 0 | 0 | 112.9 | R1552 K1588 R1659 | R1552-E1592 WeakPolarHBondContact CD-OE2 3.47Å; R1552-E1592 IonicContact CZ-OE1 3.5Å; R1552-E1592 IonicContact CZ-OE2 2.84Å; R1552-E1592 IonicContact NE-OE2 3.77Å; R1552-E1592 VanDerWaalsContact NH1-CD 3.32Å; R1552-E1592 IonicContact NH1-OE1 2.79Å; R1552-E1592 PolarHBondContact NH1-OE1 2.67Å; R1552-E1592 IonicContact NH1-OE2 3.57Å; R1552-E1592 PolarHBondContact NH1-OE2 3.01Å; K1588-E1592 WeakPolarHBondContact CE-OE1 3.38Å; K1588-E1592 HydrophobicContact CG-CG 4.46Å; K1588-E1592 IonicContact NZ-OE1 3.55Å; K1588-E1592 WeakPolarHBondContact O-CB 3.46Å; K1588-E1592 PolarHBondContact O-N 3.48Å; E1592-R1659 PolarHBondContact O-NH2 3.22Å |
| 1593 | G | 96 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1589 I1590 D1591 A1595 H1615 A1672 | T1589-G1593 VanDerWaalsContact O-CA 3.31Å; T1589-G1593 WeakPolarHBondContact O-CA 3.44Å; T1589-G1593 PolarHBondContact O-N 2.82Å; I1590-G1593 WeakPolarHBondContact O-CA 3.4Å; I1590-G1593 PolarHBondContact O-N 3.13Å; D1591-G1593 PolarHBondContact O-N 2.69Å; D1591-G1593 VanDerWaalsContact O-N 3.08Å; G1593-A1595 VanDerWaalsContact C-N 3.31Å; G1593-A1595 PolarHBondContact O-N 2.89Å; G1593-H1615 PolarHBondContact O-NE2 2.89Å; G1593-A1672 WeakPolarHBondContact O-CB 3.39Å |
| 1594 | D | 96.4 | Very high | 93.9 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 25 | -177.9 | -43 | -64.5 | 0 | 0 | 0 | 114.7 | D1591 R1659 A1672 | D1591-D1594 PolarHBondContact O-N 3.29Å; D1594-R1659 IonicContact OD2-CZ 2.65Å; D1594-R1659 IonicContact OD2-NE 3.1Å; D1594-R1659 PolarHBondContact OD2-NE 3.25Å; D1594-R1659 IonicContact OD2-NH2 3.41Å; D1594-R1659 PolarHBondContact OD2-NH2 2.75Å; D1594-A1672 HydrophobicContact CB-CB 4.26Å; D1594-A1672 WeakPolarHBondContact O-CB 3.42Å |
| 1595 | A | 95.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | trans | -73.3 | 146.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1590 G1593 T1599 K1600 V1674 | I1590-A1595 HydrophobicContact CG2-CB 3.63Å; I1590-A1595 WeakPolarHBondContact O-CB 3.39Å; I1590-A1595 PolarHBondContact O-N 3.43Å; G1593-A1595 VanDerWaalsContact C-N 3.31Å; G1593-A1595 PolarHBondContact O-N 2.89Å; A1595-T1599 HydrophobicContact CB-CG2 4.31Å; A1595-K1600 WeakPolarHBondContact O-CE 3.49Å; A1595-V1674 HydrophobicContact CB-CG2 4.18Å | ||
| 1596 | D | 95.7 | Very high | 93.4 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | trans | -77.4 | 158.6 | -177.1 | 76.7 | -100.8 | 0 | 0 | 0 | 114 | C1386 V1598 T1599 K1600 | C1386-D1596 PolarHBondContact N-OD1 3.35Å; D1596-V1598 VanDerWaalsContact C-N 3.3Å; D1596-V1598 PolarHBondContact O-N 3.17Å; D1596-V1598 WeakPolarHBondContact OD2-CA 3.36Å; D1596-V1598 VanDerWaalsContact OD2-CB 3.3Å; D1596-V1598 WeakPolarHBondContact OD2-CB 3.4Å; D1596-V1598 PolarHBondContact OD2-N 3.23Å; D1596-T1599 WeakPolarHBondContact O-CA 3.49Å; D1596-T1599 VanDerWaalsContact O-CB 3.32Å; D1596-T1599 WeakPolarHBondContact O-CB 3.3Å; D1596-T1599 PolarHBondContact O-N 3.04Å; D1596-T1599 VanDerWaalsContact O-N 3.1Å; D1596-T1599 PolarHBondContact OD1-OG1 3.4Å; D1596-T1599 PolarHBondContact OD2-N 3.42Å; D1596-T1599 PolarHBondContact OD2-OG1 3.05Å; D1596-K1600 PolarHBondContact O-N 3.48Å | ||
| 1597 | E | 95.1 | Very high | 93.2 | Very high | 115 Ų | 115 | 60.5 Ų | 60.5 | 54% | 0.537 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -28.1 | -175.9 | -63.8 | -58.2 | 126.4 | 0 | 0 | 114.3 | K1600 Q1601 | E1597-K1600 PolarHBondContact O-N 2.86Å; E1597-K1600 WeakPolarHBondContact OE1-CE 3.28Å; E1597-K1600 IonicContact OE1-NZ 3.4Å; E1597-K1600 PolarHBondContact OE1-NZ 2.68Å; E1597-Q1601 VanDerWaalsContact O-CG 3.28Å; E1597-Q1601 WeakPolarHBondContact O-CG 3.37Å; E1597-Q1601 PolarHBondContact O-N 2.8Å |
| 1598 | V | 94.4 | Very high | 93.2 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74.7 | -37.5 | 175.4 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | L1385 D1596 K1600 Q1601 R1602 | L1385-V1598 HydrophobicContact CD2-CB 4.04Å; L1385-V1598 HydrophobicContact CD2-CG1 3.9Å; D1596-V1598 VanDerWaalsContact C-N 3.3Å; D1596-V1598 PolarHBondContact O-N 3.17Å; D1596-V1598 WeakPolarHBondContact OD2-CA 3.36Å; D1596-V1598 VanDerWaalsContact OD2-CB 3.3Å; D1596-V1598 WeakPolarHBondContact OD2-CB 3.4Å; D1596-V1598 PolarHBondContact OD2-N 3.23Å; V1598-K1600 VanDerWaalsContact C-N 3.33Å; V1598-Q1601 WeakPolarHBondContact O-CB 3.29Å; V1598-Q1601 PolarHBondContact O-N 3.36Å; V1598-R1602 PolarHBondContact O-N 3.19Å; V1598-R1602 VanDerWaalsContact O-N 3.1Å |
| 1599 | T | 95.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 170.2 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | A1595 D1596 R1602 V1674 F1676 | A1595-T1599 HydrophobicContact CB-CG2 4.31Å; D1596-T1599 WeakPolarHBondContact O-CA 3.49Å; D1596-T1599 VanDerWaalsContact O-CB 3.32Å; D1596-T1599 WeakPolarHBondContact O-CB 3.3Å; D1596-T1599 PolarHBondContact O-N 3.04Å; D1596-T1599 VanDerWaalsContact O-N 3.1Å; D1596-T1599 PolarHBondContact OD1-OG1 3.4Å; D1596-T1599 PolarHBondContact OD2-N 3.42Å; D1596-T1599 PolarHBondContact OD2-OG1 3.05Å; T1599-R1602 PolarHBondContact O-N 3.27Å; T1599-V1674 HydrophobicContact CG2-CB 3.67Å; T1599-V1674 HydrophobicContact CG2-CG2 3.66Å; T1599-F1676 HydrophobicContact CG2-CE2 4.3Å |
| 1600 | K | 94.4 | Very high | 93.2 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 14% | 0.143 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 172 | -63.3 | 175.5 | -163.5 | 171.9 | 0 | 112.2 | D1591 A1595 D1596 E1597 V1598 R1602 I1603 H1604 | D1591-K1600 WeakPolarHBondContact OD1-CE 3.26Å; D1591-K1600 IonicContact OD1-NZ 3.98Å; D1591-K1600 PolarHBondContact OD1-NZ 3.36Å; A1595-K1600 WeakPolarHBondContact O-CE 3.49Å; D1596-K1600 PolarHBondContact O-N 3.48Å; E1597-K1600 PolarHBondContact O-N 2.86Å; E1597-K1600 WeakPolarHBondContact OE1-CE 3.28Å; E1597-K1600 IonicContact OE1-NZ 3.4Å; E1597-K1600 PolarHBondContact OE1-NZ 2.68Å; V1598-K1600 VanDerWaalsContact C-N 3.33Å; K1600-R1602 VanDerWaalsContact C-N 3.34Å; K1600-R1602 PolarHBondContact O-N 2.98Å; K1600-I1603 WeakPolarHBondContact O-CB 3.33Å; K1600-I1603 PolarHBondContact O-N 2.92Å; K1600-I1603 VanDerWaalsContact O-N 3.11Å; K1600-H1604 PolarHBondContact O-CD2 2.8Å; K1600-H1604 PolarHBondContact O-N 3.45Å |
| 1601 | Q | 92 | Very high | 93.3 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.2 | -33.6 | 175.6 | -73.4 | 162.2 | 17.5 | 0 | 0 | 113.4 | E1597 V1598 I1603 H1604 D1605 G1606 | E1597-Q1601 VanDerWaalsContact O-CG 3.28Å; E1597-Q1601 WeakPolarHBondContact O-CG 3.37Å; E1597-Q1601 PolarHBondContact O-N 2.8Å; V1598-Q1601 WeakPolarHBondContact O-CB 3.29Å; V1598-Q1601 PolarHBondContact O-N 3.36Å; Q1601-I1603 PolarHBondContact O-N 2.78Å; Q1601-H1604 PolarHBondContact O-N 2.66Å; Q1601-D1605 WeakPolarHBondContact O-CB 3.43Å; Q1601-D1605 PolarHBondContact O-N 2.91Å; Q1601-G1606 PolarHBondContact O-N 2.84Å |
| 1602 | R | 92.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 11% | 0.109 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.8 | -32.1 | 172.6 | -69.9 | -178 | 71.5 | -167.9 | -0.2 | 112.9 | V1598 T1599 K1600 G1606 K1607 E1608 F1676 D1679 | V1598-R1602 PolarHBondContact O-N 3.19Å; V1598-R1602 VanDerWaalsContact O-N 3.1Å; T1599-R1602 PolarHBondContact O-N 3.27Å; K1600-R1602 VanDerWaalsContact C-N 3.34Å; K1600-R1602 PolarHBondContact O-N 2.98Å; R1602-G1606 CarbonylContact O-C 3.57Å; R1602-G1606 VanDerWaalsContact O-CA 3.27Å; R1602-G1606 WeakPolarHBondContact O-CA 3.4Å; R1602-G1606 PolarHBondContact O-N 2.82Å; R1602-K1607 PolarHBondContact O-N 2.94Å; R1602-E1608 IonicContact CZ-OE1 3.75Å; R1602-E1608 IonicContact CZ-OE2 3.03Å; R1602-E1608 IonicContact NE-OE1 3.99Å; R1602-E1608 PolarHBondContact NE-OE1 3.44Å; R1602-E1608 IonicContact NE-OE2 3.27Å; R1602-E1608 IonicContact NH2-OE1 2.65Å; R1602-E1608 PolarHBondContact NH2-OE1 3.47Å; R1602-E1608 IonicContact NH2-OE2 2.7Å; R1602-E1608 PolarHBondContact NH2-OE2 2.57Å; R1602-E1608 PolarHBondContact O-N 2.75Å; R1602-F1676 HydrophobicContact CB-CE1 4.08Å; R1602-F1676 HydrophobicContact CB-CE2 4.11Å; R1602-F1676 HydrophobicContact CB-CZ 3.63Å; R1602-D1679 IonicContact CZ-OD2 2.69Å; R1602-D1679 IonicContact NH1-OD2 3.94Å; R1602-D1679 PolarHBondContact NH1-OD2 2.91Å; R1602-D1679 IonicContact NH2-OD1 3.92Å; R1602-D1679 PolarHBondContact NH2-OD1 2.89Å; R1602-D1679 VanDerWaalsContact NH2-OD1 3.16Å; R1602-D1679 IonicContact NH2-OD2 3.73Å; R1602-D1679 PolarHBondContact NH2-OD2 3.09Å |
| 1603 | I | 91.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 52.9 Ų | 52.9 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -75.7 | -56.2 | 177.8 | -47.7 | 168 | 0 | 0 | 0 | 110 | L1587 I1590 K1600 Q1601 K1607 F1676 | L1587-I1603 HydrophobicContact CD2-CD1 4.23Å; L1587-I1603 HydrophobicContact CD2-CG2 4.12Å; I1590-I1603 HydrophobicContact CD1-CD1 3.51Å; I1590-I1603 HydrophobicContact CG2-CD1 4.24Å; K1600-I1603 WeakPolarHBondContact O-CB 3.33Å; K1600-I1603 PolarHBondContact O-N 2.92Å; K1600-I1603 VanDerWaalsContact O-N 3.11Å; Q1601-I1603 PolarHBondContact O-N 2.78Å; I1603-K1607 WeakPolarHBondContact O-CA 3.45Å; I1603-K1607 PolarHBondContact O-N 3.29Å; I1603-F1676 HydrophobicContact CG1-CE1 3.79Å; I1603-F1676 HydrophobicContact CG1-CZ 3.73Å |
| 1604 | H | 88.5 | Confident | 93.7 | Very high | 109 Ų | 109 | 53 Ų | 53 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.2 | -48.8 | -171.8 | -62.6 | -59.4 | 0 | 0 | 0 | 113.5 | K1600 Q1601 | K1600-H1604 PolarHBondContact O-CD2 2.8Å; K1600-H1604 PolarHBondContact O-N 3.45Å; Q1601-H1604 PolarHBondContact O-N 2.66Å |
| 1605 | D | 87.5 | Confident | 93.8 | Very high | 127 Ų | 127 | 48.8 Ų | 48.8 | 68% | 0.679 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -44.2 | -175.5 | -60.2 | -40.9 | 0 | 0 | 0 | 111.3 | Q1601 | Q1601-D1605 WeakPolarHBondContact O-CB 3.43Å; Q1601-D1605 PolarHBondContact O-N 2.91Å |
| 1606 | G | 82.9 | Confident | 94 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -25.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q1601 R1602 E1608 | Q1601-G1606 PolarHBondContact O-N 2.84Å; R1602-G1606 CarbonylContact O-C 3.57Å; R1602-G1606 VanDerWaalsContact O-CA 3.27Å; R1602-G1606 WeakPolarHBondContact O-CA 3.4Å; R1602-G1606 PolarHBondContact O-N 2.82Å; G1606-E1608 PolarHBondContact O-N 3.1Å |
| 1607 | K | 88.7 | Confident | 94.1 | Very high | 178 Ų | 178 | 48.3 Ų | 48.3 | 77% | 0.774 | 24% | 0.242 | S | C | * | . | trans | 52.7 | 29.6 | -173.2 | -55.4 | -171.3 | 179.9 | -172.1 | 0 | 113.1 | R1602 I1603 | R1602-K1607 PolarHBondContact O-N 2.94Å; I1603-K1607 WeakPolarHBondContact O-CA 3.45Å; I1603-K1607 PolarHBondContact O-N 3.29Å | ||
| 1608 | E | 93.2 | Very high | 94.2 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | trans | -71.7 | 142.7 | 174.5 | -61.3 | -171.7 | -103.9 | 0 | 0 | 109.3 | R1602 G1606 P1610 F1676 | R1602-E1608 IonicContact CZ-OE1 3.75Å; R1602-E1608 IonicContact CZ-OE2 3.03Å; R1602-E1608 IonicContact NE-OE1 3.99Å; R1602-E1608 PolarHBondContact NE-OE1 3.44Å; R1602-E1608 IonicContact NE-OE2 3.27Å; R1602-E1608 IonicContact NH2-OE1 2.65Å; R1602-E1608 PolarHBondContact NH2-OE1 3.47Å; R1602-E1608 IonicContact NH2-OE2 2.7Å; R1602-E1608 PolarHBondContact NH2-OE2 2.57Å; R1602-E1608 PolarHBondContact O-N 2.75Å; G1606-E1608 PolarHBondContact O-N 3.1Å; E1608-P1610 WeakPolarHBondContact O-CD 3.16Å; E1608-F1676 HydrophobicContact CB-CB 4.4Å; E1608-F1676 HydrophobicContact CB-CD1 3.35Å; E1608-F1676 HydrophobicContact CB-CE1 3.83Å; E1608-F1676 HydrophobicContact CB-CG 4.09Å | ||
| 1609 | K | 93.3 | Very high | 94.2 | Very high | 80 Ų | 80 | 40.8 Ų | 40.8 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | trans | -77.2 | 109.9 | 177.8 | -69.1 | -171 | 165.7 | -167.5 | 0 | 110.5 | V1573 I1575 F1676 L1677 | V1573-K1609 HydrophobicContact CB-CB 4.12Å; V1573-K1609 HydrophobicContact CB-CD 4.23Å; V1573-K1609 HydrophobicContact CG1-CB 4.06Å; V1573-K1609 HydrophobicContact CG1-CD 4.46Å; V1573-K1609 PolarHBondContact O-NZ 3.11Å; I1575-K1609 HydrophobicContact CD1-CD 4.09Å; I1575-K1609 HydrophobicContact CD1-CG 4.07Å; K1609-F1676 CarbonylContact O-C 3.51Å; K1609-F1676 VanDerWaalsContact O-CA 3.26Å; K1609-F1676 WeakPolarHBondContact O-CA 3.31Å; K1609-F1676 WeakPolarHBondContact O-CB 3.47Å; K1609-L1677 HydrophobicContact CB-CB 4.32Å; K1609-L1677 PolarHBondContact O-N 3.16Å | ||
| 1610 | P | 96.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 129.5 | 173.4 | 32 | -34.2 | 0 | 0 | 0 | 108.9 | V1573 I1590 E1608 V1674 F1676 L1694 Y1695 | V1573-P1610 WeakPolarHBondContact CG1-O 3.3Å; I1590-P1610 HydrophobicContact CD1-CB 4.44Å; E1608-P1610 WeakPolarHBondContact O-CD 3.16Å; P1610-V1674 HydrophobicContact CB-CG1 3.54Å; P1610-F1676 HydrophobicContact CB-CD1 4.1Å; P1610-F1676 HydrophobicContact CB-CE1 3.91Å; P1610-F1676 HydrophobicContact CB-CZ 4.44Å; P1610-L1694 HydrophobicContact CB-CD1 4.09Å; P1610-Y1695 HydrophobicContact CG-CE2 4.14Å; P1610-Y1695 VanDerWaalsContact O-CD2 3.31Å; P1610-Y1695 WeakPolarHBondContact O-CD2 3.42Å |
| 1611 | G | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -60 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1675 L1694 Y1695 C1697 | G1611-Q1675 WeakPolarHBondContact CA-O 3.3Å; G1611-Q1675 PolarHBondContact N-O 2.89Å; G1611-L1694 WeakPolarHBondContact O-CB 3.46Å; G1611-L1694 PolarHBondContact O-N 2.6Å; G1611-Y1695 PolarHBondContact O-N 3.15Å; G1611-C1697 WeakPolarHBondContact CA-SG 3.45Å; G1611-C1697 PolarHBondContact O-SG 3.43Å |
| 1612 | A | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 145.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1570 Q1675 V1691 H1692 | M1570-A1612 HydrophobicContact CE-CB 4.1Å; A1612-Q1675 PolarHBondContact N-O 2.87Å; A1612-Q1675 PolarHBondContact O-N 3.2Å; A1612-V1691 HydrophobicContact CB-CG1 3.87Å; A1612-H1692 CarbonylContact C-O 3.6Å; A1612-H1692 VanDerWaalsContact CA-O 3.27Å; A1612-H1692 WeakPolarHBondContact CA-O 3.29Å; A1612-H1692 WeakPolarHBondContact CB-O 3.33Å |
| 1613 | L | 98.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 129.7 | 166.5 | 176.6 | 64.4 | 0 | 0 | 0 | 109.1 | V1674 H1692 L1694 | L1613-V1674 HydrophobicContact CD1-CG2 4.2Å; L1613-H1692 PolarHBondContact N-O 3.28Å; L1613-H1692 PolarHBondContact O-N 2.85Å; L1613-L1694 HydrophobicContact CB-CD1 4.39Å; L1613-L1694 HydrophobicContact CB-CD2 4.37Å; L1613-L1694 HydrophobicContact CB-CG 4.43Å |
| 1614 | W | 98.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145.1 | 174.6 | -65.5 | 65.4 | 0 | 0 | 0 | 110 | N1568 I1616 A1672 I1673 I1683 H1689 Q1690 V1691 K1699 | N1568-W1614 HydrophobicContact CB-CH2 3.78Å; N1568-W1614 HydrophobicContact CB-CZ2 4.09Å; W1614-I1616 HydrophobicContact CE3-CD1 4.41Å; W1614-A1672 WeakPolarHBondContact O-CA 3.43Å; W1614-I1673 HydrophobicContact CB-CB 4.3Å; W1614-I1673 PolarHBondContact N-O 2.98Å; W1614-I1673 PolarHBondContact O-N 2.72Å; W1614-I1683 HydrophobicContact CH2-CD1 4.4Å; W1614-I1683 HydrophobicContact CZ3-CD1 4.12Å; W1614-I1683 HydrophobicContact CZ3-CG1 4.25Å; W1614-H1689 AromaticContact CE3-CD2 3.91Å; W1614-H1689 AromaticContact CZ3-CD2 3.53Å; W1614-H1689 AromaticContact CZ3-NE2 3.98Å; W1614-Q1690 WeakPolarHBondContact CA-O 3.26Å; W1614-V1691 HydrophobicContact CD2-CG1 4.29Å; W1614-V1691 HydrophobicContact CD2-CG2 3.71Å; W1614-V1691 HydrophobicContact CE3-CG2 3.6Å; W1614-V1691 HydrophobicContact CG-CG2 4.46Å; W1614-V1691 HydrophobicContact CH2-CG2 3.81Å; W1614-V1691 HydrophobicContact CZ2-CG1 4.26Å; W1614-V1691 HydrophobicContact CZ2-CG2 3.93Å; W1614-V1691 HydrophobicContact CZ3-CG2 3.65Å; W1614-K1699 HydrophobicContact CZ2-CD 4.3Å |
| 1615 | H | 98.7 | Very high | 95 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.1 | 159.6 | -56.1 | 102 | 0 | 0 | 0 | 108.7 | G1593 Y1617 R1659 W1671 H1689 Q1690 | G1593-H1615 PolarHBondContact O-NE2 2.89Å; H1615-Y1617 HydrophobicContact CB-CE2 4.02Å; H1615-R1659 VanDerWaalsContact CE1-CZ 3.49Å; H1615-R1659 PolarHBondContact CE1-NH1 2.86Å; H1615-R1659 PolarHBondContact NE2-NE 3.42Å; H1615-W1671 WeakPolarHBondContact CA-O 3.29Å; H1615-H1689 VanDerWaalsContact O-CA 3.25Å; H1615-H1689 WeakPolarHBondContact O-CA 3.37Å; H1615-Q1690 HydrophobicContact CB-CG 3.85Å; H1615-Q1690 PolarHBondContact N-O 3.48Å; H1615-Q1690 VanDerWaalsContact N-O 3.16Å; H1615-Q1690 PolarHBondContact ND1-NE2 3.46Å; H1615-Q1690 PolarHBondContact O-N 3.39Å |
| 1616 | I | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.7 | 178.2 | -54.2 | -176.6 | 0 | 0 | 0 | 108.7 | P1414 W1614 G1670 W1671 I1673 V1681 I1683 A1687 H1689 | P1414-I1616 HydrophobicContact CB-CD1 3.88Å; P1414-I1616 HydrophobicContact CB-CG2 4.39Å; P1414-I1616 HydrophobicContact CG-CB 4.47Å; P1414-I1616 HydrophobicContact CG-CD1 4.36Å; P1414-I1616 HydrophobicContact CG-CG2 4.23Å; W1614-I1616 HydrophobicContact CE3-CD1 4.41Å; I1616-G1670 CarbonylContact O-C 3.59Å; I1616-G1670 WeakPolarHBondContact O-CA 3.37Å; I1616-W1671 HydrophobicContact CG2-CE3 4.47Å; I1616-W1671 PolarHBondContact N-O 2.78Å; I1616-W1671 PolarHBondContact O-N 3.38Å; I1616-I1673 HydrophobicContact CD1-CD1 3.86Å; I1616-I1673 HydrophobicContact CG1-CD1 4.4Å; I1616-V1681 HydrophobicContact CD1-CG1 3.84Å; I1616-I1683 HydrophobicContact CD1-CG1 4.24Å; I1616-A1687 HydrophobicContact CG2-CB 4.2Å; I1616-H1689 HydrophobicContact CB-CB 4.33Å; I1616-H1689 HydrophobicContact CG1-CB 3.95Å; I1616-H1689 HydrophobicContact CG2-CB 4.36Å |
| 1617 | Y | 98.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | trans | -121.2 | 152.4 | 177.2 | -56.1 | -86.4 | 0 | 0 | 0 | 110.4 | L1559 H1615 I1625 L1654 R1659 L1662 V1668 A1687 P1688 | L1559-Y1617 HydrophobicContact CD1-CD2 4.03Å; L1559-Y1617 HydrophobicContact CD1-CE2 3.93Å; H1615-Y1617 HydrophobicContact CB-CE2 4.02Å; Y1617-I1625 HydrophobicContact CD1-CD1 4.17Å; Y1617-I1625 HydrophobicContact CD2-CD1 4.13Å; Y1617-I1625 HydrophobicContact CG-CD1 3.73Å; Y1617-L1654 HydrophobicContact CE2-CD1 3.72Å; Y1617-R1659 WeakPolarHBondContact OH-CD 3.28Å; Y1617-R1659 WeakPolarHBondContact OH-CG 3.34Å; Y1617-L1662 HydrophobicContact CD1-CD2 4.14Å; Y1617-L1662 HydrophobicContact CE1-CD2 3.65Å; Y1617-V1668 HydrophobicContact CD1-CG1 3.93Å; Y1617-A1687 WeakPolarHBondContact O-CA 3.31Å; Y1617-A1687 WeakPolarHBondContact O-CB 3.27Å; Y1617-P1688 WeakPolarHBondContact CD2-O 3.42Å; Y1617-P1688 PolarHBondContact N-O 3.26Å; Y1617-P1688 WeakPolarHBondContact O-CD 3.32Å | ||
| 1618 | A | 97.4 | Very high | 96 | Very high | 12 Ų | 12 | 31.5 Ų | 31.5 | 10% | 0.099 | 15% | 0.149 | C | C | . | . | trans | -71.5 | 139.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1620 D1621 W1671 | A1618-K1620 HydrophobicContact CB-CD 4.33Å; A1618-K1620 HydrophobicContact CB-CG 4.02Å; A1618-K1620 PolarHBondContact O-N 2.76Å; A1618-D1621 PolarHBondContact O-N 2.98Å; A1618-W1671 HydrophobicContact CB-CH2 4.21Å; A1618-W1671 HydrophobicContact CB-CZ3 4.14Å | ||
| 1619 | A | 94.7 | Very high | 96.1 | Very high | 22 Ų | 22 | 28.4 Ų | 28.4 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -12.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1686 | A1619-G1686 VanDerWaalsContact CA-O 3.3Å; A1619-G1686 WeakPolarHBondContact CA-O 3.32Å; A1619-G1686 VanDerWaalsContact CB-C 3.46Å; A1619-G1686 VanDerWaalsContact CB-O 3.23Å; A1619-G1686 WeakPolarHBondContact CB-O 3.29Å |
| 1620 | K | 94.7 | Very high | 96 | Very high | 171 Ų | 171 | 28.4 Ų | 28.4 | 74% | 0.743 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -19.2 | 175.2 | 73.4 | -172.3 | -176.2 | -177.8 | 0 | 113.8 | A1618 | A1618-K1620 HydrophobicContact CB-CD 4.33Å; A1618-K1620 HydrophobicContact CB-CG 4.02Å; A1618-K1620 PolarHBondContact O-N 2.76Å |
| 1621 | D | 96.7 | Very high | 95.8 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 10% | 0.096 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -103.8 | 2.1 | -174.2 | -67.8 | -70.4 | 0 | 0 | 0 | 112.3 | A1618 E1623 K1624 I1625 V1668 | A1618-D1621 PolarHBondContact O-N 2.98Å; D1621-E1623 VanDerWaalsContact C-N 3.32Å; D1621-E1623 PolarHBondContact O-N 2.88Å; D1621-K1624 HydrophobicContact CB-CD 4.45Å; D1621-K1624 WeakPolarHBondContact O-CB 3.43Å; D1621-K1624 PolarHBondContact O-N 3.09Å; D1621-K1624 WeakPolarHBondContact OD1-CE 3.28Å; D1621-K1624 IonicContact OD1-NZ 3.61Å; D1621-K1624 PolarHBondContact OD1-NZ 2.98Å; D1621-I1625 PolarHBondContact O-N 3.01Å; D1621-V1668 HydrophobicContact CB-CG1 3.94Å; D1621-V1668 HydrophobicContact CB-CG2 3.9Å |
| 1622 | A | 93.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 7% | 0.066 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.3 | -39.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1561 K1624 I1625 R1626 I1647 P1688 | L1561-A1622 HydrophobicContact CD2-CB 4.46Å; A1622-K1624 PolarHBondContact O-N 2.93Å; A1622-I1625 WeakPolarHBondContact O-CB 3.48Å; A1622-I1625 PolarHBondContact O-N 2.96Å; A1622-I1625 VanDerWaalsContact O-N 3.15Å; A1622-R1626 PolarHBondContact O-N 3.48Å; A1622-I1647 HydrophobicContact CB-CD1 4.24Å; A1622-I1647 WeakPolarHBondContact O-CD1 3.4Å; A1622-P1688 HydrophobicContact CB-CG 3.69Å |
| 1623 | E | 92.1 | Very high | 95.3 | Very high | 80 Ų | 80 | 31.4 Ų | 31.4 | 37% | 0.374 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.4 | -39 | -179.9 | -165.6 | 57.8 | -142.8 | 0 | 0 | 112.6 | D1621 I1625 R1626 E1627 R1630 | D1621-E1623 VanDerWaalsContact C-N 3.32Å; D1621-E1623 PolarHBondContact O-N 2.88Å; E1623-I1625 PolarHBondContact O-N 3.17Å; E1623-R1626 CarbonylContact O-C 3.5Å; E1623-R1626 WeakPolarHBondContact O-CA 3.48Å; E1623-R1626 WeakPolarHBondContact O-CB 3.36Å; E1623-R1626 PolarHBondContact O-N 2.77Å; E1623-R1626 VanDerWaalsContact O-N 3.08Å; E1623-R1626 VanDerWaalsContact OE2-CD 3.26Å; E1623-R1626 WeakPolarHBondContact OE2-CD 3.34Å; E1623-R1626 IonicContact OE2-CZ 3.69Å; E1623-R1626 IonicContact OE2-NE 3.46Å; E1623-R1626 IonicContact OE2-NH1 2.69Å; E1623-R1626 PolarHBondContact OE2-NH1 2.89Å; E1623-E1627 WeakPolarHBondContact O-CG 3.24Å; E1623-E1627 PolarHBondContact O-N 3.42Å; E1623-R1630 IonicContact OE1-CZ 3.44Å; E1623-R1630 IonicContact OE1-NH1 2.75Å; E1623-R1630 IonicContact OE1-NH2 3.21Å; E1623-R1630 PolarHBondContact OE1-NH2 3.01Å |
| 1624 | K | 96.9 | Very high | 94.9 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 30% | 0.3 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.9 | -34.1 | 174.4 | -59.9 | 171.3 | 177 | 177.1 | 0 | 112.2 | D1621 A1622 E1627 L1628 Y1666 V1668 | D1621-K1624 HydrophobicContact CB-CD 4.45Å; D1621-K1624 WeakPolarHBondContact O-CB 3.43Å; D1621-K1624 PolarHBondContact O-N 3.09Å; D1621-K1624 WeakPolarHBondContact OD1-CE 3.28Å; D1621-K1624 IonicContact OD1-NZ 3.61Å; D1621-K1624 PolarHBondContact OD1-NZ 2.98Å; A1622-K1624 PolarHBondContact O-N 2.93Å; K1624-E1627 PolarHBondContact O-N 2.9Å; K1624-L1628 PolarHBondContact O-N 3.12Å; K1624-Y1666 HydrophobicContact CB-CD1 3.88Å; K1624-Y1666 HydrophobicContact CB-CG 4.29Å; K1624-Y1666 HydrophobicContact CG-CD1 4.35Å; K1624-Y1666 PolarHBondContact NZ-O 3.07Å; K1624-V1668 HydrophobicContact CB-CG2 4.01Å; K1624-V1668 HydrophobicContact CD-CG2 3.29Å; K1624-V1668 HydrophobicContact CG-CG2 4.36Å |
| 1625 | I | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.9 | -40 | 174.6 | -67.5 | 169.7 | 0 | 0 | 0 | 109.8 | L1559 Y1617 D1621 A1622 E1623 L1628 L1629 I1647 L1662 V1668 P1688 | L1559-I1625 HydrophobicContact CD2-CG2 3.59Å; Y1617-I1625 HydrophobicContact CD1-CD1 4.17Å; Y1617-I1625 HydrophobicContact CD2-CD1 4.13Å; Y1617-I1625 HydrophobicContact CG-CD1 3.73Å; D1621-I1625 PolarHBondContact O-N 3.01Å; A1622-I1625 WeakPolarHBondContact O-CB 3.48Å; A1622-I1625 PolarHBondContact O-N 2.96Å; A1622-I1625 VanDerWaalsContact O-N 3.15Å; E1623-I1625 PolarHBondContact O-N 3.17Å; I1625-L1628 PolarHBondContact O-N 2.81Å; I1625-L1629 HydrophobicContact CG2-CD1 3.98Å; I1625-L1629 HydrophobicContact CG2-CG 4.44Å; I1625-L1629 WeakPolarHBondContact O-CB 3.38Å; I1625-L1629 VanDerWaalsContact O-CG 3.31Å; I1625-L1629 WeakPolarHBondContact O-CG 3.46Å; I1625-L1629 PolarHBondContact O-N 3.16Å; I1625-I1647 HydrophobicContact CB-CD1 3.95Å; I1625-I1647 HydrophobicContact CG2-CD1 3.64Å; I1625-I1647 HydrophobicContact CG2-CG1 4Å; I1625-L1662 HydrophobicContact CD1-CD2 4.3Å; I1625-L1662 HydrophobicContact CG1-CD1 3.78Å; I1625-L1662 HydrophobicContact CG1-CD2 3.91Å; I1625-V1668 HydrophobicContact CD1-CG1 4.49Å; I1625-P1688 HydrophobicContact CD1-CB 4.25Å; I1625-P1688 HydrophobicContact CD1-CG 4.21Å |
| 1626 | R | 93.1 | Very high | 94.2 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 9% | 0.087 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 171.5 | -62.7 | 167.7 | 177.3 | 147.3 | -11.4 | 112.7 | A1622 E1623 L1629 R1630 D1645 I1647 E1719 | A1622-R1626 PolarHBondContact O-N 3.48Å; E1623-R1626 CarbonylContact O-C 3.5Å; E1623-R1626 WeakPolarHBondContact O-CA 3.48Å; E1623-R1626 WeakPolarHBondContact O-CB 3.36Å; E1623-R1626 PolarHBondContact O-N 2.77Å; E1623-R1626 VanDerWaalsContact O-N 3.08Å; E1623-R1626 VanDerWaalsContact OE2-CD 3.26Å; E1623-R1626 WeakPolarHBondContact OE2-CD 3.34Å; E1623-R1626 IonicContact OE2-CZ 3.69Å; E1623-R1626 IonicContact OE2-NE 3.46Å; E1623-R1626 IonicContact OE2-NH1 2.69Å; E1623-R1626 PolarHBondContact OE2-NH1 2.89Å; R1626-L1629 PolarHBondContact O-N 2.92Å; R1626-R1630 VanDerWaalsContact O-CB 3.3Å; R1626-R1630 WeakPolarHBondContact O-CB 3.39Å; R1626-R1630 VanDerWaalsContact O-CG 3.31Å; R1626-R1630 WeakPolarHBondContact O-CG 3.39Å; R1626-R1630 PolarHBondContact O-N 2.83Å; R1626-R1630 PolarHBondContact O-NE 2.95Å; R1626-R1630 VanDerWaalsContact O-NE 3.12Å; R1626-D1645 WeakPolarHBondContact CG-OD1 3.48Å; R1626-D1645 IonicContact CZ-OD2 2.67Å; R1626-D1645 IonicContact NE-OD1 3.36Å; R1626-D1645 PolarHBondContact NE-OD1 3.13Å; R1626-D1645 VanDerWaalsContact NE-OD1 3.08Å; R1626-D1645 IonicContact NE-OD2 2.96Å; R1626-D1645 PolarHBondContact NE-OD2 3.48Å; R1626-D1645 IonicContact NH2-OD2 2.74Å; R1626-D1645 PolarHBondContact NH2-OD2 3.02Å; R1626-I1647 HydrophobicContact CG-CD1 3.74Å; R1626-I1647 HydrophobicContact CG-CG1 3.99Å; R1626-E1719 IonicContact NH2-OE2 2.73Å |
| 1627 | E | 93.6 | Very high | 93.7 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 40% | 0.402 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 174.1 | -71.4 | 168.9 | 178.5 | 0 | 0 | 111 | E1623 K1624 K1631 Y1666 | E1623-E1627 WeakPolarHBondContact O-CG 3.24Å; E1623-E1627 PolarHBondContact O-N 3.42Å; K1624-E1627 PolarHBondContact O-N 2.9Å; E1627-K1631 WeakPolarHBondContact O-CB 3.49Å; E1627-K1631 PolarHBondContact O-N 2.88Å; E1627-K1631 VanDerWaalsContact O-N 3.15Å; E1627-Y1666 HydrophobicContact CB-CE1 3.64Å; E1627-Y1666 WeakPolarHBondContact OE2-CE1 3.45Å |
| 1628 | L | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 174.6 | 176 | 66.1 | 0 | 0 | 0 | 111.8 | K1624 I1625 K1631 V1632 R1661 L1662 Y1666 | K1624-L1628 PolarHBondContact O-N 3.12Å; I1625-L1628 PolarHBondContact O-N 2.81Å; L1628-K1631 WeakPolarHBondContact O-CB 3.22Å; L1628-K1631 PolarHBondContact O-N 2.91Å; L1628-V1632 HydrophobicContact CD1-CG2 3.83Å; L1628-V1632 HydrophobicContact CG-CG2 4.16Å; L1628-V1632 WeakPolarHBondContact O-CB 3.22Å; L1628-V1632 VanDerWaalsContact O-CG2 3.23Å; L1628-V1632 WeakPolarHBondContact O-CG2 3.24Å; L1628-V1632 PolarHBondContact O-N 2.75Å; L1628-R1661 HydrophobicContact CD1-CG 4.1Å; L1628-L1662 HydrophobicContact CD2-CB 3.58Å; L1628-L1662 HydrophobicContact CD2-CD1 3.86Å; L1628-L1662 HydrophobicContact CD2-CG 4.23Å; L1628-Y1666 HydrophobicContact CB-CD2 4.09Å; L1628-Y1666 HydrophobicContact CB-CE2 3.69Å; L1628-Y1666 HydrophobicContact CD1-CD2 4.39Å; L1628-Y1666 HydrophobicContact CD1-CE2 3.85Å; L1628-Y1666 HydrophobicContact CG-CE2 4.32Å |
| 1629 | L | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.5 | -32.8 | -173.6 | -72.2 | -179.8 | 0 | 0 | 0 | 113 | L1559 I1625 R1626 V1632 G1633 P1646 W1652 L1654 | L1559-L1629 HydrophobicContact CD2-CD1 3.95Å; I1625-L1629 HydrophobicContact CG2-CD1 3.98Å; I1625-L1629 HydrophobicContact CG2-CG 4.44Å; I1625-L1629 WeakPolarHBondContact O-CB 3.38Å; I1625-L1629 VanDerWaalsContact O-CG 3.31Å; I1625-L1629 WeakPolarHBondContact O-CG 3.46Å; I1625-L1629 PolarHBondContact O-N 3.16Å; R1626-L1629 PolarHBondContact O-N 2.92Å; L1629-V1632 PolarHBondContact O-N 3.28Å; L1629-G1633 PolarHBondContact O-N 3.21Å; L1629-P1646 HydrophobicContact CB-CB 3.77Å; L1629-P1646 HydrophobicContact CB-CG 3.4Å; L1629-P1646 VanDerWaalsContact CB-CG 3.4Å; L1629-P1646 HydrophobicContact CD1-CB 4.14Å; L1629-P1646 HydrophobicContact CD1-CG 4.24Å; L1629-P1646 HydrophobicContact CG-CG 4.47Å; L1629-W1652 HydrophobicContact CD1-CB 3.98Å; L1629-W1652 HydrophobicContact CD1-CG 3.95Å; L1629-W1652 HydrophobicContact CD2-CB 4.09Å; L1629-W1652 HydrophobicContact CD2-CD2 3.66Å; L1629-W1652 HydrophobicContact CD2-CE3 3.84Å; L1629-W1652 HydrophobicContact CD2-CG 3.76Å; L1629-W1652 HydrophobicContact CG-CG 4.36Å; L1629-L1654 HydrophobicContact CD2-CD2 3.87Å |
| 1630 | R | 90.8 | Very high | 90.6 | Very high | 79 Ų | 79 | 66.1 Ų | 66.1 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 169.3 | -76.7 | 177.6 | -70 | -159.9 | -4.9 | 111 | E1623 R1626 V1632 G1633 E1634 P1646 | E1623-R1630 IonicContact OE1-CZ 3.44Å; E1623-R1630 IonicContact OE1-NH1 2.75Å; E1623-R1630 IonicContact OE1-NH2 3.21Å; E1623-R1630 PolarHBondContact OE1-NH2 3.01Å; R1626-R1630 VanDerWaalsContact O-CB 3.3Å; R1626-R1630 WeakPolarHBondContact O-CB 3.39Å; R1626-R1630 VanDerWaalsContact O-CG 3.31Å; R1626-R1630 WeakPolarHBondContact O-CG 3.39Å; R1626-R1630 PolarHBondContact O-N 2.83Å; R1626-R1630 PolarHBondContact O-NE 2.95Å; R1626-R1630 VanDerWaalsContact O-NE 3.12Å; R1630-V1632 PolarHBondContact O-N 3.02Å; R1630-G1633 PolarHBondContact O-N 3.49Å; R1630-E1634 PolarHBondContact O-N 3.01Å; R1630-P1646 HydrophobicContact CG-CG 4.36Å |
| 1631 | K | 92.8 | Very high | 89.4 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 30% | 0.3 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 175.6 | 176.8 | -176.7 | 175.2 | -173.9 | 0 | 112.6 | E1627 L1628 E1634 E1635 E1665 | E1627-K1631 WeakPolarHBondContact O-CB 3.49Å; E1627-K1631 PolarHBondContact O-N 2.88Å; E1627-K1631 VanDerWaalsContact O-N 3.15Å; L1628-K1631 WeakPolarHBondContact O-CB 3.22Å; L1628-K1631 PolarHBondContact O-N 2.91Å; K1631-E1634 PolarHBondContact O-N 3.42Å; K1631-E1635 WeakPolarHBondContact CE-OE1 3.35Å; K1631-E1635 WeakPolarHBondContact O-CB 3.29Å; K1631-E1635 VanDerWaalsContact O-CG 3.27Å; K1631-E1635 WeakPolarHBondContact O-CG 3.38Å; K1631-E1635 PolarHBondContact O-N 2.98Å; K1631-E1665 IonicContact NZ-OE1 3.73Å; K1631-E1665 PolarHBondContact NZ-OE1 2.88Å; K1631-E1665 IonicContact NZ-OE2 3.67Å; K1631-E1665 PolarHBondContact NZ-OE2 2.91Å |
| 1632 | V | 94 | Very high | 87.9 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.2 | -33.9 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | L1628 L1629 R1630 Q1636 W1652 L1658 | L1628-V1632 HydrophobicContact CD1-CG2 3.83Å; L1628-V1632 HydrophobicContact CG-CG2 4.16Å; L1628-V1632 WeakPolarHBondContact O-CB 3.22Å; L1628-V1632 VanDerWaalsContact O-CG2 3.23Å; L1628-V1632 WeakPolarHBondContact O-CG2 3.24Å; L1628-V1632 PolarHBondContact O-N 2.75Å; L1629-V1632 PolarHBondContact O-N 3.28Å; R1630-V1632 PolarHBondContact O-N 3.02Å; V1632-Q1636 WeakPolarHBondContact O-CB 3.4Å; V1632-Q1636 VanDerWaalsContact O-CG 3.27Å; V1632-Q1636 WeakPolarHBondContact O-CG 3.37Å; V1632-Q1636 PolarHBondContact O-N 3.37Å; V1632-W1652 HydrophobicContact CB-CH2 4.41Å; V1632-W1652 HydrophobicContact CG1-CH2 3.68Å; V1632-W1652 HydrophobicContact CG1-CZ3 3.65Å; V1632-L1658 HydrophobicContact CG1-CD2 4.03Å; V1632-L1658 HydrophobicContact CG2-CD2 4.08Å |
| 1633 | G | 90.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.8 | -48 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1629 R1630 Q1636 G1637 Q1638 | L1629-G1633 PolarHBondContact O-N 3.21Å; R1630-G1633 PolarHBondContact O-N 3.49Å; G1633-Q1636 CarbonylContact O-C 3.41Å; G1633-Q1636 WeakPolarHBondContact O-CA 3.22Å; G1633-Q1636 PolarHBondContact O-N 3.1Å; G1633-Q1636 VanDerWaalsContact O-N 3.07Å; G1633-G1637 PolarHBondContact O-N 3.2Å; G1633-G1637 VanDerWaalsContact O-N 3.08Å; G1633-Q1638 WeakPolarHBondContact O-CB 3.4Å; G1633-Q1638 PolarHBondContact O-N 3.35Å |
| 1634 | E | 90.1 | Very high | 85.6 | Confident | 151 Ų | 151 | 68.2 Ų | 68.2 | 71% | 0.706 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.7 | -47.1 | 174.6 | -175.6 | -177.9 | -171.8 | 0 | 0 | 111.6 | R1630 K1631 Q1636 G1637 | R1630-E1634 PolarHBondContact O-N 3.01Å; K1631-E1634 PolarHBondContact O-N 3.42Å; E1634-Q1636 PolarHBondContact O-N 3.25Å; E1634-G1637 PolarHBondContact O-N 3.03Å |
| 1635 | E | 93.5 | Very high | 84.9 | Confident | 109 Ų | 109 | 65.7 Ų | 65.7 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.7 | -22.4 | 174.8 | -73.4 | 172.2 | -173.7 | 0 | 0 | 113.5 | K1631 R1661 | K1631-E1635 WeakPolarHBondContact CE-OE1 3.35Å; K1631-E1635 WeakPolarHBondContact O-CB 3.29Å; K1631-E1635 VanDerWaalsContact O-CG 3.27Å; K1631-E1635 WeakPolarHBondContact O-CG 3.38Å; K1631-E1635 PolarHBondContact O-N 2.98Å; E1635-R1661 IonicContact OE1-CZ 3.81Å; E1635-R1661 IonicContact OE1-NH1 2.67Å; E1635-R1661 IonicContact OE1-NH2 2.76Å; E1635-R1661 PolarHBondContact OE1-NH2 3.28Å; E1635-R1661 IonicContact OE2-CZ 3.37Å; E1635-R1661 IonicContact OE2-NH1 3.59Å; E1635-R1661 PolarHBondContact OE2-NH1 2.84Å; E1635-R1661 IonicContact OE2-NH2 3.2Å; E1635-R1661 PolarHBondContact OE2-NH2 3.09Å |
| 1636 | Q | 90.4 | Very high | 84.3 | Confident | 124 Ų | 124 | 65.7 Ų | 65.7 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 3.2 | 174.2 | -69.6 | 179 | 25.7 | 0 | 0 | 113.5 | V1632 G1633 E1634 | V1632-Q1636 WeakPolarHBondContact O-CB 3.4Å; V1632-Q1636 VanDerWaalsContact O-CG 3.27Å; V1632-Q1636 WeakPolarHBondContact O-CG 3.37Å; V1632-Q1636 PolarHBondContact O-N 3.37Å; G1633-Q1636 CarbonylContact O-C 3.41Å; G1633-Q1636 WeakPolarHBondContact O-CA 3.22Å; G1633-Q1636 PolarHBondContact O-N 3.1Å; G1633-Q1636 VanDerWaalsContact O-N 3.07Å; E1634-Q1636 PolarHBondContact O-N 3.25Å |
| 1637 | G | 86.6 | Confident | 84 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 19.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G1633 E1634 E1639 | G1633-G1637 PolarHBondContact O-N 3.2Å; G1633-G1637 VanDerWaalsContact O-N 3.08Å; E1634-G1637 PolarHBondContact O-N 3.03Å; G1637-E1639 PolarHBondContact O-N 3.06Å |
| 1638 | Q | 78.7 | Confident | 83.3 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | trans | -80 | 111.7 | 172.1 | -58.8 | -179 | -6.1 | 0 | 0 | 110.4 | G1633 N1640 | G1633-Q1638 WeakPolarHBondContact O-CB 3.4Å; G1633-Q1638 PolarHBondContact O-N 3.35Å; Q1638-N1640 WeakPolarHBondContact CB-ND2 3.37Å; Q1638-N1640 PolarHBondContact O-N 3.18Å; Q1638-N1640 PolarHBondContact OE1-ND2 2.99Å | ||
| 1639 | E | 76.3 | Confident | 82.3 | Confident | 199 Ų | 199 | 63.1 Ų | 63.1 | 93% | 0.93 | 33% | 0.332 | S | S | * | . | trans | -80.1 | 69.2 | 175.6 | -166.1 | 169.2 | -153.8 | 0 | 0 | 110.7 | G1637 | G1637-E1639 PolarHBondContact O-N 3.06Š| ||
| 1640 | N | 71.8 | Confident | 81.7 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 31% | 0.31 | 34% | 0.339 | S | S | . | . | trans | -83.9 | 138.1 | -173.6 | -70.3 | -22.7 | 0 | 0 | 0 | 112.3 | Q1638 H1644 | Q1638-N1640 WeakPolarHBondContact CB-ND2 3.37Å; Q1638-N1640 PolarHBondContact O-N 3.18Å; Q1638-N1640 PolarHBondContact OE1-ND2 2.99Å; N1640-H1644 HydrophobicContact CB-CB 4.07Å; N1640-H1644 VanDerWaalsContact CB-CD2 3.46Å; N1640-H1644 WeakPolarHBondContact CB-CD2 3.44Å; N1640-H1644 PolarHBondContact ND2-NE2 3.23Å; N1640-H1644 PolarHBondContact OD1-CD2 2.98Å | ||
| 1641 | P | 69.9 | Low | 81.4 | Confident | 72 Ų | 72 | 63.1 Ų | 63.1 | 47% | 0.468 | 34% | 0.342 | S | S | . | . | trans | -57.4 | 152.4 | 172.4 | -26.8 | 35.7 | 0 | 0 | 0 | 113.4 | D1643 H1644 | P1641-D1643 WeakPolarHBondContact CB-OD1 3.22Å; P1641-D1643 PolarHBondContact O-N 3.41Å; P1641-D1643 VanDerWaalsContact O-N 3.12Å; P1641-H1644 WeakPolarHBondContact O-CB 3.45Å; P1641-H1644 PolarHBondContact O-N 3.44Å | ||
| 1642 | P | 65.1 | Low | 81.4 | Confident | 119 Ų | 119 | 60.9 Ų | 60.9 | 77% | 0.773 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.7 | -179.8 | -24.3 | 35 | 0 | 0 | 0 | 114.7 | ||
| 1643 | D | 65.8 | Low | 81.5 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 51% | 0.508 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 0.3 | 177.7 | 57.7 | -50.1 | 0 | 0 | 0 | 114.3 | P1641 D1645 | P1641-D1643 WeakPolarHBondContact CB-OD1 3.22Å; P1641-D1643 PolarHBondContact O-N 3.41Å; P1641-D1643 VanDerWaalsContact O-N 3.12Å; D1643-D1645 PolarHBondContact O-N 3.44Å |
| 1644 | H | 71.8 | Confident | 81.9 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | trans | -61 | 126.4 | 172.2 | -178.5 | -46.5 | 0 | 0 | 0 | 111 | N1640 P1641 P1646 D1649 | N1640-H1644 HydrophobicContact CB-CB 4.07Å; N1640-H1644 VanDerWaalsContact CB-CD2 3.46Å; N1640-H1644 WeakPolarHBondContact CB-CD2 3.44Å; N1640-H1644 PolarHBondContact ND2-NE2 3.23Å; N1640-H1644 PolarHBondContact OD1-CD2 2.98Å; P1641-H1644 WeakPolarHBondContact O-CB 3.45Å; P1641-H1644 PolarHBondContact O-N 3.44Å; H1644-P1646 WeakPolarHBondContact O-CD 3.34Å; H1644-D1649 IonicContact CE1-OD2 2.67Å; H1644-D1649 PolarHBondContact CE1-OD2 2.91Å; H1644-D1649 IonicContact CG-OD2 3.27Å; H1644-D1649 IonicContact ND1-OD2 3.98Å; H1644-D1649 PolarHBondContact ND1-OD2 2.93Å; H1644-D1649 IonicContact NE2-OD2 2.71Å | ||
| 1645 | D | 80.8 | Confident | 82.2 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.08 | 30% | 0.303 | C | S | . | . | trans | -114.1 | 94.6 | 177.3 | -176.4 | -13.8 | 0 | 0 | 0 | 111 | R1626 D1643 I1647 H1648 D1649 | R1626-D1645 WeakPolarHBondContact CG-OD1 3.48Å; R1626-D1645 IonicContact CZ-OD2 2.67Å; R1626-D1645 IonicContact NE-OD1 3.36Å; R1626-D1645 PolarHBondContact NE-OD1 3.13Å; R1626-D1645 VanDerWaalsContact NE-OD1 3.08Å; R1626-D1645 IonicContact NE-OD2 2.96Å; R1626-D1645 PolarHBondContact NE-OD2 3.48Å; R1626-D1645 IonicContact NH2-OD2 2.74Å; R1626-D1645 PolarHBondContact NH2-OD2 3.02Å; D1643-D1645 PolarHBondContact O-N 3.44Å; D1645-I1647 PolarHBondContact O-N 3.3Å; D1645-I1647 WeakPolarHBondContact OD1-CB 3.45Å; D1645-I1647 PolarHBondContact OD1-N 2.77Å; D1645-H1648 HydrophobicContact CB-CB 4.04Å; D1645-H1648 VanDerWaalsContact CG-CD2 3.48Å; D1645-H1648 WeakPolarHBondContact O-CA 3.44Å; D1645-H1648 PolarHBondContact O-N 3.39Å; D1645-H1648 PolarHBondContact OD1-N 3.17Å; D1645-H1648 IonicContact OD2-CD2 2.67Å; D1645-H1648 PolarHBondContact OD2-CD2 3.22Å; D1645-H1648 IonicContact OD2-CG 2.67Å; D1645-H1648 IonicContact OD2-NE2 2.73Å; D1645-D1649 VanDerWaalsContact C-OD2 3.26Å; D1645-D1649 PolarHBondContact O-N 2.98Å | ||
| 1646 | P | 84.5 | Confident | 82.4 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -7.6 | -174.6 | 27.7 | -36 | 0 | 0 | 0 | 115.1 | L1629 R1630 H1644 | L1629-P1646 HydrophobicContact CB-CB 3.77Å; L1629-P1646 HydrophobicContact CB-CG 3.4Å; L1629-P1646 VanDerWaalsContact CB-CG 3.4Å; L1629-P1646 HydrophobicContact CD1-CB 4.14Å; L1629-P1646 HydrophobicContact CD1-CG 4.24Å; L1629-P1646 HydrophobicContact CG-CG 4.47Å; R1630-P1646 HydrophobicContact CG-CG 4.36Å; H1644-P1646 WeakPolarHBondContact O-CD 3.34Å |
| 1647 | I | 87.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -36.6 | 169.8 | -53 | 179.1 | 0 | 0 | 0 | 110.4 | L1561 A1622 I1625 R1626 D1645 P1688 | L1561-I1647 HydrophobicContact CB-CG2 4.41Å; L1561-I1647 HydrophobicContact CD2-CG2 4.05Å; L1561-I1647 HydrophobicContact CG-CG2 4.08Å; A1622-I1647 HydrophobicContact CB-CD1 4.24Å; A1622-I1647 WeakPolarHBondContact O-CD1 3.4Å; I1625-I1647 HydrophobicContact CB-CD1 3.95Å; I1625-I1647 HydrophobicContact CG2-CD1 3.64Å; I1625-I1647 HydrophobicContact CG2-CG1 4Å; R1626-I1647 HydrophobicContact CG-CD1 3.74Å; R1626-I1647 HydrophobicContact CG-CG1 3.99Å; D1645-I1647 PolarHBondContact O-N 3.3Å; D1645-I1647 WeakPolarHBondContact OD1-CB 3.45Å; D1645-I1647 PolarHBondContact OD1-N 2.77Å; I1647-P1688 HydrophobicContact CD1-CB 4.48Å; I1647-P1688 HydrophobicContact CD1-CG 4.29Å; I1647-P1688 HydrophobicContact CG2-CB 4.41Å |
| 1648 | H | 77.7 | Confident | 83.2 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 2% | 0.023 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -30.2 | 175.5 | -76.9 | -38.9 | 0 | 0 | 0 | 112.5 | D1645 Q1650 F1720 L1723 H1727 | D1645-H1648 HydrophobicContact CB-CB 4.04Å; D1645-H1648 VanDerWaalsContact CG-CD2 3.48Å; D1645-H1648 WeakPolarHBondContact O-CA 3.44Å; D1645-H1648 PolarHBondContact O-N 3.39Å; D1645-H1648 PolarHBondContact OD1-N 3.17Å; D1645-H1648 IonicContact OD2-CD2 2.67Å; D1645-H1648 PolarHBondContact OD2-CD2 3.22Å; D1645-H1648 IonicContact OD2-CG 2.67Å; D1645-H1648 IonicContact OD2-NE2 2.73Å; H1648-Q1650 PolarHBondContact O-N 2.86Å; H1648-F1720 AromaticContact CE1-CE1 3.56Å; H1648-F1720 AromaticContact CE1-CE2 3.44Å; H1648-F1720 VanDerWaalsContact CE1-CE2 3.44Å; H1648-F1720 WeakPolarHBondContact CE1-CE2 3.46Å; H1648-F1720 AromaticContact CE1-CZ 3.2Å; H1648-F1720 WeakPolarHBondContact CE1-CZ 3.36Å; H1648-F1720 AromaticContact ND1-CE1 3.55Å; H1648-F1720 AromaticContact ND1-CZ 3.44Å; H1648-F1720 WeakPolarHBondContact ND1-CZ 3.43Å; H1648-L1723 HydrophobicContact CB-CD1 4.19Å; H1648-L1723 VanDerWaalsContact CD2-CD1 3.48Å; H1648-L1723 WeakPolarHBondContact CD2-CD1 3.22Å; H1648-H1727 VanDerWaalsContact CA-NE2 3.28Å; H1648-H1727 WeakPolarHBondContact CA-NE2 3.47Å; H1648-H1727 VanDerWaalsContact CB-NE2 3.28Å; H1648-H1727 WeakPolarHBondContact CB-NE2 3.46Å; H1648-H1727 PolarHBondContact O-NE2 3.26Å |
| 1649 | D | 74.7 | Confident | 84.1 | Confident | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -5.9 | 176.4 | -58.7 | -48.5 | 0 | 0 | 0 | 113.9 | C529 H1644 D1645 S1651 H1727 | C529-D1649 WeakPolarHBondContact CB-O 3.43Å; H1644-D1649 IonicContact CE1-OD2 2.67Å; H1644-D1649 PolarHBondContact CE1-OD2 2.91Å; H1644-D1649 IonicContact CG-OD2 3.27Å; H1644-D1649 IonicContact ND1-OD2 3.98Å; H1644-D1649 PolarHBondContact ND1-OD2 2.93Å; H1644-D1649 IonicContact NE2-OD2 2.71Å; D1645-D1649 VanDerWaalsContact C-OD2 3.26Å; D1645-D1649 PolarHBondContact O-N 2.98Å; D1649-S1651 PolarHBondContact O-N 2.75Å; D1649-H1727 PolarHBondContact N-NE2 3.5Å; D1649-H1727 IonicContact OD1-CD2 3.51Å; D1649-H1727 IonicContact OD1-NE2 3.45Å |
| 1650 | Q | 82.7 | Confident | 85.2 | Confident | 29 Ų | 29 | 44.4 Ų | 44.4 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 24.3 | 176.4 | -45.3 | -164.8 | -15.6 | 0 | 0 | 114.8 | C529 N1558 H1560 H1648 | C529-Q1650 HydrophobicContact CB-CB 3.95Å; C529-Q1650 HydrophobicContact CB-CG 4.18Å; N1558-Q1650 WeakPolarHBondContact CB-O 3.48Å; N1558-Q1650 PolarHBondContact ND2-O 2.89Å; H1560-Q1650 HydrophobicContact CB-CB 4.48Å; H1560-Q1650 HydrophobicContact CB-CG 3.79Å; H1648-Q1650 PolarHBondContact O-N 2.86Å |
| 1651 | S | 84.3 | Confident | 86.4 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | trans | -88.5 | -12.9 | -168.7 | 48.7 | 0 | 0 | 0 | 0 | 114.5 | D1649 | D1649-S1651 PolarHBondContact O-N 2.75Š| ||
| 1652 | W | 93 | Very high | 87.8 | Confident | 21 Ų | 21 | 40.7 Ų | 40.7 | 8% | 0.08 | 21% | 0.212 | C | C | . | . | trans | -111.9 | 140.9 | -171.3 | -66.8 | 88.3 | 0 | 0 | 0 | 113.8 | N1558 L1559 L1629 V1632 L1658 | N1558-W1652 WeakPolarHBondContact CB-O 3.39Å; L1559-W1652 VanDerWaalsContact CB-O 3.3Å; L1559-W1652 WeakPolarHBondContact CB-O 3.35Å; L1559-W1652 PolarHBondContact N-O 3.12Å; L1629-W1652 HydrophobicContact CD1-CB 3.98Å; L1629-W1652 HydrophobicContact CD1-CG 3.95Å; L1629-W1652 HydrophobicContact CD2-CB 4.09Å; L1629-W1652 HydrophobicContact CD2-CD2 3.66Å; L1629-W1652 HydrophobicContact CD2-CE3 3.84Å; L1629-W1652 HydrophobicContact CD2-CG 3.76Å; L1629-W1652 HydrophobicContact CG-CG 4.36Å; V1632-W1652 HydrophobicContact CB-CH2 4.41Å; V1632-W1652 HydrophobicContact CG1-CH2 3.68Å; V1632-W1652 HydrophobicContact CG1-CZ3 3.65Å; W1652-L1658 HydrophobicContact CE3-CD1 4.24Å; W1652-L1658 HydrophobicContact CZ3-CD1 4.48Å | ||
| 1653 | Y | 96.4 | Very high | 89.3 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | trans | -116.2 | 126.2 | 160.5 | 178.9 | -98.6 | 0 | 0 | 0 | 109 | R1553 G1555 D1655 Q1690 H1692 | R1553-Y1653 WeakPolarHBondContact O-CD1 3.45Å; G1555-Y1653 VanDerWaalsContact CA-CD2 3.48Å; Y1653-D1655 PolarHBondContact O-N 3Å; Y1653-D1655 VanDerWaalsContact O-N 3.1Å; Y1653-Q1690 HydrophobicContact CD2-CB 4.07Å; Y1653-Q1690 HydrophobicContact CD2-CG 4.14Å; Y1653-Q1690 HydrophobicContact CE2-CB 4.22Å; Y1653-Q1690 HydrophobicContact CE2-CG 3.92Å; Y1653-H1692 HydrophobicContact CE2-CB 4.13Å; Y1653-H1692 WeakPolarHBondContact OH-CB 3.33Å | ||
| 1654 | L | 97.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -79.8 | 92.6 | 178.7 | -56.1 | 175.8 | 0 | 0 | 0 | 109.4 | L1559 Y1617 L1629 L1658 R1659 L1662 Q1690 | L1559-L1654 HydrophobicContact CD1-CD1 4.12Å; L1559-L1654 HydrophobicContact CD2-CD1 3.72Å; L1559-L1654 HydrophobicContact CD2-CD2 4.4Å; L1559-L1654 HydrophobicContact CD2-CG 3.97Å; Y1617-L1654 HydrophobicContact CE2-CD1 3.72Å; L1629-L1654 HydrophobicContact CD2-CD2 3.87Å; L1654-L1658 HydrophobicContact CB-CB 4.28Å; L1654-L1658 HydrophobicContact CD2-CB 3.91Å; L1654-L1658 HydrophobicContact CD2-CD1 4.2Å; L1654-R1659 HydrophobicContact CB-CG 3.7Å; L1654-R1659 WeakPolarHBondContact O-CG 3.47Å; L1654-R1659 PolarHBondContact O-NH1 3.49Å; L1654-L1662 HydrophobicContact CD1-CD2 3.92Å; L1654-Q1690 PolarHBondContact O-NE2 2.86Å | ||
| 1655 | D | 97 | Very high | 92.1 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | trans | -65.3 | 175.2 | 169 | 77.9 | 18.3 | 0 | 0 | 0 | 112.1 | R1553 Y1653 T1657 L1658 R1659 | R1553-D1655 HydrophobicContact CB-CB 4.43Å; R1553-D1655 HydrophobicContact CG-CB 4.34Å; R1553-D1655 IonicContact CZ-OD2 2.67Å; R1553-D1655 IonicContact NE-OD2 3.18Å; R1553-D1655 PolarHBondContact NE-OD2 3.34Å; R1553-D1655 IonicContact NH2-OD2 3.02Å; R1553-D1655 PolarHBondContact NH2-OD2 2.95Å; Y1653-D1655 PolarHBondContact O-N 3Å; Y1653-D1655 VanDerWaalsContact O-N 3.1Å; D1655-T1657 PolarHBondContact O-N 2.95Å; D1655-T1657 VanDerWaalsContact O-N 3.17Å; D1655-T1657 WeakPolarHBondContact OD1-CA 3.35Å; D1655-T1657 WeakPolarHBondContact OD1-CB 3.49Å; D1655-T1657 PolarHBondContact OD1-N 3.26Å; D1655-L1658 PolarHBondContact O-N 3.1Å; D1655-L1658 VanDerWaalsContact O-N 3.12Å; D1655-L1658 PolarHBondContact OD1-N 3.38Å; D1655-R1659 VanDerWaalsContact C-NH1 3.35Å; D1655-R1659 WeakPolarHBondContact O-CG 3.25Å; D1655-R1659 PolarHBondContact O-N 3.49Å | ||
| 1656 | Q | 97.1 | Very high | 92.9 | Very high | 91 Ų | 91 | 47.4 Ų | 47.4 | 43% | 0.425 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55.3 | -35.2 | -178.1 | -169.2 | -172.9 | 53 | 0 | 0 | 112.9 | K1660 | Q1656-K1660 VanDerWaalsContact O-CB 3.22Å; Q1656-K1660 WeakPolarHBondContact O-CB 3.27Å; Q1656-K1660 PolarHBondContact O-N 3.19Å |
| 1657 | T | 97.1 | Very high | 93.5 | Very high | 99 Ų | 99 | 50 Ų | 50 | 61% | 0.607 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -68.5 | -47.4 | 178.5 | -46.5 | 0 | 0 | 0 | 0 | 110.4 | D1655 R1661 | D1655-T1657 PolarHBondContact O-N 2.95Å; D1655-T1657 VanDerWaalsContact O-N 3.17Å; D1655-T1657 WeakPolarHBondContact OD1-CA 3.35Å; D1655-T1657 WeakPolarHBondContact OD1-CB 3.49Å; D1655-T1657 PolarHBondContact OD1-N 3.26Å; T1657-R1661 VanDerWaalsContact O-CB 3.27Å; T1657-R1661 WeakPolarHBondContact O-CB 3.27Å; T1657-R1661 PolarHBondContact O-N 3.19Å |
| 1658 | L | 97.7 | Very high | 94 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 180 | -66.1 | -179.7 | 0 | 0 | 0 | 112.4 | V1632 W1652 L1654 D1655 R1661 L1662 | V1632-L1658 HydrophobicContact CG1-CD2 4.03Å; V1632-L1658 HydrophobicContact CG2-CD2 4.08Å; W1652-L1658 HydrophobicContact CE3-CD1 4.24Å; W1652-L1658 HydrophobicContact CZ3-CD1 4.48Å; L1654-L1658 HydrophobicContact CB-CB 4.28Å; L1654-L1658 HydrophobicContact CD2-CB 3.91Å; L1654-L1658 HydrophobicContact CD2-CD1 4.2Å; D1655-L1658 PolarHBondContact O-N 3.1Å; D1655-L1658 VanDerWaalsContact O-N 3.12Å; D1655-L1658 PolarHBondContact OD1-N 3.38Å; L1658-R1661 PolarHBondContact O-N 3.04Å; L1658-L1662 VanDerWaalsContact O-CB 3.24Å; L1658-L1662 WeakPolarHBondContact O-CB 3.42Å; L1658-L1662 PolarHBondContact O-N 3.2Å |
| 1659 | R | 98.2 | Very high | 94.9 | Very high | 20 Ų | 20 | 55 Ų | 55 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 175.1 | -64.5 | -166.5 | -48.8 | -86.6 | 1 | 112.2 | E1592 D1594 H1615 Y1617 L1654 D1655 L1662 Y1663 | E1592-R1659 PolarHBondContact O-NH2 3.22Å; D1594-R1659 IonicContact OD2-CZ 2.65Å; D1594-R1659 IonicContact OD2-NE 3.1Å; D1594-R1659 PolarHBondContact OD2-NE 3.25Å; D1594-R1659 IonicContact OD2-NH2 3.41Å; D1594-R1659 PolarHBondContact OD2-NH2 2.75Å; H1615-R1659 VanDerWaalsContact CE1-CZ 3.49Å; H1615-R1659 PolarHBondContact CE1-NH1 2.86Å; H1615-R1659 PolarHBondContact NE2-NE 3.42Å; Y1617-R1659 WeakPolarHBondContact OH-CD 3.28Å; Y1617-R1659 WeakPolarHBondContact OH-CG 3.34Å; L1654-R1659 HydrophobicContact CB-CG 3.7Å; L1654-R1659 WeakPolarHBondContact O-CG 3.47Å; L1654-R1659 PolarHBondContact O-NH1 3.49Å; D1655-R1659 VanDerWaalsContact C-NH1 3.35Å; D1655-R1659 WeakPolarHBondContact O-CG 3.25Å; D1655-R1659 PolarHBondContact O-N 3.49Å; R1659-L1662 PolarHBondContact O-N 3.24Å; R1659-Y1663 PolarHBondContact O-N 2.83Å; R1659-Y1663 VanDerWaalsContact O-N 3.11Å |
| 1660 | K | 97.9 | Very high | 95.9 | Very high | 123 Ų | 123 | 53.2 Ų | 53.2 | 54% | 0.535 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 174.3 | 179.5 | 178.6 | 171.8 | -177.5 | 0 | 111.1 | Q1656 L1662 Y1663 E1664 | Q1656-K1660 VanDerWaalsContact O-CB 3.22Å; Q1656-K1660 WeakPolarHBondContact O-CB 3.27Å; Q1656-K1660 PolarHBondContact O-N 3.19Å; K1660-L1662 PolarHBondContact O-N 3.47Å; K1660-Y1663 WeakPolarHBondContact O-CB 3.45Å; K1660-Y1663 PolarHBondContact O-N 2.95Å; K1660-E1664 WeakPolarHBondContact CE-OE1 3.43Å; K1660-E1664 WeakPolarHBondContact CE-OE2 3.48Å; K1660-E1664 HydrophobicContact CG-CG 4.35Å; K1660-E1664 IonicContact NZ-OE1 3.23Å; K1660-E1664 WeakPolarHBondContact O-CG 3.4Å; K1660-E1664 PolarHBondContact O-N 3.46Å |
| 1661 | R | 98 | Very high | 96.7 | Very high | 52 Ų | 52 | 52.9 Ų | 52.9 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 178.7 | -170 | 175.7 | -174.6 | -169.8 | -1 | 113 | L1628 E1635 T1657 L1658 Y1663 E1664 E1665 | L1628-R1661 HydrophobicContact CD1-CG 4.1Å; E1635-R1661 IonicContact OE1-CZ 3.81Å; E1635-R1661 IonicContact OE1-NH1 2.67Å; E1635-R1661 IonicContact OE1-NH2 2.76Å; E1635-R1661 PolarHBondContact OE1-NH2 3.28Å; E1635-R1661 IonicContact OE2-CZ 3.37Å; E1635-R1661 IonicContact OE2-NH1 3.59Å; E1635-R1661 PolarHBondContact OE2-NH1 2.84Å; E1635-R1661 IonicContact OE2-NH2 3.2Å; E1635-R1661 PolarHBondContact OE2-NH2 3.09Å; T1657-R1661 VanDerWaalsContact O-CB 3.27Å; T1657-R1661 WeakPolarHBondContact O-CB 3.27Å; T1657-R1661 PolarHBondContact O-N 3.19Å; L1658-R1661 PolarHBondContact O-N 3.04Å; R1661-Y1663 VanDerWaalsContact C-N 3.29Å; R1661-Y1663 PolarHBondContact O-N 3.31Å; R1661-E1664 PolarHBondContact O-N 2.94Å; R1661-E1665 HydrophobicContact CG-CG 4.12Å; R1661-E1665 IonicContact CZ-OE1 2.66Å; R1661-E1665 IonicContact NE-OE1 3.78Å; R1661-E1665 PolarHBondContact NE-OE1 3.22Å; R1661-E1665 IonicContact NE-OE2 3.7Å; R1661-E1665 IonicContact NH2-OE1 3.14Å; R1661-E1665 PolarHBondContact NH2-OE1 3.5Å; R1661-E1665 VanDerWaalsContact NH2-OE1 3.14Å; R1661-E1665 WeakPolarHBondContact O-CB 3.14Å; R1661-E1665 PolarHBondContact O-N 2.88Å |
| 1662 | L | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 173.5 | 177.6 | 57.8 | 0 | 0 | 0 | 112.4 | Y1617 I1625 L1628 L1654 L1658 R1659 K1660 Y1666 G1667 V1668 | Y1617-L1662 HydrophobicContact CD1-CD2 4.14Å; Y1617-L1662 HydrophobicContact CE1-CD2 3.65Å; I1625-L1662 HydrophobicContact CD1-CD2 4.3Å; I1625-L1662 HydrophobicContact CG1-CD1 3.78Å; I1625-L1662 HydrophobicContact CG1-CD2 3.91Å; L1628-L1662 HydrophobicContact CD2-CB 3.58Å; L1628-L1662 HydrophobicContact CD2-CD1 3.86Å; L1628-L1662 HydrophobicContact CD2-CG 4.23Å; L1654-L1662 HydrophobicContact CD1-CD2 3.92Å; L1658-L1662 VanDerWaalsContact O-CB 3.24Å; L1658-L1662 WeakPolarHBondContact O-CB 3.42Å; L1658-L1662 PolarHBondContact O-N 3.2Å; R1659-L1662 PolarHBondContact O-N 3.24Å; K1660-L1662 PolarHBondContact O-N 3.47Å; L1662-Y1666 WeakPolarHBondContact O-CB 3.33Å; L1662-Y1666 PolarHBondContact O-N 2.82Å; L1662-G1667 PolarHBondContact O-N 2.78Å; L1662-V1668 HydrophobicContact CD1-CB 3.77Å; L1662-V1668 HydrophobicContact CD1-CG1 4.12Å; L1662-V1668 HydrophobicContact CD1-CG2 4.1Å; L1662-V1668 HydrophobicContact CD2-CB 4.48Å; L1662-V1668 HydrophobicContact CD2-CG1 4.13Å; L1662-V1668 HydrophobicContact CG-CB 3.83Å; L1662-V1668 HydrophobicContact CG-CG1 4.03Å; L1662-V1668 PolarHBondContact O-N 3.34Å |
| 1663 | Y | 98.1 | Very high | 97.6 | Very high | 132 Ų | 132 | 50 Ų | 50 | 52% | 0.518 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.3 | -47.8 | 173 | -176.9 | -102.3 | 0 | 0 | 0 | 112.2 | R1659 K1660 R1661 G1667 V1668 Q1669 | R1659-Y1663 PolarHBondContact O-N 2.83Å; R1659-Y1663 VanDerWaalsContact O-N 3.11Å; K1660-Y1663 WeakPolarHBondContact O-CB 3.45Å; K1660-Y1663 PolarHBondContact O-N 2.95Å; R1661-Y1663 VanDerWaalsContact C-N 3.29Å; R1661-Y1663 PolarHBondContact O-N 3.31Å; Y1663-G1667 VanDerWaalsContact O-CA 3.25Å; Y1663-G1667 WeakPolarHBondContact O-CA 3.35Å; Y1663-G1667 PolarHBondContact O-N 3.5Å; Y1663-V1668 WeakPolarHBondContact CA-O 3.42Å; Y1663-Q1669 HydrophobicContact CD2-CB 3.93Å; Y1663-Q1669 HydrophobicContact CD2-CG 4.29Å; Y1663-Q1669 HydrophobicContact CE2-CB 4.05Å; Y1663-Q1669 HydrophobicContact CE2-CG 4.32Å |
| 1664 | E | 98 | Very high | 97.7 | Very high | 132 Ų | 132 | 49 Ų | 49 | 62% | 0.617 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -70.7 | -39.5 | -175 | -72.2 | 179.7 | 155.1 | 0 | 0 | 113.9 | K1660 R1661 | K1660-E1664 WeakPolarHBondContact CE-OE1 3.43Å; K1660-E1664 WeakPolarHBondContact CE-OE2 3.48Å; K1660-E1664 HydrophobicContact CG-CG 4.35Å; K1660-E1664 IonicContact NZ-OE1 3.23Å; K1660-E1664 WeakPolarHBondContact O-CG 3.4Å; K1660-E1664 PolarHBondContact O-N 3.46Å; R1661-E1664 PolarHBondContact O-N 2.94Å |
| 1665 | E | 97.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 49 Ų | 49 | 41% | 0.407 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -88.6 | -35.8 | -178.9 | -67.3 | -169.8 | -164.6 | 0 | 0 | 113.5 | K1631 R1661 | K1631-E1665 IonicContact NZ-OE1 3.73Å; K1631-E1665 PolarHBondContact NZ-OE1 2.88Å; K1631-E1665 IonicContact NZ-OE2 3.67Å; K1631-E1665 PolarHBondContact NZ-OE2 2.91Å; R1661-E1665 HydrophobicContact CG-CG 4.12Å; R1661-E1665 IonicContact CZ-OE1 2.66Å; R1661-E1665 IonicContact NE-OE1 3.78Å; R1661-E1665 PolarHBondContact NE-OE1 3.22Å; R1661-E1665 IonicContact NE-OE2 3.7Å; R1661-E1665 IonicContact NH2-OE1 3.14Å; R1661-E1665 PolarHBondContact NH2-OE1 3.5Å; R1661-E1665 VanDerWaalsContact NH2-OE1 3.14Å; R1661-E1665 WeakPolarHBondContact O-CB 3.14Å; R1661-E1665 PolarHBondContact O-N 2.88Å |
| 1666 | Y | 97.7 | Very high | 97.8 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -118 | -2.7 | -170 | -65.3 | -94.5 | 0 | 0 | 0 | 114.6 | K1624 E1627 L1628 L1662 V1668 | K1624-Y1666 HydrophobicContact CB-CD1 3.88Å; K1624-Y1666 HydrophobicContact CB-CG 4.29Å; K1624-Y1666 HydrophobicContact CG-CD1 4.35Å; K1624-Y1666 PolarHBondContact NZ-O 3.07Å; E1627-Y1666 HydrophobicContact CB-CE1 3.64Å; E1627-Y1666 WeakPolarHBondContact OE2-CE1 3.45Å; L1628-Y1666 HydrophobicContact CB-CD2 4.09Å; L1628-Y1666 HydrophobicContact CB-CE2 3.69Å; L1628-Y1666 HydrophobicContact CD1-CD2 4.39Å; L1628-Y1666 HydrophobicContact CD1-CE2 3.85Å; L1628-Y1666 HydrophobicContact CG-CE2 4.32Å; L1662-Y1666 WeakPolarHBondContact O-CB 3.33Å; L1662-Y1666 PolarHBondContact O-N 2.82Å; Y1666-V1668 PolarHBondContact O-N 3.46Å |
| 1667 | G | 97.1 | Very high | 97.9 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 58% | 0.577 | 23% | 0.233 | S | C | * | . | trans | 64.4 | 25.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | L1662 Y1663 | L1662-G1667 PolarHBondContact O-N 2.78Å; Y1663-G1667 VanDerWaalsContact O-CA 3.25Å; Y1663-G1667 WeakPolarHBondContact O-CA 3.35Å; Y1663-G1667 PolarHBondContact O-N 3.5Å | ||
| 1668 | V | 97.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | trans | -96.2 | 121.2 | -177.2 | 175 | 0 | 0 | 0 | 0 | 109.8 | Y1617 D1621 K1624 I1625 L1662 Y1663 Y1666 | Y1617-V1668 HydrophobicContact CD1-CG1 3.93Å; D1621-V1668 HydrophobicContact CB-CG1 3.94Å; D1621-V1668 HydrophobicContact CB-CG2 3.9Å; K1624-V1668 HydrophobicContact CB-CG2 4.01Å; K1624-V1668 HydrophobicContact CD-CG2 3.29Å; K1624-V1668 HydrophobicContact CG-CG2 4.36Å; I1625-V1668 HydrophobicContact CD1-CG1 4.49Å; L1662-V1668 HydrophobicContact CD1-CB 3.77Å; L1662-V1668 HydrophobicContact CD1-CG1 4.12Å; L1662-V1668 HydrophobicContact CD1-CG2 4.1Å; L1662-V1668 HydrophobicContact CD2-CB 4.48Å; L1662-V1668 HydrophobicContact CD2-CG1 4.13Å; L1662-V1668 HydrophobicContact CG-CB 3.83Å; L1662-V1668 HydrophobicContact CG-CG1 4.03Å; L1662-V1668 PolarHBondContact O-N 3.34Å; Y1663-V1668 WeakPolarHBondContact CA-O 3.42Å; Y1666-V1668 PolarHBondContact O-N 3.46Å | ||
| 1669 | Q | 96 | Very high | 97.9 | Very high | 105 Ų | 105 | 40.8 Ų | 40.8 | 49% | 0.491 | 20% | 0.199 | S | C | . | . | trans | -118.6 | 123.3 | 174.8 | -165.3 | -174.8 | 14.8 | 0 | 0 | 109.8 | Y1663 | Y1663-Q1669 HydrophobicContact CD2-CB 3.93Å; Y1663-Q1669 HydrophobicContact CD2-CG 4.29Å; Y1663-Q1669 HydrophobicContact CE2-CB 4.05Å; Y1663-Q1669 HydrophobicContact CE2-CG 4.32Å | ||
| 1670 | G | 96.7 | Very high | 98 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | trans | -87 | -167.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1389 I1616 | R1389-G1670 PolarHBondContact NH1-O 2.9Å; R1389-G1670 PolarHBondContact NH2-O 2.92Å; R1389-G1670 VanDerWaalsContact NH2-O 3.11Å; I1616-G1670 CarbonylContact O-C 3.59Å; I1616-G1670 WeakPolarHBondContact O-CA 3.37Å | ||
| 1671 | W | 98.5 | Very high | 98 | Very high | 23 Ų | 23 | 34 Ų | 34 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.7 | 165.1 | -62.5 | -97.8 | 0 | 0 | 0 | 108.4 | R1389 Q1413 P1414 H1615 I1616 A1618 I1673 | R1389-W1671 PolarHBondContact O-NE1 2.91Å; Q1413-W1671 HydrophobicContact CB-CZ2 4.21Å; Q1413-W1671 HydrophobicContact CG-CH2 4.49Å; Q1413-W1671 HydrophobicContact CG-CZ2 4.03Å; P1414-W1671 HydrophobicContact CG-CB 4.29Å; P1414-W1671 HydrophobicContact CG-CD2 3.63Å; P1414-W1671 HydrophobicContact CG-CE3 3.74Å; P1414-W1671 HydrophobicContact CG-CG 3.88Å; P1414-W1671 HydrophobicContact CG-CZ3 4.29Å; H1615-W1671 WeakPolarHBondContact CA-O 3.29Å; I1616-W1671 HydrophobicContact CG2-CE3 4.47Å; I1616-W1671 PolarHBondContact N-O 2.78Å; I1616-W1671 PolarHBondContact O-N 3.38Å; A1618-W1671 HydrophobicContact CB-CH2 4.21Å; A1618-W1671 HydrophobicContact CB-CZ3 4.14Å; W1671-I1673 HydrophobicContact CB-CD1 4.06Å; W1671-I1673 HydrophobicContact CB-CG1 3.96Å |
| 1672 | A | 98.5 | Very high | 98 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 7% | 0.066 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | C1386 G1593 D1594 W1614 | C1386-A1672 PolarHBondContact SG-O 2.85Å; G1593-A1672 WeakPolarHBondContact O-CB 3.39Å; D1594-A1672 HydrophobicContact CB-CB 4.26Å; D1594-A1672 WeakPolarHBondContact O-CB 3.42Å; W1614-A1672 WeakPolarHBondContact O-CA 3.43Å |
| 1673 | I | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 118.2 | -172.4 | -44.8 | -178.4 | 0 | 0 | 0 | 109.2 | L1390 P1414 L1416 W1614 I1616 W1671 | L1390-I1673 HydrophobicContact CD1-CD1 4.23Å; L1390-I1673 HydrophobicContact CD2-CB 4.48Å; L1390-I1673 HydrophobicContact CD2-CD1 3.75Å; L1390-I1673 HydrophobicContact CD2-CG1 3.87Å; L1390-I1673 HydrophobicContact CD2-CG2 3.9Å; P1414-I1673 HydrophobicContact CB-CD1 4.45Å; P1414-I1673 HydrophobicContact CG-CD1 4.35Å; L1416-I1673 HydrophobicContact CD1-CG2 3.79Å; W1614-I1673 HydrophobicContact CB-CB 4.3Å; W1614-I1673 PolarHBondContact N-O 2.98Å; W1614-I1673 PolarHBondContact O-N 2.72Å; I1616-I1673 HydrophobicContact CD1-CD1 3.86Å; I1616-I1673 HydrophobicContact CG1-CD1 4.4Å; W1671-I1673 HydrophobicContact CB-CD1 4.06Å; W1671-I1673 HydrophobicContact CB-CG1 3.96Å |
| 1674 | V | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 114 | 166.7 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | I1590 A1595 T1599 P1610 L1613 F1676 L1694 | I1590-V1674 HydrophobicContact CD1-CG2 4.48Å; I1590-V1674 HydrophobicContact CG1-CG2 4.21Å; I1590-V1674 HydrophobicContact CG2-CG2 3.88Å; A1595-V1674 HydrophobicContact CB-CG2 4.18Å; T1599-V1674 HydrophobicContact CG2-CB 3.67Å; T1599-V1674 HydrophobicContact CG2-CG2 3.66Å; P1610-V1674 HydrophobicContact CB-CG1 3.54Å; L1613-V1674 HydrophobicContact CD1-CG2 4.2Å; V1674-F1676 HydrophobicContact CB-CD2 4.45Å; V1674-F1676 HydrophobicContact CB-CE2 3.82Å; V1674-F1676 HydrophobicContact CB-CZ 4.3Å; V1674-F1676 HydrophobicContact CG1-CD2 4.09Å; V1674-F1676 HydrophobicContact CG1-CE1 4.43Å; V1674-F1676 HydrophobicContact CG1-CE2 3.63Å; V1674-F1676 HydrophobicContact CG1-CZ 3.83Å; V1674-F1676 VanDerWaalsContact O-CD2 3.24Å; V1674-F1676 WeakPolarHBondContact O-CD2 3.38Å; V1674-F1676 WeakPolarHBondContact O-CE2 3.23Å; V1674-L1694 HydrophobicContact CG1-CD1 4.17Å |
| 1675 | Q | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 110.8 | 176.3 | -175 | -173.4 | 26.4 | 0 | 0 | 109 | N1568 M1570 G1611 A1612 D1679 V1681 | N1568-Q1675 PolarHBondContact O-NE2 3.43Å; N1568-Q1675 VanDerWaalsContact O-NE2 3.09Å; N1568-Q1675 PolarHBondContact OD1-NE2 3.5Å; M1570-Q1675 HydrophobicContact CB-CG 3.95Å; M1570-Q1675 HydrophobicContact CE-CB 4.38Å; M1570-Q1675 HydrophobicContact CE-CG 4.08Å; G1611-Q1675 WeakPolarHBondContact CA-O 3.3Å; G1611-Q1675 PolarHBondContact N-O 2.89Å; A1612-Q1675 PolarHBondContact N-O 2.87Å; A1612-Q1675 PolarHBondContact O-N 3.2Å; Q1675-D1679 HydrophobicContact CG-CB 4Å; Q1675-D1679 PolarHBondContact NE2-O 2.92Å; Q1675-V1681 HydrophobicContact CB-CG2 4.21Å; Q1675-V1681 HydrophobicContact CG-CG2 3.88Å |
| 1676 | F | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 170.5 | 177.1 | -64.1 | -102.7 | 0 | 0 | 0 | 111.6 | M1570 T1599 R1602 I1603 E1608 K1609 P1610 V1674 G1678 D1679 | M1570-F1676 WeakPolarHBondContact CB-O 3.2Å; T1599-F1676 HydrophobicContact CG2-CE2 4.3Å; R1602-F1676 HydrophobicContact CB-CE1 4.08Å; R1602-F1676 HydrophobicContact CB-CE2 4.11Å; R1602-F1676 HydrophobicContact CB-CZ 3.63Å; I1603-F1676 HydrophobicContact CG1-CE1 3.79Å; I1603-F1676 HydrophobicContact CG1-CZ 3.73Å; E1608-F1676 HydrophobicContact CB-CB 4.4Å; E1608-F1676 HydrophobicContact CB-CD1 3.35Å; E1608-F1676 HydrophobicContact CB-CE1 3.83Å; E1608-F1676 HydrophobicContact CB-CG 4.09Å; K1609-F1676 CarbonylContact O-C 3.51Å; K1609-F1676 VanDerWaalsContact O-CA 3.26Å; K1609-F1676 WeakPolarHBondContact O-CA 3.31Å; K1609-F1676 WeakPolarHBondContact O-CB 3.47Å; P1610-F1676 HydrophobicContact CB-CD1 4.1Å; P1610-F1676 HydrophobicContact CB-CE1 3.91Å; P1610-F1676 HydrophobicContact CB-CZ 4.44Å; V1674-F1676 HydrophobicContact CB-CD2 4.45Å; V1674-F1676 HydrophobicContact CB-CE2 3.82Å; V1674-F1676 HydrophobicContact CB-CZ 4.3Å; V1674-F1676 HydrophobicContact CG1-CD2 4.09Å; V1674-F1676 HydrophobicContact CG1-CE1 4.43Å; V1674-F1676 HydrophobicContact CG1-CE2 3.63Å; V1674-F1676 HydrophobicContact CG1-CZ 3.83Å; V1674-F1676 VanDerWaalsContact O-CD2 3.24Å; V1674-F1676 WeakPolarHBondContact O-CD2 3.38Å; V1674-F1676 WeakPolarHBondContact O-CE2 3.23Å; F1676-G1678 PolarHBondContact O-N 3.13Å; F1676-D1679 WeakPolarHBondContact CB-OD2 3.42Å; F1676-D1679 WeakPolarHBondContact CD2-OD2 3.5Å; F1676-D1679 PolarHBondContact N-OD2 3.17Å; F1676-D1679 VanDerWaalsContact N-OD2 3.16Å; F1676-D1679 WeakPolarHBondContact O-CB 3.43Å; F1676-D1679 PolarHBondContact O-N 2.81Å |
| 1677 | L | 98.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 13 Ų | 13 | 23% | 0.225 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 122.2 | 172.9 | 178 | 60.7 | 0 | 0 | 0 | 111.1 | H1421 V1571 V1573 K1609 D1679 | H1421-L1677 HydrophobicContact CB-CD1 4.46Å; H1421-L1677 HydrophobicContact CB-CG 4.2Å; H1421-L1677 PolarHBondContact CE1-O 3.19Å; H1421-L1677 PolarHBondContact ND1-O 2.82Å; V1571-L1677 WeakPolarHBondContact O-CD1 3.34Å; V1573-L1677 HydrophobicContact CG2-CB 4.03Å; V1573-L1677 HydrophobicContact CG2-CD1 4.37Å; K1609-L1677 HydrophobicContact CB-CB 4.32Å; K1609-L1677 PolarHBondContact O-N 3.16Å; L1677-D1679 VanDerWaalsContact C-N 3.29Å; L1677-D1679 PolarHBondContact O-N 2.95Å |
| 1678 | G | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 11.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | G1419 V1420 H1421 M1570 F1676 | G1419-G1678 PolarHBondContact N-O 2.74Å; G1419-G1678 VanDerWaalsContact N-O 3.11Å; V1420-G1678 WeakPolarHBondContact CB-O 3.49Å; V1420-G1678 PolarHBondContact N-O 3.33Å; H1421-G1678 WeakPolarHBondContact ND1-CA 3.47Å; M1570-G1678 WeakPolarHBondContact O-CA 3.49Å; M1570-G1678 PolarHBondContact O-N 2.67Å; F1676-G1678 PolarHBondContact O-N 3.13Å |
| 1679 | D | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 124.6 | 165.3 | -72.5 | -8.3 | 0 | 0 | 0 | 109.4 | L1416 S1418 M1570 R1602 Q1675 F1676 L1677 | L1416-D1679 HydrophobicContact CD1-CB 4.13Å; L1416-D1679 HydrophobicContact CD2-CB 4.2Å; L1416-D1679 HydrophobicContact CG-CB 4.21Å; S1418-D1679 VanDerWaalsContact CA-OD1 3.26Å; S1418-D1679 WeakPolarHBondContact CA-OD1 3.42Å; S1418-D1679 WeakPolarHBondContact CB-OD1 3.49Å; M1570-D1679 PolarHBondContact N-O 3.01Å; R1602-D1679 IonicContact CZ-OD2 2.69Å; R1602-D1679 IonicContact NH1-OD2 3.94Å; R1602-D1679 PolarHBondContact NH1-OD2 2.91Å; R1602-D1679 IonicContact NH2-OD1 3.92Å; R1602-D1679 PolarHBondContact NH2-OD1 2.89Å; R1602-D1679 VanDerWaalsContact NH2-OD1 3.16Å; R1602-D1679 IonicContact NH2-OD2 3.73Å; R1602-D1679 PolarHBondContact NH2-OD2 3.09Å; Q1675-D1679 HydrophobicContact CG-CB 4Å; Q1675-D1679 PolarHBondContact NE2-O 2.92Å; F1676-D1679 WeakPolarHBondContact CB-OD2 3.42Å; F1676-D1679 WeakPolarHBondContact CD2-OD2 3.5Å; F1676-D1679 PolarHBondContact N-OD2 3.17Å; F1676-D1679 VanDerWaalsContact N-OD2 3.16Å; F1676-D1679 WeakPolarHBondContact O-CB 3.43Å; F1676-D1679 PolarHBondContact O-N 2.81Å; L1677-D1679 VanDerWaalsContact C-N 3.29Å; L1677-D1679 PolarHBondContact O-N 2.95Å |
| 1680 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 116.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1416 V1417 V1420 P1510 V1567 N1568 V1569 F1682 | L1416-A1680 CarbonylContact C-O 3.56Å; L1416-A1680 WeakPolarHBondContact CA-O 3.28Å; V1417-A1680 HydrophobicContact CB-CB 4.37Å; V1417-A1680 PolarHBondContact N-O 3.28Å; V1417-A1680 PolarHBondContact O-N 3.05Å; V1420-A1680 HydrophobicContact CG2-CB 3.96Å; P1510-A1680 HydrophobicContact CG-CB 3.76Å; V1567-A1680 HydrophobicContact CG2-CB 4Å; N1568-A1680 CarbonylContact O-C 3.52Å; N1568-A1680 VanDerWaalsContact O-CA 3.27Å; N1568-A1680 WeakPolarHBondContact O-CA 3.28Å; V1569-A1680 HydrophobicContact CG2-CB 3.99Å; A1680-F1682 HydrophobicContact CB-CE2 4.38Å |
| 1681 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.9 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | V1567 N1568 I1616 Q1675 I1683 | V1567-V1681 CarbonylContact C-O 3.32Å; V1567-V1681 WeakPolarHBondContact CA-O 3.46Å; N1568-V1681 PolarHBondContact N-O 2.81Å; N1568-V1681 PolarHBondContact O-N 3.29Å; I1616-V1681 HydrophobicContact CD1-CG1 3.84Å; Q1675-V1681 HydrophobicContact CB-CG2 4.21Å; Q1675-V1681 HydrophobicContact CG-CG2 3.88Å; V1681-I1683 HydrophobicContact CG1-CD1 4.27Å; V1681-I1683 HydrophobicContact CG1-CG1 4.34Å; V1681-I1683 WeakPolarHBondContact O-CD1 3.47Å |
| 1682 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.6 | 175.3 | -75.4 | -110.2 | 0 | 0 | 0 | 109.8 | F1405 W1409 P1414 V1415 V1417 P1510 L1511 T1515 A1566 V1567 A1680 F1704 | F1405-F1682 HydrophobicContact CE2-CB 4.43Å; F1405-F1682 AromaticContact CE2-CD1 3.83Å; F1405-F1682 HydrophobicContact CE2-CD1 3.83Å; F1405-F1682 HydrophobicContact CE2-CE1 4.33Å; F1405-F1682 HydrophobicContact CE2-CG 4.18Å; F1405-F1682 HydrophobicContact CZ-CD1 4.09Å; F1405-F1682 HydrophobicContact CZ-CE1 4.46Å; W1409-F1682 HydrophobicContact CH2-CB 3.89Å; W1409-F1682 HydrophobicContact CZ3-CB 3.63Å; P1414-F1682 VanDerWaalsContact CA-O 3.28Å; P1414-F1682 WeakPolarHBondContact CA-O 3.47Å; P1414-F1682 WeakPolarHBondContact CB-O 3.43Å; V1415-F1682 HydrophobicContact CB-CB 4.34Å; V1415-F1682 PolarHBondContact N-O 2.86Å; V1415-F1682 WeakPolarHBondContact O-CB 3.19Å; V1415-F1682 PolarHBondContact O-N 3.13Å; V1417-F1682 HydrophobicContact CB-CE2 4.33Å; V1417-F1682 HydrophobicContact CG2-CD2 4.06Å; V1417-F1682 HydrophobicContact CG2-CE2 3.56Å; V1417-F1682 HydrophobicContact CG2-CZ 4.44Å; P1510-F1682 HydrophobicContact CB-CE2 4.46Å; P1510-F1682 HydrophobicContact CB-CZ 4.38Å; P1510-F1682 HydrophobicContact CG-CE2 3.89Å; P1510-F1682 HydrophobicContact CG-CZ 3.96Å; L1511-F1682 HydrophobicContact CB-CE1 4.18Å; L1511-F1682 HydrophobicContact CB-CZ 4.01Å; L1511-F1682 HydrophobicContact CD1-CD1 4.48Å; L1511-F1682 HydrophobicContact CD1-CE1 3.85Å; L1511-F1682 HydrophobicContact CD1-CE2 4.21Å; L1511-F1682 HydrophobicContact CD1-CZ 3.71Å; L1511-F1682 HydrophobicContact CG-CZ 4.31Å; T1515-F1682 HydrophobicContact CG2-CE1 3.51Å; T1515-F1682 HydrophobicContact CG2-CZ 3.88Å; A1566-F1682 WeakPolarHBondContact O-CA 3.45Å; V1567-F1682 HydrophobicContact CB-CD1 4.17Å; V1567-F1682 HydrophobicContact CB-CD2 4.46Å; V1567-F1682 HydrophobicContact CB-CE1 4.03Å; V1567-F1682 HydrophobicContact CB-CE2 4.32Å; V1567-F1682 HydrophobicContact CB-CG 4.38Å; V1567-F1682 HydrophobicContact CB-CZ 4.09Å; V1567-F1682 HydrophobicContact CG2-CD1 4.36Å; V1567-F1682 HydrophobicContact CG2-CD2 3.84Å; V1567-F1682 HydrophobicContact CG2-CE1 4.08Å; V1567-F1682 HydrophobicContact CG2-CE2 3.5Å; V1567-F1682 VanDerWaalsContact CG2-CE2 3.5Å; V1567-F1682 HydrophobicContact CG2-CG 4.24Å; V1567-F1682 HydrophobicContact CG2-CZ 3.63Å; A1680-F1682 HydrophobicContact CB-CE2 4.38Å; F1682-F1704 HydrophobicContact CD1-CE1 4.21Å; F1682-F1704 AromaticContact CD1-CZ 3.93Å; F1682-F1704 HydrophobicContact CD1-CZ 3.93Å; F1682-F1704 HydrophobicContact CE1-CE1 4.37Å; F1682-F1704 HydrophobicContact CE1-CZ 4.24Å |
| 1683 | I | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 3.8 Ų | 3.8 | 4% | 0.036 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.4 | -177.1 | -53.3 | 93.5 | 0 | 0 | 0 | 109.5 | W1409 A1566 N1568 W1614 I1616 V1681 A1687 | W1409-I1683 VanDerWaalsContact CH2-C 3.5Å; A1566-I1683 HydrophobicContact CB-CD1 4.41Å; A1566-I1683 PolarHBondContact N-O 3.42Å; A1566-I1683 PolarHBondContact O-N 2.95Å; N1568-I1683 HydrophobicContact CB-CD1 4.14Å; W1614-I1683 HydrophobicContact CH2-CD1 4.4Å; W1614-I1683 HydrophobicContact CZ3-CD1 4.12Å; W1614-I1683 HydrophobicContact CZ3-CG1 4.25Å; I1616-I1683 HydrophobicContact CD1-CG1 4.24Å; V1681-I1683 HydrophobicContact CG1-CD1 4.27Å; V1681-I1683 HydrophobicContact CG1-CG1 4.34Å; V1681-I1683 WeakPolarHBondContact O-CD1 3.47Å; I1683-A1687 HydrophobicContact CG2-CB 4.1Å |
| 1684 | P | 97.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 3.7 Ų | 3.7 | 3% | 0.026 | 2% | 0.021 | C | C | . | . | trans | -64.7 | 143.4 | 175.3 | -26 | 36.2 | 0 | 0 | 0 | 113.6 | W1409 G1686 A1687 | W1409-P1684 HydrophobicContact CE3-CG 4.29Å; W1409-P1684 HydrophobicContact CH2-CB 4.39Å; W1409-P1684 HydrophobicContact CH2-CG 4.02Å; W1409-P1684 HydrophobicContact CZ3-CG 3.77Å; P1684-G1686 PolarHBondContact O-N 2.88Å; P1684-A1687 HydrophobicContact CB-CB 4.28Å; P1684-A1687 WeakPolarHBondContact O-CB 3.47Å; P1684-A1687 PolarHBondContact O-N 3.12Å | ||
| 1685 | A | 93.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 124.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1564 D1565 H1709 H1712 | S1564-A1685 VanDerWaalsContact O-CA 3.24Å; S1564-A1685 WeakPolarHBondContact O-CA 3.24Å; S1564-A1685 WeakPolarHBondContact O-CB 3.4Å; D1565-A1685 PolarHBondContact OD1-N 3.03Å; A1685-H1709 HydrophobicContact CB-CB 4.02Å; A1685-H1712 HydrophobicContact CB-CB 4.25Å |
| 1686 | G | 91.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 4.2 Ų | 4.2 | 3% | 0.031 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 8.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116 | D1562 A1619 P1684 P1688 L1716 | D1562-G1686 WeakPolarHBondContact O-CA 3.38Å; D1562-G1686 PolarHBondContact O-N 2.93Å; A1619-G1686 VanDerWaalsContact CA-O 3.3Å; A1619-G1686 WeakPolarHBondContact CA-O 3.32Å; A1619-G1686 VanDerWaalsContact CB-C 3.46Å; A1619-G1686 VanDerWaalsContact CB-O 3.23Å; A1619-G1686 WeakPolarHBondContact CB-O 3.29Å; P1684-G1686 PolarHBondContact O-N 2.88Å; G1686-P1688 VanDerWaalsContact O-CD 3.29Å; G1686-P1688 WeakPolarHBondContact O-CD 3.34Å; G1686-L1716 VanDerWaalsContact CA-CD1 3.46Å |
| 1687 | A | 96.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 4.2 Ų | 4.2 | 2% | 0.017 | 2% | 0.022 | C | C | . | . | trans | -74.6 | 116.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1616 Y1617 I1683 P1684 H1689 | I1616-A1687 HydrophobicContact CG2-CB 4.2Å; Y1617-A1687 WeakPolarHBondContact O-CA 3.31Å; Y1617-A1687 WeakPolarHBondContact O-CB 3.27Å; I1683-A1687 HydrophobicContact CG2-CB 4.1Å; P1684-A1687 HydrophobicContact CB-CB 4.28Å; P1684-A1687 WeakPolarHBondContact O-CB 3.47Å; P1684-A1687 PolarHBondContact O-N 3.12Å; A1687-H1689 PolarHBondContact O-N 3.27Å; A1687-H1689 PolarHBondContact O-ND1 3.43Å | ||
| 1688 | P | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.012 | C | C | . | . | trans | -64.4 | 131.9 | 175.1 | -19.8 | 33.5 | 0 | 0 | 0 | 110.1 | L1559 H1560 L1561 Y1617 A1622 I1625 I1647 G1686 | L1559-P1688 HydrophobicContact CD1-CB 4.25Å; H1560-P1688 CarbonylContact O-C 3.58Å; H1560-P1688 VanDerWaalsContact O-CA 3.27Å; H1560-P1688 WeakPolarHBondContact O-CA 3.36Å; L1561-P1688 HydrophobicContact CD2-CG 4.39Å; Y1617-P1688 WeakPolarHBondContact CD2-O 3.42Å; Y1617-P1688 PolarHBondContact N-O 3.26Å; Y1617-P1688 WeakPolarHBondContact O-CD 3.32Å; A1622-P1688 HydrophobicContact CB-CG 3.69Å; I1625-P1688 HydrophobicContact CD1-CB 4.25Å; I1625-P1688 HydrophobicContact CD1-CG 4.21Å; I1647-P1688 HydrophobicContact CD1-CB 4.48Å; I1647-P1688 HydrophobicContact CD1-CG 4.29Å; I1647-P1688 HydrophobicContact CG2-CB 4.41Å; G1686-P1688 VanDerWaalsContact O-CD 3.29Å; G1686-P1688 WeakPolarHBondContact O-CD 3.34Å | ||
| 1689 | H | 98.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 2.6 Ų | 2.6 | 4% | 0.042 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 155.8 | -179.2 | 71.5 | -78 | 0 | 0 | 0 | 113.4 | L1559 H1560 D1562 W1614 H1615 I1616 A1687 | L1559-H1689 WeakPolarHBondContact CA-O 3.25Å; H1560-H1689 AromaticContact CE1-CD2 3.91Å; H1560-H1689 AromaticContact CE1-CE1 3.52Å; H1560-H1689 AromaticContact CE1-NE2 3.26Å; H1560-H1689 PolarHBondContact CE1-NE2 2.85Å; H1560-H1689 VanDerWaalsContact CE1-NE2 3.26Å; H1560-H1689 PolarHBondContact N-O 3.43Å; H1560-H1689 PolarHBondContact ND1-O 2.89Å; H1560-H1689 AromaticContact NE2-CE1 3.58Å; H1560-H1689 AromaticContact NE2-NE2 3.6Å; H1560-H1689 PolarHBondContact O-N 3.1Å; D1562-H1689 IonicContact OD2-CE1 2.8Å; D1562-H1689 PolarHBondContact OD2-CE1 2.81Å; W1614-H1689 AromaticContact CE3-CD2 3.91Å; W1614-H1689 AromaticContact CZ3-CD2 3.53Å; W1614-H1689 AromaticContact CZ3-NE2 3.98Å; H1615-H1689 VanDerWaalsContact O-CA 3.25Å; H1615-H1689 WeakPolarHBondContact O-CA 3.37Å; I1616-H1689 HydrophobicContact CB-CB 4.33Å; I1616-H1689 HydrophobicContact CG1-CB 3.95Å; I1616-H1689 HydrophobicContact CG2-CB 4.36Å; A1687-H1689 PolarHBondContact O-N 3.27Å; A1687-H1689 PolarHBondContact O-ND1 3.43Å |
| 1690 | Q | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.014 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 155.7 | -179.4 | 64.5 | -175.8 | 29 | 0 | 0 | 110.8 | L1559 W1614 H1615 Y1653 L1654 | L1559-Q1690 HydrophobicContact CB-CB 4.39Å; L1559-Q1690 HydrophobicContact CD1-CB 4.2Å; L1559-Q1690 HydrophobicContact CD1-CG 4.42Å; W1614-Q1690 WeakPolarHBondContact CA-O 3.26Å; H1615-Q1690 HydrophobicContact CB-CG 3.85Å; H1615-Q1690 PolarHBondContact N-O 3.48Å; H1615-Q1690 VanDerWaalsContact N-O 3.16Å; H1615-Q1690 PolarHBondContact ND1-NE2 3.46Å; H1615-Q1690 PolarHBondContact O-N 3.39Å; Y1653-Q1690 HydrophobicContact CD2-CB 4.07Å; Y1653-Q1690 HydrophobicContact CD2-CG 4.14Å; Y1653-Q1690 HydrophobicContact CE2-CB 4.22Å; Y1653-Q1690 HydrophobicContact CE2-CG 3.92Å; L1654-Q1690 PolarHBondContact O-NE2 2.86Å |
| 1691 | V | 98.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 3 Ų | 3 | 4% | 0.042 | 2% | 0.017 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.8 | -174.5 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | T1556 T1557 A1612 W1614 | T1556-V1691 WeakPolarHBondContact CA-O 3.2Å; T1556-V1691 WeakPolarHBondContact CB-O 3.45Å; T1556-V1691 PolarHBondContact N-O 2.97Å; T1557-V1691 PolarHBondContact N-O 3.15Å; T1557-V1691 PolarHBondContact O-N 2.98Å; A1612-V1691 HydrophobicContact CB-CG1 3.87Å; W1614-V1691 HydrophobicContact CD2-CG1 4.29Å; W1614-V1691 HydrophobicContact CD2-CG2 3.71Å; W1614-V1691 HydrophobicContact CE3-CG2 3.6Å; W1614-V1691 HydrophobicContact CG-CG2 4.46Å; W1614-V1691 HydrophobicContact CH2-CG2 3.81Å; W1614-V1691 HydrophobicContact CZ2-CG1 4.26Å; W1614-V1691 HydrophobicContact CZ2-CG2 3.93Å; W1614-V1691 HydrophobicContact CZ3-CG2 3.65Å |
| 1692 | H | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 114.9 | 175.1 | 174.5 | 103.8 | 0 | 0 | 0 | 109.4 | L1546 D1551 V1554 A1612 L1613 Y1653 L1694 | L1546-H1692 VanDerWaalsContact CB-CE1 3.44Å; L1546-H1692 WeakPolarHBondContact CB-CE1 3.46Å; L1546-H1692 WeakPolarHBondContact CD1-ND1 3.33Å; D1551-H1692 PolarHBondContact O-CE1 2.83Å; D1551-H1692 VanDerWaalsContact O-CE1 3.28Å; V1554-H1692 PolarHBondContact O-ND1 3.43Å; A1612-H1692 CarbonylContact C-O 3.6Å; A1612-H1692 VanDerWaalsContact CA-O 3.27Å; A1612-H1692 WeakPolarHBondContact CA-O 3.29Å; A1612-H1692 WeakPolarHBondContact CB-O 3.33Å; L1613-H1692 PolarHBondContact N-O 3.28Å; L1613-H1692 PolarHBondContact O-N 2.85Å; Y1653-H1692 HydrophobicContact CE2-CB 4.13Å; Y1653-H1692 WeakPolarHBondContact OH-CB 3.33Å; H1692-L1694 PolarHBondContact O-N 3.26Å |
| 1693 | N | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 120.8 | 177.1 | -85.2 | 7.1 | 0 | 0 | 0 | 111.4 | A1543 Y1544 L1546 T1556 Y1695 K1699 | A1543-N1693 WeakPolarHBondContact CB-ND2 3.41Å; A1543-N1693 PolarHBondContact O-ND2 3.05Å; Y1544-N1693 VanDerWaalsContact O-CB 3.27Å; Y1544-N1693 WeakPolarHBondContact O-CB 3.2Å; Y1544-N1693 PolarHBondContact O-ND2 3.08Å; L1546-N1693 WeakPolarHBondContact CB-O 3.46Å; L1546-N1693 PolarHBondContact N-O 2.88Å; T1556-N1693 HydrophobicContact CG2-CB 4.32Å; T1556-N1693 WeakPolarHBondContact OG1-CB 3.5Å; T1556-N1693 PolarHBondContact OG1-N 2.94Å; N1693-Y1695 WeakPolarHBondContact CB-O 3.48Å; N1693-K1699 PolarHBondContact OD1-NZ 2.86Å |
| 1694 | L | 96.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 3.8 Ų | 3.8 | 1% | 0.005 | 2% | 0.021 | C | C | . | . | S | Bend | trans | -80.1 | -40 | 175.3 | -59.5 | 162.3 | 0 | 0 | 0 | 110.8 | V1586 T1589 I1590 P1610 G1611 L1613 V1674 H1692 | V1586-L1694 HydrophobicContact CG1-CB 4.1Å; V1586-L1694 HydrophobicContact CG1-CD2 4.38Å; V1586-L1694 HydrophobicContact CG2-CB 4.39Å; T1589-L1694 HydrophobicContact CG2-CD2 3.9Å; I1590-L1694 HydrophobicContact CD1-CD1 3.85Å; I1590-L1694 HydrophobicContact CG1-CD1 3.84Å; I1590-L1694 HydrophobicContact CG1-CD2 4.05Å; P1610-L1694 HydrophobicContact CB-CD1 4.09Å; G1611-L1694 WeakPolarHBondContact O-CB 3.46Å; G1611-L1694 PolarHBondContact O-N 2.6Å; L1613-L1694 HydrophobicContact CB-CD1 4.39Å; L1613-L1694 HydrophobicContact CB-CD2 4.37Å; L1613-L1694 HydrophobicContact CB-CG 4.43Å; V1674-L1694 HydrophobicContact CG1-CD1 4.17Å; H1692-L1694 PolarHBondContact O-N 3.26Å |
| 1695 | Y | 96.7 | Very high | 96.3 | Very high | 12 Ų | 12 | 3.6 Ų | 3.6 | 5% | 0.047 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -127.9 | 178.2 | 169.5 | -63.8 | -60.3 | 0 | 0 | 0 | 110.3 | G1545 V1573 G1574 I1575 D1583 V1586 P1610 G1611 N1693 C1697 | G1545-Y1695 VanDerWaalsContact CA-C 3.42Å; G1545-Y1695 WeakPolarHBondContact CA-O 3.35Å; V1573-Y1695 HydrophobicContact CG1-CD2 4.31Å; G1574-Y1695 WeakPolarHBondContact O-CB 3.35Å; I1575-Y1695 HydrophobicContact CD1-CD2 4.48Å; I1575-Y1695 HydrophobicContact CD1-CE2 4.29Å; I1575-Y1695 HydrophobicContact CG1-CD2 3.94Å; I1575-Y1695 HydrophobicContact CG1-CE2 4.13Å; I1575-Y1695 HydrophobicContact CG1-CG 4.15Å; I1575-Y1695 HydrophobicContact CG2-CD1 4.35Å; I1575-Y1695 HydrophobicContact CG2-CE1 4.04Å; D1583-Y1695 PolarHBondContact OD1-OH 3.49Å; V1586-Y1695 HydrophobicContact CG1-CE2 4.25Å; V1586-Y1695 HydrophobicContact CG2-CD1 4.37Å; V1586-Y1695 HydrophobicContact CG2-CE1 3.86Å; P1610-Y1695 HydrophobicContact CG-CE2 4.14Å; P1610-Y1695 VanDerWaalsContact O-CD2 3.31Å; P1610-Y1695 WeakPolarHBondContact O-CD2 3.42Å; G1611-Y1695 PolarHBondContact O-N 3.15Å; N1693-Y1695 WeakPolarHBondContact CB-O 3.48Å; Y1695-C1697 PolarHBondContact O-N 2.86Å; Y1695-C1697 PolarHBondContact O-SG 2.62Å |
| 1696 | S | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 123.5 | 179.7 | -58.5 | 0 | 0 | 0 | 0 | 110 | F1466 R1472 A1543 Y1544 G1545 G1574 | F1466-S1696 VanDerWaalsContact CE1-CB 3.44Å; F1466-S1696 VanDerWaalsContact CZ-C 3.48Å; F1466-S1696 WeakPolarHBondContact O-CB 3.27Å; F1466-S1696 PolarHBondContact O-OG 3.24Å; R1472-S1696 PolarHBondContact NH2-OG 3.08Å; A1543-S1696 WeakPolarHBondContact O-CA 3.36Å; Y1544-S1696 WeakPolarHBondContact CA-OG 3.27Å; G1545-S1696 PolarHBondContact N-OG 2.97Å; G1574-S1696 PolarHBondContact N-O 3.45Å; G1574-S1696 PolarHBondContact O-N 2.86Å; G1574-S1696 VanDerWaalsContact O-N 3.15Å |
| 1697 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.019 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.7 | -168.9 | -69 | 0 | 0 | 0 | 0 | 113 | A1543 M1570 G1611 Y1695 K1699 | A1543-C1697 PolarHBondContact N-O 2.75Å; A1543-C1697 PolarHBondContact O-N 3.49Å; M1570-C1697 HydrophobicContact CE-CB 4.11Å; M1570-C1697 HydrophobicContact SD-CB 3.78Å; G1611-C1697 WeakPolarHBondContact CA-SG 3.45Å; G1611-C1697 PolarHBondContact O-SG 3.43Å; Y1695-C1697 PolarHBondContact O-N 2.86Å; Y1695-C1697 PolarHBondContact O-SG 2.62Å; C1697-K1699 HydrophobicContact CB-CG 4.34Å |
| 1698 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.9 | 164.4 | -50.5 | -176.4 | 0 | 0 | 0 | 106.7 | F1434 W1463 F1466 M1540 N1542 V1571 Y1572 | F1434-I1698 HydrophobicContact CD2-CD1 3.96Å; F1434-I1698 HydrophobicContact CE2-CD1 3.77Å; F1434-I1698 HydrophobicContact CE2-CG2 4.38Å; W1463-I1698 HydrophobicContact CH2-CD1 3.64Å; W1463-I1698 HydrophobicContact CH2-CG1 3.93Å; W1463-I1698 HydrophobicContact CZ3-CD1 3.51Å; W1463-I1698 HydrophobicContact CZ3-CG1 3.89Å; F1466-I1698 HydrophobicContact CE1-CG1 4.24Å; F1466-I1698 HydrophobicContact CE2-CG1 4.33Å; F1466-I1698 HydrophobicContact CZ-CD1 4.35Å; F1466-I1698 HydrophobicContact CZ-CG1 3.63Å; M1540-I1698 HydrophobicContact CG-CG2 4.37Å; M1540-I1698 HydrophobicContact SD-CG2 4.14Å; N1542-I1698 WeakPolarHBondContact OD1-CG2 3.25Å; V1571-I1698 HydrophobicContact CG2-CB 3.93Å; V1571-I1698 HydrophobicContact CG2-CG2 3.51Å; V1571-I1698 WeakPolarHBondContact CG2-O 3.33Å; V1571-I1698 PolarHBondContact N-O 3.49Å; Y1572-I1698 HydrophobicContact CD1-CD1 4.38Å; Y1572-I1698 HydrophobicContact CD1-CG1 4.5Å; Y1572-I1698 HydrophobicContact CG-CD1 4.25Å; Y1572-I1698 PolarHBondContact N-O 3.16Å; Y1572-I1698 PolarHBondContact O-N 2.95Å |
| 1699 | K | 98 | Very high | 96.5 | Very high | 10 Ų | 10 | 5 Ų | 5 | 4% | 0.043 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.1 | 176.3 | -39.8 | -173.9 | -166.6 | 72.8 | 0 | 110.1 | M1540 Y1541 N1568 V1569 M1570 W1614 N1693 C1697 | M1540-K1699 WeakPolarHBondContact CA-O 3.17Å; M1540-K1699 WeakPolarHBondContact CG-O 3.47Å; Y1541-K1699 PolarHBondContact N-O 3.41Å; Y1541-K1699 PolarHBondContact O-N 3.12Å; N1568-K1699 WeakPolarHBondContact OD1-CD 3.33Å; V1569-K1699 CarbonylContact O-C 3.53Å; V1569-K1699 VanDerWaalsContact O-CA 3.28Å; V1569-K1699 WeakPolarHBondContact O-CA 3.31Å; M1570-K1699 HydrophobicContact CE-CD 3.96Å; M1570-K1699 HydrophobicContact CE-CG 4.03Å; M1570-K1699 HydrophobicContact SD-CG 3.97Å; W1614-K1699 HydrophobicContact CZ2-CD 4.3Å; N1693-K1699 PolarHBondContact OD1-NZ 2.86Å; C1697-K1699 HydrophobicContact CB-CG 4.34Å |
| 1700 | V | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.9 | 171.1 | -156.4 | 0 | 0 | 0 | 0 | 109.2 | W1429 F1494 L1505 P1538 K1539 M1540 V1569 V1571 | W1429-V1700 HydrophobicContact CE3-CG2 4.38Å; W1429-V1700 HydrophobicContact CH2-CG2 4.08Å; W1429-V1700 HydrophobicContact CZ3-CG2 3.63Å; F1494-V1700 HydrophobicContact CE2-CG1 4.16Å; F1494-V1700 HydrophobicContact CZ-CG1 4.26Å; L1505-V1700 HydrophobicContact CD2-CB 3.99Å; L1505-V1700 HydrophobicContact CD2-CG1 3.6Å; P1538-V1700 HydrophobicContact CB-CG1 3.89Å; K1539-V1700 CarbonylContact O-C 3.58Å; K1539-V1700 WeakPolarHBondContact O-CA 3.3Å; K1539-V1700 WeakPolarHBondContact O-CG1 3.29Å; M1540-V1700 HydrophobicContact CG-CG2 4.16Å; M1540-V1700 HydrophobicContact SD-CG2 4.31Å; V1569-V1700 PolarHBondContact N-O 2.76Å; V1569-V1700 PolarHBondContact O-N 3.42Å; V1571-V1700 HydrophobicContact CG1-CG2 4.01Å; V1571-V1700 HydrophobicContact CG2-CG2 4Å |
| 1701 | A | 94.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 10 Ų | 10 | 7% | 0.066 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1538 K1539 Y1541 V1567 N1568 | P1538-A1701 CarbonylContact C-O 3.48Å; P1538-A1701 WeakPolarHBondContact CA-O 3.36Å; K1539-A1701 PolarHBondContact N-O 3.01Å; K1539-A1701 PolarHBondContact O-N 2.91Å; Y1541-A1701 HydrophobicContact CE2-CB 3.92Å; V1567-A1701 WeakPolarHBondContact O-CA 3.36Å; V1567-A1701 WeakPolarHBondContact O-CB 3.2Å; N1568-A1701 HydrophobicContact CB-CB 4.24Å |
| 1702 | E | 93.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.3 | 170.8 | -177.9 | 80.8 | 171.4 | 0 | 0 | 108.2 | M1506 L1509 R1517 P1538 V1567 | M1506-E1702 HydrophobicContact CE-CG 4.34Å; M1506-E1702 VanDerWaalsContact CE-OE1 3.27Å; M1506-E1702 WeakPolarHBondContact CE-OE1 3.45Å; M1506-E1702 HydrophobicContact SD-CG 4.45Å; L1509-E1702 HydrophobicContact CD1-CB 4.08Å; L1509-E1702 HydrophobicContact CD1-CG 4.11Å; R1517-E1702 VanDerWaalsContact CG-OE1 3.25Å; R1517-E1702 WeakPolarHBondContact CG-OE1 3.47Å; R1517-E1702 IonicContact NE-OE1 4Å; R1517-E1702 PolarHBondContact NE-OE1 3.38Å; P1538-E1702 VanDerWaalsContact CA-OE2 3.32Å; P1538-E1702 WeakPolarHBondContact CA-OE2 3.39Å; P1538-E1702 WeakPolarHBondContact CB-OE2 3.39Å; P1538-E1702 WeakPolarHBondContact CD-OE2 3.49Å; V1567-E1702 HydrophobicContact CG1-CB 4.3Å; V1567-E1702 PolarHBondContact N-O 2.78Å; V1567-E1702 PolarHBondContact O-N 3.26Å; V1567-E1702 VanDerWaalsContact O-N 3.16Å |
| 1703 | D | 92.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 11.9 Ų | 11.9 | 12% | 0.123 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 148.8 | 176.3 | -57.4 | -53.4 | 0 | 0 | 0 | 110.8 | L1536 K1539 D1565 | L1536-D1703 HydrophobicContact CB-CB 3.88Å; L1536-D1703 HydrophobicContact CD2-CB 3.67Å; L1536-D1703 HydrophobicContact CG-CB 4.34Å; L1536-D1703 WeakPolarHBondContact O-CB 3.28Å; L1536-D1703 PolarHBondContact O-N 3.34Å; K1539-D1703 IonicContact NZ-OD2 3.36Å; D1565-D1703 CarbonylContact O-C 3.56Å; D1565-D1703 WeakPolarHBondContact O-CA 3.38Å |
| 1704 | F | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 173.9 | 175.1 | 63 | -83.4 | 0 | 0 | 0 | 112 | W1409 Y1514 T1515 S1564 D1565 V1567 F1682 | W1409-F1704 HydrophobicContact CH2-CZ 4.29Å; W1409-F1704 HydrophobicContact CZ2-CE2 4.06Å; W1409-F1704 AromaticContact CZ2-CZ 3.79Å; W1409-F1704 HydrophobicContact CZ2-CZ 3.79Å; Y1514-F1704 VanDerWaalsContact O-CB 3.3Å; Y1514-F1704 WeakPolarHBondContact O-CB 3.43Å; Y1514-F1704 WeakPolarHBondContact O-CD2 3.36Å; Y1514-F1704 WeakPolarHBondContact O-CG 3.11Å; T1515-F1704 HydrophobicContact CG2-CD1 4.19Å; T1515-F1704 HydrophobicContact CG2-CE1 4.03Å; S1564-F1704 WeakPolarHBondContact CB-O 3.46Å; D1565-F1704 HydrophobicContact CB-CD1 4.15Å; D1565-F1704 HydrophobicContact CB-CD2 3.68Å; D1565-F1704 HydrophobicContact CB-CE1 3.95Å; D1565-F1704 HydrophobicContact CB-CE2 3.44Å; D1565-F1704 VanDerWaalsContact CB-CE2 3.44Å; D1565-F1704 HydrophobicContact CB-CG 4.02Å; D1565-F1704 HydrophobicContact CB-CZ 3.58Å; D1565-F1704 WeakPolarHBondContact CB-O 3.18Å; D1565-F1704 PolarHBondContact N-O 2.98Å; D1565-F1704 PolarHBondContact O-N 3.15Å; V1567-F1704 HydrophobicContact CB-CE1 4.31Å; V1567-F1704 HydrophobicContact CG1-CE1 4.44Å; F1682-F1704 HydrophobicContact CD1-CE1 4.21Å; F1682-F1704 AromaticContact CD1-CZ 3.93Å; F1682-F1704 HydrophobicContact CD1-CZ 3.93Å; F1682-F1704 HydrophobicContact CE1-CE1 4.37Å; F1682-F1704 HydrophobicContact CE1-CZ 4.24Å |
| 1705 | V | 94.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -130.4 | 101.9 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | N1522 L1523 V1710 L1734 I1739 | N1522-V1705 PolarHBondContact OD1-N 3.18Å; L1523-V1705 HydrophobicContact CB-CB 4.28Å; L1523-V1705 HydrophobicContact CB-CG1 4.17Å; L1523-V1705 WeakPolarHBondContact CB-O 3.36Å; L1523-V1705 WeakPolarHBondContact CG-O 3.21Å; L1523-V1705 PolarHBondContact N-O 3.34Å; V1705-V1710 HydrophobicContact CG1-CG2 4.28Å; V1705-L1734 HydrophobicContact CG2-CD2 4.25Å; V1705-I1739 HydrophobicContact CG1-CG2 4.48Å; V1705-I1739 HydrophobicContact CG2-CD1 4.25Å | ||
| 1706 | S | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -79 | 150.8 | 178 | 66.4 | 0 | 0 | 0 | 0 | 113 | W1409 D1565 E1708 H1709 V1710 | W1409-S1706 PolarHBondContact NE1-OG 3.21Å; W1409-S1706 VanDerWaalsContact NE1-OG 3.16Å; D1565-S1706 WeakPolarHBondContact OD2-CB 3.3Å; D1565-S1706 PolarHBondContact OD2-N 2.85Å; D1565-S1706 PolarHBondContact OD2-OG 3.1Å; S1706-E1708 PolarHBondContact O-N 3.19Å; S1706-H1709 PolarHBondContact O-N 2.85Å; S1706-H1709 PolarHBondContact OG-N 3.43Å; S1706-V1710 PolarHBondContact O-N 2.88Å | ||
| 1707 | P | 96.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.1 | 170.5 | -24.8 | 33 | 0 | 0 | 0 | 113.5 | I990 N993 V994 L1521 L1523 | I990-P1707 HydrophobicContact CG1-CG 4.06Å; N993-P1707 HydrophobicContact CB-CB 4.18Å; N993-P1707 WeakPolarHBondContact CB-O 3.44Å; V994-P1707 HydrophobicContact CG2-CB 4.11Å; L1521-P1707 HydrophobicContact CD2-CG 4.03Å; L1521-P1707 VanDerWaalsContact O-CD 3.31Å; L1521-P1707 WeakPolarHBondContact O-CD 3.48Å; L1523-P1707 HydrophobicContact CD1-CG 4.42Å; L1523-P1707 HydrophobicContact CD2-CG 4.07Å; L1523-P1707 HydrophobicContact CG-CG 4.23Å |
| 1708 | E | 96.1 | Very high | 90.4 | Very high | 23 Ų | 23 | 20 Ų | 20 | 11% | 0.107 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -51.4 | 178.5 | -69.1 | 82.3 | 168.9 | 0 | 0 | 111.3 | Y989 K1410 S1706 | Y989-E1708 VanDerWaalsContact CE1-OE1 3.28Å; Y989-E1708 WeakPolarHBondContact CE1-OE1 3.35Å; Y989-E1708 VanDerWaalsContact CZ-OE1 3.3Å; Y989-E1708 PolarHBondContact OH-OE1 2.87Å; K1410-E1708 HydrophobicContact CB-CG 4.25Å; S1706-E1708 PolarHBondContact O-N 3.19Å |
| 1709 | H | 94.5 | Very high | 89.2 | Confident | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.046 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 3 | -173.6 | -59.1 | 144.3 | 0 | 0 | 0 | 115.1 | W1409 D1565 A1685 S1706 K1711 H1712 C1713 | W1409-H1709 AromaticContact CD1-CE1 3.74Å; W1409-H1709 AromaticContact CD2-CE1 3.7Å; W1409-H1709 AromaticContact CE2-CE1 3.42Å; W1409-H1709 VanDerWaalsContact CE2-CE1 3.42Å; W1409-H1709 AromaticContact CE2-ND1 3.49Å; W1409-H1709 AromaticContact CG-CE1 3.92Å; W1409-H1709 AromaticContact CZ2-CE1 3.92Å; W1409-H1709 AromaticContact CZ2-ND1 3.75Å; W1409-H1709 AromaticContact NE1-CE1 3.4Å; W1409-H1709 PolarHBondContact NE1-CE1 3.09Å; W1409-H1709 AromaticContact NE1-ND1 3.31Å; W1409-H1709 PolarHBondContact NE1-ND1 2.92Å; W1409-H1709 PolarHBondContact O-CE1 3.44Å; W1409-H1709 PolarHBondContact O-NE2 2.84Å; D1565-H1709 WeakPolarHBondContact OD1-CB 3.44Å; D1565-H1709 IonicContact OD1-CE1 3.07Å; D1565-H1709 IonicContact OD1-CG 2.84Å; D1565-H1709 IonicContact OD1-ND1 2.72Å; D1565-H1709 PolarHBondContact OD1-ND1 2.89Å; D1565-H1709 IonicContact OD2-ND1 3.5Å; A1685-H1709 HydrophobicContact CB-CB 4.02Å; S1706-H1709 PolarHBondContact O-N 2.85Å; S1706-H1709 PolarHBondContact OG-N 3.43Å; H1709-K1711 PolarHBondContact O-N 2.92Å; H1709-H1712 WeakPolarHBondContact O-CA 3.29Å; H1709-H1712 WeakPolarHBondContact O-CB 3.46Å; H1709-H1712 PolarHBondContact O-N 2.89Å; H1709-C1713 PolarHBondContact O-N 2.79Å; H1709-C1713 PolarHBondContact O-SG 2.84Å; H1709-C1713 VanDerWaalsContact O-SG 3.41Å |
| 1710 | V | 91.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -53 | -28.5 | 175.6 | 80.6 | 0 | 0 | 0 | 0 | 113.6 | V994 Q997 L1523 V1705 S1706 F1714 V1736 I1740 | V994-V1710 HydrophobicContact CB-CG1 4.44Å; V994-V1710 HydrophobicContact CG1-CG1 4.31Å; V994-V1710 HydrophobicContact CG2-CG1 4.13Å; Q997-V1710 HydrophobicContact CG-CG1 4.28Å; L1523-V1710 HydrophobicContact CD1-CB 4.21Å; L1523-V1710 HydrophobicContact CD1-CG2 4.07Å; V1705-V1710 HydrophobicContact CG1-CG2 4.28Å; S1706-V1710 PolarHBondContact O-N 2.88Å; V1710-F1714 WeakPolarHBondContact O-CB 3.27Å; V1710-F1714 PolarHBondContact O-N 2.82Å; V1710-V1736 HydrophobicContact CG2-CG2 4.35Å; V1710-I1740 HydrophobicContact CG2-CD1 4.07Å; V1710-I1740 HydrophobicContact CG2-CG1 3.66Å |
| 1711 | K | 90 | Very high | 86.2 | Confident | 111 Ų | 111 | 23.8 Ų | 23.8 | 48% | 0.483 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -69.3 | -33.2 | 173.1 | -177.6 | -176 | 176.8 | -161.4 | 0 | 112.6 | Q997 H1709 R1715 | Q997-K1711 HydrophobicContact CG-CB 4.35Å; H1709-K1711 PolarHBondContact O-N 2.92Å; K1711-R1715 PolarHBondContact O-N 2.93Å |
| 1712 | H | 87.6 | Confident | 84.8 | Confident | 48 Ų | 48 | 30.4 Ų | 30.4 | 22% | 0.222 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.7 | -52.4 | 173.6 | -76 | -117 | 0 | 0 | 0 | 109.5 | A1685 H1709 F1714 R1715 L1716 | A1685-H1712 HydrophobicContact CB-CB 4.25Å; H1709-H1712 WeakPolarHBondContact O-CA 3.29Å; H1709-H1712 WeakPolarHBondContact O-CB 3.46Å; H1709-H1712 PolarHBondContact O-N 2.89Å; H1712-F1714 PolarHBondContact O-N 2.93Å; H1712-F1714 VanDerWaalsContact O-N 3.17Å; H1712-R1715 PolarHBondContact CD2-NH2 2.74Å; H1712-R1715 PolarHBondContact CE1-NH2 2.87Å; H1712-R1715 PolarHBondContact NE2-NH2 3.45Å; H1712-R1715 PolarHBondContact O-N 2.88Å; H1712-L1716 HydrophobicContact CB-CD1 4.37Å; H1712-L1716 WeakPolarHBondContact O-CB 3.36Å; H1712-L1716 VanDerWaalsContact O-CG 3.26Å; H1712-L1716 WeakPolarHBondContact O-CG 3.35Å; H1712-L1716 PolarHBondContact O-N 3.03Å |
| 1713 | C | 86.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -50.4 | -44.4 | 173.6 | -51.3 | 0 | 0 | 0 | 0 | 112.1 | V1563 H1709 R1715 T1717 L1734 V1736 | V1563-C1713 WeakPolarHBondContact O-CA 3.41Å; V1563-C1713 WeakPolarHBondContact O-CB 3.48Å; V1563-C1713 PolarHBondContact O-SG 2.68Å; H1709-C1713 PolarHBondContact O-N 2.79Å; H1709-C1713 PolarHBondContact O-SG 2.84Å; H1709-C1713 VanDerWaalsContact O-SG 3.41Å; C1713-R1715 PolarHBondContact O-N 2.78Å; C1713-T1717 WeakPolarHBondContact O-CB 3.47Å; C1713-T1717 PolarHBondContact O-N 2.74Å; C1713-T1717 PolarHBondContact O-OG1 2.93Å; C1713-L1734 HydrophobicContact CB-CD1 4.21Å; C1713-V1736 HydrophobicContact CB-CG2 4.11Å |
| 1714 | F | 84 | Confident | 81.3 | Confident | 19 Ų | 19 | 32.4 Ų | 32.4 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66 | -32.9 | 178.6 | -179.3 | -120.2 | 0 | 0 | 0 | 114.2 | L1001 V1710 H1712 Q1718 V1736 K1737 I1740 | L1001-F1714 HydrophobicContact CD2-CE2 3.67Å; L1001-F1714 HydrophobicContact CD2-CZ 3.78Å; V1710-F1714 WeakPolarHBondContact O-CB 3.27Å; V1710-F1714 PolarHBondContact O-N 2.82Å; H1712-F1714 PolarHBondContact O-N 2.93Å; H1712-F1714 VanDerWaalsContact O-N 3.17Å; F1714-Q1718 VanDerWaalsContact CZ-NE2 3.31Å; F1714-Q1718 PolarHBondContact O-NE2 3.07Å; F1714-V1736 HydrophobicContact CB-CG2 4.32Å; F1714-V1736 HydrophobicContact CD2-CG1 4.16Å; F1714-K1737 HydrophobicContact CE2-CG 4.1Å; F1714-I1740 HydrophobicContact CB-CD1 4.25Å; F1714-I1740 HydrophobicContact CD2-CD1 4.09Å; F1714-I1740 HydrophobicContact CG-CD1 4.23Å |
| 1715 | R | 84.4 | Confident | 79.1 | Confident | 89 Ų | 89 | 36.5 Ų | 36.5 | 34% | 0.336 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -80.8 | -45.5 | 177.6 | -156.1 | -166.3 | -28.9 | 97.2 | 6.3 | 111.6 | K1711 H1712 C1713 T1717 Q1718 E1719 | K1711-R1715 PolarHBondContact O-N 2.93Å; H1712-R1715 PolarHBondContact CD2-NH2 2.74Å; H1712-R1715 PolarHBondContact CE1-NH2 2.87Å; H1712-R1715 PolarHBondContact NE2-NH2 3.45Å; H1712-R1715 PolarHBondContact O-N 2.88Å; C1713-R1715 PolarHBondContact O-N 2.78Å; R1715-T1717 VanDerWaalsContact C-N 3.34Å; R1715-T1717 PolarHBondContact O-N 3.26Å; R1715-Q1718 CarbonylContact O-C 3.29Å; R1715-Q1718 VanDerWaalsContact O-CA 3.3Å; R1715-Q1718 WeakPolarHBondContact O-CA 3.43Å; R1715-Q1718 VanDerWaalsContact O-CB 3.3Å; R1715-Q1718 WeakPolarHBondContact O-CB 3.32Å; R1715-Q1718 PolarHBondContact O-N 3.07Å; R1715-E1719 WeakPolarHBondContact CD-OE1 3.47Å; R1715-E1719 WeakPolarHBondContact CG-OE1 3.45Å; R1715-E1719 IonicContact NH1-OE1 2.72Å; R1715-E1719 PolarHBondContact NH1-OE1 2.75Å; R1715-E1719 WeakPolarHBondContact O-CG 3.42Å; R1715-E1719 PolarHBondContact O-N 3.28Å |
| 1716 | L | 80.8 | Confident | 76.7 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 176 | -62.1 | 163.6 | 0 | 0 | 0 | 110.5 | L1561 V1563 G1686 H1712 Q1718 E1719 F1720 | L1561-L1716 HydrophobicContact CD1-CD2 3.88Å; V1563-L1716 HydrophobicContact CG1-CB 4.26Å; G1686-L1716 VanDerWaalsContact CA-CD1 3.46Å; H1712-L1716 HydrophobicContact CB-CD1 4.37Å; H1712-L1716 WeakPolarHBondContact O-CB 3.36Å; H1712-L1716 VanDerWaalsContact O-CG 3.26Å; H1712-L1716 WeakPolarHBondContact O-CG 3.35Å; H1712-L1716 PolarHBondContact O-N 3.03Å; L1716-Q1718 PolarHBondContact O-N 2.84Å; L1716-E1719 PolarHBondContact O-N 3Å; L1716-F1720 HydrophobicContact CB-CD2 4.46Å; L1716-F1720 WeakPolarHBondContact O-CD2 3.21Å; L1716-F1720 PolarHBondContact O-N 3.48Å |
| 1717 | T | 74.6 | Confident | 74.5 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.4 | -0.6 | 173.4 | -47.5 | 0 | 0 | 0 | 0 | 113.2 | C1713 R1715 R1721 D1732 V1736 | C1713-T1717 WeakPolarHBondContact O-CB 3.47Å; C1713-T1717 PolarHBondContact O-N 2.74Å; C1713-T1717 PolarHBondContact O-OG1 2.93Å; R1715-T1717 VanDerWaalsContact C-N 3.34Å; R1715-T1717 PolarHBondContact O-N 3.26Å; T1717-R1721 WeakPolarHBondContact O-CG 3.43Å; T1717-R1721 PolarHBondContact O-NE 3.42Å; T1717-R1721 PolarHBondContact O-NH2 2.7Å; T1717-D1732 HydrophobicContact CG2-CB 4.24Å; T1717-V1736 HydrophobicContact CG2-CG1 3.83Å |
| 1718 | Q | 73.9 | Confident | 72 | Confident | 65 Ų | 65 | 46.7 Ų | 46.7 | 30% | 0.304 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -105.5 | -42.4 | 164.4 | -70.9 | 169.6 | 77.9 | 0 | 0 | 111.7 | F1714 R1715 L1716 F1720 R1721 H1722 | F1714-Q1718 VanDerWaalsContact CZ-NE2 3.31Å; F1714-Q1718 PolarHBondContact O-NE2 3.07Å; R1715-Q1718 CarbonylContact O-C 3.29Å; R1715-Q1718 VanDerWaalsContact O-CA 3.3Å; R1715-Q1718 WeakPolarHBondContact O-CA 3.43Å; R1715-Q1718 VanDerWaalsContact O-CB 3.3Å; R1715-Q1718 WeakPolarHBondContact O-CB 3.32Å; R1715-Q1718 PolarHBondContact O-N 3.07Å; L1716-Q1718 PolarHBondContact O-N 2.84Å; Q1718-F1720 PolarHBondContact O-N 2.68Å; Q1718-R1721 VanDerWaalsContact O-CB 3.23Å; Q1718-R1721 WeakPolarHBondContact O-CB 3.34Å; Q1718-R1721 WeakPolarHBondContact O-CG 3.48Å; Q1718-R1721 PolarHBondContact O-N 2.9Å; Q1718-H1722 PolarHBondContact O-CE1 2.85Å; Q1718-H1722 PolarHBondContact O-ND1 3Å |
| 1719 | E | 73 | Confident | 69.9 | Low | 53 Ų | 53 | 47.7 Ų | 47.7 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.7 | -50.7 | 174.9 | -67.2 | 165.5 | -126.5 | 0 | 0 | 111.1 | R1626 R1715 L1716 R1721 H1722 | R1626-E1719 IonicContact NH2-OE2 2.73Å; R1715-E1719 WeakPolarHBondContact CD-OE1 3.47Å; R1715-E1719 WeakPolarHBondContact CG-OE1 3.45Å; R1715-E1719 IonicContact NH1-OE1 2.72Å; R1715-E1719 PolarHBondContact NH1-OE1 2.75Å; R1715-E1719 WeakPolarHBondContact O-CG 3.42Å; R1715-E1719 PolarHBondContact O-N 3.28Å; L1716-E1719 PolarHBondContact O-N 3Å; E1719-R1721 PolarHBondContact O-N 2.7Å; E1719-H1722 PolarHBondContact O-N 3.28Å |
| 1720 | F | 67.1 | Low | 67.9 | Low | 13 Ų | 13 | 49 Ų | 49 | 6% | 0.057 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -17.9 | 175.9 | -84.1 | -84.1 | 0 | 0 | 0 | 114.8 | L1561 V1563 H1648 L1716 Q1718 L1723 H1727 N1729 H1730 | L1561-F1720 HydrophobicContact CD1-CE2 4.15Å; L1561-F1720 HydrophobicContact CD1-CZ 4.37Å; V1563-F1720 HydrophobicContact CG1-CD2 3.52Å; V1563-F1720 HydrophobicContact CG1-CE2 3.28Å; V1563-F1720 HydrophobicContact CG1-CZ 4.11Å; H1648-F1720 AromaticContact CE1-CE1 3.56Å; H1648-F1720 AromaticContact CE1-CE2 3.44Å; H1648-F1720 VanDerWaalsContact CE1-CE2 3.44Å; H1648-F1720 WeakPolarHBondContact CE1-CE2 3.46Å; H1648-F1720 AromaticContact CE1-CZ 3.2Å; H1648-F1720 WeakPolarHBondContact CE1-CZ 3.36Å; H1648-F1720 AromaticContact ND1-CE1 3.55Å; H1648-F1720 AromaticContact ND1-CZ 3.44Å; H1648-F1720 WeakPolarHBondContact ND1-CZ 3.43Å; L1716-F1720 HydrophobicContact CB-CD2 4.46Å; L1716-F1720 WeakPolarHBondContact O-CD2 3.21Å; L1716-F1720 PolarHBondContact O-N 3.48Å; Q1718-F1720 PolarHBondContact O-N 2.68Å; F1720-L1723 HydrophobicContact CD1-CD1 3.75Å; F1720-L1723 HydrophobicContact CE1-CD1 4.34Å; F1720-L1723 HydrophobicContact CG-CD1 4.35Å; F1720-H1727 AromaticContact CE1-CE1 3.53Å; F1720-N1729 HydrophobicContact CD1-CB 4.15Å; F1720-N1729 WeakPolarHBondContact CD1-O 3.47Å; F1720-N1729 HydrophobicContact CE1-CB 3.96Å; F1720-H1730 PolarHBondContact O-CE1 3.34Å; F1720-H1730 PolarHBondContact O-ND1 2.76Å |
| 1721 | R | 64.9 | Low | 66.3 | Low | 22 Ų | 22 | 51 Ų | 51 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -16.6 | 176.4 | -49 | -178.9 | -176.6 | -125.8 | -27.1 | 114 | T1036 D1055 T1717 Q1718 E1719 D1732 | T1036-R1721 HydrophobicContact CG2-CG 3.72Å; T1036-R1721 VanDerWaalsContact OG1-CZ 3.32Å; T1036-R1721 PolarHBondContact OG1-NH1 3.1Å; D1055-R1721 IonicContact OD2-NH1 3.56Å; T1717-R1721 WeakPolarHBondContact O-CG 3.43Å; T1717-R1721 PolarHBondContact O-NE 3.42Å; T1717-R1721 PolarHBondContact O-NH2 2.7Å; Q1718-R1721 VanDerWaalsContact O-CB 3.23Å; Q1718-R1721 WeakPolarHBondContact O-CB 3.34Å; Q1718-R1721 WeakPolarHBondContact O-CG 3.48Å; Q1718-R1721 PolarHBondContact O-N 2.9Å; E1719-R1721 PolarHBondContact O-N 2.7Å; R1721-D1732 IonicContact NH2-OD2 3.08Å |
| 1722 | H | 63.7 | Low | 65 | Low | 148 Ų | 148 | 46 Ų | 46 | 69% | 0.685 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -107.4 | -2.9 | -173.8 | -60.3 | 88.8 | 0 | 0 | 0 | 112.5 | Q1718 E1719 | Q1718-H1722 PolarHBondContact O-CE1 2.85Å; Q1718-H1722 PolarHBondContact O-ND1 3Å; E1719-H1722 PolarHBondContact O-N 3.28Å |
| 1723 | L | 63.7 | Low | 64.1 | Low | 23 Ų | 23 | 46.4 Ų | 46.4 | 12% | 0.12 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -64.7 | 152.8 | 169 | -51.8 | 179.1 | 0 | 0 | 0 | 109.8 | H1648 F1720 H1727 H1730 | H1648-L1723 HydrophobicContact CB-CD1 4.19Å; H1648-L1723 VanDerWaalsContact CD2-CD1 3.48Å; H1648-L1723 WeakPolarHBondContact CD2-CD1 3.22Å; F1720-L1723 HydrophobicContact CD1-CD1 3.75Å; F1720-L1723 HydrophobicContact CE1-CD1 4.34Å; F1720-L1723 HydrophobicContact CG-CD1 4.35Å; L1723-H1727 HydrophobicContact CB-CB 4.18Å; L1723-H1730 VanDerWaalsContact CA-NE2 3.25Å; L1723-H1730 WeakPolarHBondContact CA-NE2 3.36Å; L1723-H1730 WeakPolarHBondContact CB-NE2 3.42Å; L1723-H1730 PolarHBondContact O-NE2 2.71Å |
| 1724 | S | 49 | Very low | 63.6 | Low | 42 Ų | 42 | 46.6 Ų | 46.6 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | trans | -68.4 | 140.2 | 178.2 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | T1726 H1727 H1730 | S1724-T1726 PolarHBondContact O-N 2.91Å; S1724-T1726 PolarHBondContact OG-OG1 3.19Å; S1724-H1727 WeakPolarHBondContact O-CB 3.28Å; S1724-H1727 PolarHBondContact O-N 3.24Å; S1724-H1730 PolarHBondContact N-NE2 2.99Å; S1724-H1730 PolarHBondContact O-NE2 3.15Å | ||
| 1725 | N | 48.8 | Very low | 63.7 | Low | 86 Ų | 86 | 46 Ų | 46 | 46% | 0.46 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -18.3 | -173.1 | -60.1 | 19.7 | 0 | 0 | 0 | 117.5 | V1076 F1077 H1727 | V1076-N1725 WeakPolarHBondContact CG1-OD1 3.17Å; V1076-N1725 PolarHBondContact O-ND2 3.27Å; F1077-N1725 WeakPolarHBondContact CE1-OD1 3.37Å; F1077-N1725 WeakPolarHBondContact CZ-OD1 3.36Å; N1725-H1727 VanDerWaalsContact C-N 3.25Å |
| 1726 | T | 43.6 | Very low | 63.8 | Low | 126 Ų | 126 | 41.9 Ų | 41.9 | 77% | 0.773 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -15.9 | 174.8 | 42.2 | 0 | 0 | 0 | 0 | 113 | S1724 | S1724-T1726 PolarHBondContact O-N 2.91Å; S1724-T1726 PolarHBondContact OG-OG1 3.19Å |
| 1727 | H | 51.1 | Low | 64.2 | Low | 15 Ų | 15 | 43.3 Ų | 43.3 | 7% | 0.069 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -75 | 139.3 | 179.2 | -167.3 | -93.5 | 0 | 0 | 0 | 111.3 | H1648 D1649 F1720 L1723 S1724 N1725 N1729 H1730 | H1648-H1727 VanDerWaalsContact CA-NE2 3.28Å; H1648-H1727 WeakPolarHBondContact CA-NE2 3.47Å; H1648-H1727 VanDerWaalsContact CB-NE2 3.28Å; H1648-H1727 WeakPolarHBondContact CB-NE2 3.46Å; H1648-H1727 PolarHBondContact O-NE2 3.26Å; D1649-H1727 PolarHBondContact N-NE2 3.5Å; D1649-H1727 IonicContact OD1-CD2 3.51Å; D1649-H1727 IonicContact OD1-NE2 3.45Å; F1720-H1727 AromaticContact CE1-CE1 3.53Å; L1723-H1727 HydrophobicContact CB-CB 4.18Å; S1724-H1727 WeakPolarHBondContact O-CB 3.28Å; S1724-H1727 PolarHBondContact O-N 3.24Å; N1725-H1727 VanDerWaalsContact C-N 3.25Å; H1727-N1729 WeakPolarHBondContact CE1-CB 3.46Å; H1727-N1729 PolarHBondContact ND1-N 3.29Å; H1727-N1729 PolarHBondContact O-N 3.48Å; H1727-H1730 WeakPolarHBondContact CB-NE2 3.45Å; H1727-H1730 PolarHBondContact O-CD2 3.44Å |
| 1728 | T | 43.4 | Very low | 65 | Low | 74 Ų | 74 | 43.3 Ų | 43.3 | 45% | 0.454 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -0 | -168.6 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1729 | N | 52.1 | Low | 65.9 | Low | 44 Ų | 44 | 40.2 Ų | 40.2 | 24% | 0.235 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | 30.5 | -162.8 | -134 | 2.4 | 0 | 0 | 0 | 114.6 | F1720 H1727 E1731 K1733 | F1720-N1729 HydrophobicContact CD1-CB 4.15Å; F1720-N1729 WeakPolarHBondContact CD1-O 3.47Å; F1720-N1729 HydrophobicContact CE1-CB 3.96Å; H1727-N1729 WeakPolarHBondContact CE1-CB 3.46Å; H1727-N1729 PolarHBondContact ND1-N 3.29Å; H1727-N1729 PolarHBondContact O-N 3.48Å; N1729-E1731 VanDerWaalsContact C-N 3.28Å; N1729-E1731 PolarHBondContact O-N 2.92Å; N1729-K1733 PolarHBondContact OD1-NZ 3.36Å |
| 1730 | H | 52.2 | Low | 66.9 | Low | 38 Ų | 38 | 37.7 Ų | 37.7 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | trans | -65.1 | -25.2 | 176.7 | -64.5 | -54.5 | 0 | 0 | 0 | 115.2 | F1720 L1723 S1724 H1727 D1732 | F1720-H1730 PolarHBondContact O-CE1 3.34Å; F1720-H1730 PolarHBondContact O-ND1 2.76Å; L1723-H1730 VanDerWaalsContact CA-NE2 3.25Å; L1723-H1730 WeakPolarHBondContact CA-NE2 3.36Å; L1723-H1730 WeakPolarHBondContact CB-NE2 3.42Å; L1723-H1730 PolarHBondContact O-NE2 2.71Å; S1724-H1730 PolarHBondContact N-NE2 2.99Å; S1724-H1730 PolarHBondContact O-NE2 3.15Å; H1727-H1730 WeakPolarHBondContact CB-NE2 3.45Å; H1727-H1730 PolarHBondContact O-CD2 3.44Å; H1730-D1732 PolarHBondContact O-N 3.08Å | ||
| 1731 | E | 57.2 | Low | 68.3 | Low | 43 Ų | 43 | 37.1 Ų | 37.1 | 20% | 0.201 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -62.2 | 120.7 | -178.6 | -68.4 | -173.2 | 163 | 0 | 0 | 110.7 | S816 N1729 K1733 | S816-E1731 VanDerWaalsContact CB-OE1 3.31Å; S816-E1731 WeakPolarHBondContact CB-OE1 3.45Å; S816-E1731 PolarHBondContact OG-OE1 2.67Å; N1729-E1731 VanDerWaalsContact C-N 3.28Å; N1729-E1731 PolarHBondContact O-N 2.92Å; E1731-K1733 HydrophobicContact CB-CG 4.43Å; E1731-K1733 PolarHBondContact O-N 2.68Å |
| 1732 | D | 64.3 | Low | 69.6 | Low | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | trans | -53.9 | 113.4 | 158.2 | 172.6 | -5.4 | 0 | 0 | 0 | 107.1 | R1028 T1036 T1037 T1717 R1721 H1730 L1734 Q1735 | R1028-D1732 PolarHBondContact NH1-O 3.09Å; R1028-D1732 PolarHBondContact NH2-O 3.22Å; R1028-D1732 IonicContact NH2-OD1 3.36Å; R1028-D1732 PolarHBondContact NH2-OD1 2.77Å; R1028-D1732 IonicContact NH2-OD2 3.27Å; T1036-D1732 HydrophobicContact CG2-CB 3.76Å; T1037-D1732 VanDerWaalsContact CB-OD2 3.31Å; T1037-D1732 WeakPolarHBondContact CB-OD2 3.36Å; T1037-D1732 PolarHBondContact N-OD2 2.87Å; T1037-D1732 VanDerWaalsContact N-OD2 3.1Å; T1037-D1732 PolarHBondContact OG1-OD2 3.24Å; T1717-D1732 HydrophobicContact CG2-CB 4.24Å; R1721-D1732 IonicContact NH2-OD2 3.08Å; H1730-D1732 PolarHBondContact O-N 3.08Å; D1732-L1734 PolarHBondContact OD1-N 3.32Å; D1732-Q1735 WeakPolarHBondContact OD1-CA 3.21Å; D1732-Q1735 PolarHBondContact OD1-N 2.81Å | ||
| 1733 | K | 67.6 | Low | 71.1 | Confident | 57 Ų | 57 | 29 Ų | 29 | 25% | 0.248 | 16% | 0.158 | C | C | . | . | trans | -96.3 | -35.4 | 177 | -75.3 | 168.9 | -180 | 170.8 | 0 | 112.1 | P1534 N1729 E1731 | P1534-K1733 WeakPolarHBondContact CB-O 3.46Å; N1729-K1733 PolarHBondContact OD1-NZ 3.36Å; E1731-K1733 HydrophobicContact CB-CG 4.43Å; E1731-K1733 PolarHBondContact O-N 2.68Å | ||
| 1734 | L | 76.2 | Confident | 72.6 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -78.8 | -21.7 | -171.9 | -72.4 | -179.5 | 0 | 0 | 0 | 116.6 | P1534 L1536 V1563 V1705 C1713 D1732 V1736 I1739 | P1534-L1734 HydrophobicContact CB-CD2 4.4Å; L1536-L1734 HydrophobicContact CD2-CD2 3.84Å; V1563-L1734 HydrophobicContact CB-CD1 3.9Å; V1563-L1734 HydrophobicContact CG2-CD1 3.78Å; V1563-L1734 HydrophobicContact CG2-CG 3.95Å; V1563-L1734 WeakPolarHBondContact O-CD1 3.35Å; V1705-L1734 HydrophobicContact CG2-CD2 4.25Å; C1713-L1734 HydrophobicContact CB-CD1 4.21Å; D1732-L1734 PolarHBondContact OD1-N 3.32Å; L1734-V1736 HydrophobicContact CB-CB 4.37Å; L1734-V1736 PolarHBondContact O-N 3.23Å; L1734-I1739 VanDerWaalsContact O-CD1 3.23Å; L1734-I1739 WeakPolarHBondContact O-CD1 3.25Å |
| 1735 | Q | 85.1 | Confident | 74.8 | Confident | 7 Ų | 7 | 26.6 Ų | 26.6 | 3% | 0.033 | 14% | 0.141 | C | C | . | . | trans | 52 | 35.4 | -166.7 | -56.1 | -178 | 40.9 | 0 | 0 | 113.4 | R1028 T1037 V1532 D1732 K1737 N1738 I1739 | R1028-Q1735 VanDerWaalsContact NH2-CG 3.26Å; T1037-Q1735 HydrophobicContact CG2-CG 4.16Å; V1532-Q1735 PolarHBondContact O-NE2 3.07Å; D1732-Q1735 WeakPolarHBondContact OD1-CA 3.21Å; D1732-Q1735 PolarHBondContact OD1-N 2.81Å; Q1735-K1737 PolarHBondContact O-N 2.91Å; Q1735-N1738 HydrophobicContact CB-CB 4.31Å; Q1735-N1738 WeakPolarHBondContact O-CA 3.12Å; Q1735-N1738 WeakPolarHBondContact O-CB 3.44Å; Q1735-N1738 PolarHBondContact O-N 3.32Å; Q1735-N1738 PolarHBondContact OE1-ND2 2.9Å; Q1735-I1739 PolarHBondContact O-N 3.33Å | ||
| 1736 | V | 87.3 | Confident | 77 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -52 | -30.3 | -167.5 | 65.8 | 0 | 0 | 0 | 0 | 114.9 | V1710 C1713 F1714 T1717 L1734 N1738 I1739 I1740 | V1710-V1736 HydrophobicContact CG2-CG2 4.35Å; C1713-V1736 HydrophobicContact CB-CG2 4.11Å; F1714-V1736 HydrophobicContact CB-CG2 4.32Å; F1714-V1736 HydrophobicContact CD2-CG1 4.16Å; T1717-V1736 HydrophobicContact CG2-CG1 3.83Å; L1734-V1736 HydrophobicContact CB-CB 4.37Å; L1734-V1736 PolarHBondContact O-N 3.23Å; V1736-N1738 PolarHBondContact O-N 3.16Å; V1736-I1739 PolarHBondContact O-N 2.87Å; V1736-I1740 HydrophobicContact CG2-CD1 4.03Å; V1736-I1740 HydrophobicContact CG2-CG1 4.44Å; V1736-I1740 VanDerWaalsContact O-CG1 3.3Å; V1736-I1740 WeakPolarHBondContact O-CG1 3.49Å; V1736-I1740 PolarHBondContact O-N 2.86Å |
| 1737 | K | 90.1 | Very high | 79.4 | Confident | 33 Ų | 33 | 17.9 Ų | 17.9 | 14% | 0.143 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 174.9 | -59.3 | -174.7 | 176.8 | 174.8 | 0 | 112.2 | L1001 F1039 D1055 F1714 Q1735 Y1741 | L1001-K1737 HydrophobicContact CD1-CB 4.37Å; L1001-K1737 HydrophobicContact CD2-CB 4.35Å; L1001-K1737 HydrophobicContact CD2-CD 4.06Å; L1001-K1737 HydrophobicContact CD2-CG 3.91Å; F1039-K1737 HydrophobicContact CB-CB 4Å; F1039-K1737 HydrophobicContact CB-CD 3.84Å; F1039-K1737 HydrophobicContact CD1-CB 4.46Å; F1039-K1737 HydrophobicContact CD2-CB 3.56Å; F1039-K1737 HydrophobicContact CE2-CB 4.11Å; F1039-K1737 WeakPolarHBondContact CE2-O 3.37Å; F1039-K1737 HydrophobicContact CG-CB 3.75Å; F1039-K1737 HydrophobicContact CG-CD 4.2Å; D1055-K1737 IonicContact OD2-NZ 3.66Å; F1714-K1737 HydrophobicContact CE2-CG 4.1Å; Q1735-K1737 PolarHBondContact O-N 2.91Å; K1737-Y1741 PolarHBondContact O-N 2.92Å; K1737-Y1741 VanDerWaalsContact O-N 3.16Å |
| 1738 | N | 91.7 | Very high | 81.4 | Confident | 8 Ų | 8 | 17.1 Ų | 17.1 | 4% | 0.043 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -70 | -41.8 | 174.5 | -66.6 | -18.3 | 0 | 0 | 0 | 111.2 | F1039 L1527 Q1735 V1736 I1740 Y1741 H1742 | F1039-N1738 WeakPolarHBondContact CD2-OD1 3.35Å; L1527-N1738 HydrophobicContact CD2-CB 3.62Å; Q1735-N1738 HydrophobicContact CB-CB 4.31Å; Q1735-N1738 WeakPolarHBondContact O-CA 3.12Å; Q1735-N1738 WeakPolarHBondContact O-CB 3.44Å; Q1735-N1738 PolarHBondContact O-N 3.32Å; Q1735-N1738 PolarHBondContact OE1-ND2 2.9Å; V1736-N1738 PolarHBondContact O-N 3.16Å; N1738-I1740 PolarHBondContact O-N 3.33Å; N1738-Y1741 PolarHBondContact O-N 2.81Å; N1738-H1742 PolarHBondContact O-CD2 2.88Å; N1738-H1742 VanDerWaalsContact O-CD2 3.31Å; N1738-H1742 PolarHBondContact O-N 2.77Å |
| 1739 | I | 92.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -56.8 | -51.9 | 175.9 | -66.9 | 178.7 | 0 | 0 | 0 | 110.4 | L1523 A1524 L1527 V1705 L1734 Q1735 V1736 Y1741 H1742 A1743 | L1523-I1739 HydrophobicContact CB-CG2 3.53Å; A1524-I1739 HydrophobicContact CB-CD1 4.35Å; L1527-I1739 HydrophobicContact CD1-CD1 4.31Å; L1527-I1739 HydrophobicContact CD1-CG1 3.73Å; L1527-I1739 HydrophobicContact CD2-CG1 4.03Å; L1527-I1739 HydrophobicContact CG-CG1 3.81Å; V1705-I1739 HydrophobicContact CG1-CG2 4.48Å; V1705-I1739 HydrophobicContact CG2-CD1 4.25Å; L1734-I1739 VanDerWaalsContact O-CD1 3.23Å; L1734-I1739 WeakPolarHBondContact O-CD1 3.25Å; Q1735-I1739 PolarHBondContact O-N 3.33Å; V1736-I1739 PolarHBondContact O-N 2.87Å; I1739-Y1741 VanDerWaalsContact C-N 3.31Å; I1739-Y1741 PolarHBondContact O-N 3.13Å; I1739-H1742 PolarHBondContact O-N 2.84Å; I1739-A1743 VanDerWaalsContact O-CB 3.29Å; I1739-A1743 WeakPolarHBondContact O-CB 3.46Å; I1739-A1743 PolarHBondContact O-N 2.95Å |
| 1740 | I | 94 | Very high | 85.6 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -57.2 | -44.1 | 178 | -71 | 165.7 | 0 | 0 | 0 | 111.1 | V994 Q997 F998 L1001 V1710 F1714 V1736 N1738 V1744 | V994-I1740 HydrophobicContact CG1-CB 4.34Å; V994-I1740 HydrophobicContact CG1-CG1 4.18Å; V994-I1740 HydrophobicContact CG1-CG2 4.01Å; Q997-I1740 HydrophobicContact CB-CD1 4.16Å; F998-I1740 HydrophobicContact CB-CG2 3.84Å; F998-I1740 HydrophobicContact CD2-CG2 4.22Å; L1001-I1740 HydrophobicContact CD1-CB 4.02Å; L1001-I1740 HydrophobicContact CD1-CD1 4.42Å; L1001-I1740 HydrophobicContact CD1-CG2 3.63Å; V1710-I1740 HydrophobicContact CG2-CD1 4.07Å; V1710-I1740 HydrophobicContact CG2-CG1 3.66Å; F1714-I1740 HydrophobicContact CB-CD1 4.25Å; F1714-I1740 HydrophobicContact CD2-CD1 4.09Å; F1714-I1740 HydrophobicContact CG-CD1 4.23Å; V1736-I1740 HydrophobicContact CG2-CD1 4.03Å; V1736-I1740 HydrophobicContact CG2-CG1 4.44Å; V1736-I1740 VanDerWaalsContact O-CG1 3.3Å; V1736-I1740 WeakPolarHBondContact O-CG1 3.49Å; V1736-I1740 PolarHBondContact O-N 2.86Å; N1738-I1740 PolarHBondContact O-N 3.33Å; I1740-V1744 WeakPolarHBondContact O-CB 3.29Å; I1740-V1744 VanDerWaalsContact O-CG2 3.31Å; I1740-V1744 WeakPolarHBondContact O-CG2 3.31Å; I1740-V1744 PolarHBondContact O-N 3.42Å |
| 1741 | Y | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.4 | -52.4 | 178.8 | -175.3 | -81.5 | 0 | 0 | 0 | 112.2 | W972 F998 F1039 I1099 L1104 I1107 K1737 N1738 I1739 V1744 K1745 | W972-Y1741 HydrophobicContact CB-CE1 4.47Å; W972-Y1741 HydrophobicContact CE3-CD1 4.07Å; W972-Y1741 AromaticContact CE3-CE1 3.63Å; W972-Y1741 HydrophobicContact CE3-CE1 3.63Å; W972-Y1741 AromaticContact CE3-CZ 3.89Å; W972-Y1741 HydrophobicContact CZ3-CD1 4.38Å; W972-Y1741 HydrophobicContact CZ3-CE1 4.37Å; W972-Y1741 WeakPolarHBondContact O-CE1 3.29Å; W972-Y1741 PolarHBondContact O-OH 2.69Å; F998-Y1741 AromaticContact CE2-CD2 3.71Å; F998-Y1741 HydrophobicContact CE2-CD2 3.71Å; F998-Y1741 HydrophobicContact CE2-CE2 4.27Å; F998-Y1741 HydrophobicContact CE2-CG 4.27Å; F998-Y1741 HydrophobicContact CZ-CD2 4.4Å; F1039-Y1741 HydrophobicContact CE2-CD2 4.31Å; F1039-Y1741 HydrophobicContact CE2-CG 4.44Å; F1039-Y1741 AromaticContact CZ-CD2 3.98Å; F1039-Y1741 HydrophobicContact CZ-CD2 3.98Å; I1099-Y1741 HydrophobicContact CD1-CD2 4.05Å; I1099-Y1741 HydrophobicContact CD1-CE2 3.73Å; L1104-Y1741 HydrophobicContact CB-CE2 4.31Å; L1104-Y1741 HydrophobicContact CD1-CD2 3.81Å; L1104-Y1741 HydrophobicContact CD1-CE2 3.67Å; I1107-Y1741 HydrophobicContact CD1-CE1 4.07Å; I1107-Y1741 HydrophobicContact CD1-CE2 4.37Å; I1107-Y1741 WeakPolarHBondContact CD1-OH 3.29Å; K1737-Y1741 PolarHBondContact O-N 2.92Å; K1737-Y1741 VanDerWaalsContact O-N 3.16Å; N1738-Y1741 PolarHBondContact O-N 2.81Å; I1739-Y1741 VanDerWaalsContact C-N 3.31Å; I1739-Y1741 PolarHBondContact O-N 3.13Å; Y1741-V1744 PolarHBondContact O-N 3.32Å; Y1741-K1745 HydrophobicContact CE1-CB 4.49Å; Y1741-K1745 HydrophobicContact CE1-CD 4.29Å; Y1741-K1745 WeakPolarHBondContact O-CB 3.24Å; Y1741-K1745 PolarHBondContact O-N 3.2Å |
| 1742 | H | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -73.9 | -37.4 | -173.5 | -75 | -75 | 0 | 0 | 0 | 113.1 | R1526 F1531 N1738 I1739 V1744 K1745 D1746 | R1526-H1742 VanDerWaalsContact O-CB 3.25Å; R1526-H1742 WeakPolarHBondContact O-CB 3.43Å; F1531-H1742 AromaticContact CE2-CE1 3.95Å; F1531-H1742 AromaticContact CE2-NE2 3.41Å; F1531-H1742 WeakPolarHBondContact CE2-NE2 3.39Å; F1531-H1742 AromaticContact CZ-NE2 3.72Å; N1738-H1742 PolarHBondContact O-CD2 2.88Å; N1738-H1742 VanDerWaalsContact O-CD2 3.31Å; N1738-H1742 PolarHBondContact O-N 2.77Å; I1739-H1742 PolarHBondContact O-N 2.84Å; H1742-V1744 VanDerWaalsContact C-N 3.29Å; H1742-V1744 PolarHBondContact O-N 3.13Å; H1742-K1745 WeakPolarHBondContact O-CB 3.29Å; H1742-K1745 PolarHBondContact O-N 3.23Å; H1742-D1746 WeakPolarHBondContact O-CB 3.24Å; H1742-D1746 PolarHBondContact O-N 2.93Å |
| 1743 | A | 94.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.008 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.6 | -41 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I990 L1523 R1526 I1739 A1747 | I990-A1743 HydrophobicContact CG2-CB 4.25Å; L1523-A1743 HydrophobicContact CD2-CB 3.88Å; R1526-A1743 HydrophobicContact CB-CB 4.3Å; R1526-A1743 HydrophobicContact CG-CB 4.18Å; I1739-A1743 VanDerWaalsContact O-CB 3.29Å; I1739-A1743 WeakPolarHBondContact O-CB 3.46Å; I1739-A1743 PolarHBondContact O-N 2.95Å; A1743-A1747 VanDerWaalsContact O-CB 3.31Å; A1743-A1747 WeakPolarHBondContact O-CB 3.42Å; A1743-A1747 PolarHBondContact O-N 3.37Å; A1743-A1747 VanDerWaalsContact O-N 3.1Å |
| 1744 | V | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -73 | -39.9 | 176.9 | 168.6 | 0 | 0 | 0 | 0 | 112 | L991 V994 F998 I1107 V1111 I1740 Y1741 H1742 D1746 V1748 | L991-V1744 HydrophobicContact CD2-CB 4.27Å; L991-V1744 HydrophobicContact CD2-CG1 3.91Å; L991-V1744 HydrophobicContact CD2-CG2 4.05Å; V994-V1744 HydrophobicContact CB-CG2 4.24Å; V994-V1744 HydrophobicContact CG1-CG2 3.87Å; F998-V1744 HydrophobicContact CB-CB 4.49Å; F998-V1744 HydrophobicContact CB-CG1 4.38Å; F998-V1744 HydrophobicContact CB-CG2 3.94Å; F998-V1744 HydrophobicContact CD1-CG1 4.07Å; F998-V1744 HydrophobicContact CD2-CB 3.92Å; F998-V1744 HydrophobicContact CD2-CG1 3.88Å; F998-V1744 HydrophobicContact CD2-CG2 4.22Å; F998-V1744 HydrophobicContact CE1-CG1 4.36Å; F998-V1744 HydrophobicContact CE2-CB 4.42Å; F998-V1744 HydrophobicContact CE2-CG1 4.19Å; F998-V1744 HydrophobicContact CG-CB 4.18Å; F998-V1744 HydrophobicContact CG-CG1 3.83Å; F998-V1744 HydrophobicContact CG-CG2 4.18Å; F998-V1744 HydrophobicContact CZ-CG1 4.44Å; I1107-V1744 HydrophobicContact CG2-CG1 4.12Å; V1111-V1744 HydrophobicContact CG2-CG1 3.29Å; I1740-V1744 WeakPolarHBondContact O-CB 3.29Å; I1740-V1744 VanDerWaalsContact O-CG2 3.31Å; I1740-V1744 WeakPolarHBondContact O-CG2 3.31Å; I1740-V1744 PolarHBondContact O-N 3.42Å; Y1741-V1744 PolarHBondContact O-N 3.32Å; H1742-V1744 VanDerWaalsContact C-N 3.29Å; H1742-V1744 PolarHBondContact O-N 3.13Å; V1744-D1746 VanDerWaalsContact C-N 3.33Å; V1744-D1746 PolarHBondContact O-N 3.37Å; V1744-V1748 HydrophobicContact CG1-CG2 4.35Å; V1744-V1748 WeakPolarHBondContact O-CB 3.39Å; V1744-V1748 VanDerWaalsContact O-CG2 3.29Å; V1744-V1748 WeakPolarHBondContact O-CG2 3.36Å; V1744-V1748 PolarHBondContact O-N 3.04Å |
| 1745 | K | 94.9 | Very high | 91.3 | Very high | 13 Ų | 13 | 14 Ų | 14 | 6% | 0.057 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -53.5 | -50.7 | 173.6 | -173.6 | -168 | 81.1 | 150.1 | 0 | 111.1 | L971 W972 P974 I1107 Y1741 H1742 G1749 | L971-K1745 PolarHBondContact O-NZ 2.71Å; W972-K1745 WeakPolarHBondContact O-CD 3.42Å; P974-K1745 HydrophobicContact CB-CG 4.21Å; P974-K1745 HydrophobicContact CG-CG 3.73Å; P974-K1745 WeakPolarHBondContact CG-O 3.49Å; I1107-K1745 HydrophobicContact CD1-CB 4.02Å; I1107-K1745 HydrophobicContact CD1-CG 3.8Å; Y1741-K1745 HydrophobicContact CE1-CB 4.49Å; Y1741-K1745 HydrophobicContact CE1-CD 4.29Å; Y1741-K1745 WeakPolarHBondContact O-CB 3.24Å; Y1741-K1745 PolarHBondContact O-N 3.2Å; H1742-K1745 WeakPolarHBondContact O-CB 3.29Å; H1742-K1745 PolarHBondContact O-N 3.23Å; K1745-G1749 PolarHBondContact O-N 3.39Å |
| 1746 | D | 93.7 | Very high | 90.9 | Very high | 29 Ų | 29 | 16.3 Ų | 16.3 | 16% | 0.155 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -72.7 | -42.2 | -174.4 | -71.1 | 4.8 | 0 | 0 | 0 | 111.7 | A979 H1742 V1744 V1748 G1749 T1750 | A979-D1746 HydrophobicContact CB-CB 3.8Å; H1742-D1746 WeakPolarHBondContact O-CB 3.24Å; H1742-D1746 PolarHBondContact O-N 2.93Å; V1744-D1746 VanDerWaalsContact C-N 3.33Å; V1744-D1746 PolarHBondContact O-N 3.37Å; D1746-V1748 PolarHBondContact O-N 2.91Å; D1746-G1749 PolarHBondContact O-N 3.37Å; D1746-T1750 PolarHBondContact O-N 2.9Å |
| 1747 | A | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I982 I990 L991 A1743 G1749 T1750 L1751 | I982-A1747 HydrophobicContact CD1-CB 4.19Å; I990-A1747 HydrophobicContact CB-CB 4.37Å; I990-A1747 HydrophobicContact CG2-CB 4.05Å; L991-A1747 HydrophobicContact CD2-CB 3.96Å; L991-A1747 HydrophobicContact CG-CB 3.97Å; A1743-A1747 VanDerWaalsContact O-CB 3.31Å; A1743-A1747 WeakPolarHBondContact O-CB 3.42Å; A1743-A1747 PolarHBondContact O-N 3.37Å; A1743-A1747 VanDerWaalsContact O-N 3.1Å; A1747-G1749 VanDerWaalsContact C-N 3.33Å; A1747-G1749 PolarHBondContact O-N 2.91Å; A1747-T1750 PolarHBondContact O-N 2.69Å; A1747-L1751 WeakPolarHBondContact O-CG 3.17Å; A1747-L1751 PolarHBondContact O-N 2.75Å |
| 1748 | V | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | 174.1 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | L991 M1110 V1111 V1744 D1746 K1752 | L991-V1748 HydrophobicContact CD1-CG2 3.76Å; L991-V1748 HydrophobicContact CD2-CG2 4.09Å; M1110-V1748 HydrophobicContact CB-CG1 3.8Å; M1110-V1748 HydrophobicContact CE-CG1 3.5Å; M1110-V1748 VanDerWaalsContact CE-CG1 3.5Å; V1111-V1748 HydrophobicContact CG2-CG2 3.72Å; V1744-V1748 HydrophobicContact CG1-CG2 4.35Å; V1744-V1748 WeakPolarHBondContact O-CB 3.39Å; V1744-V1748 VanDerWaalsContact O-CG2 3.29Å; V1744-V1748 WeakPolarHBondContact O-CG2 3.36Å; V1744-V1748 PolarHBondContact O-N 3.04Å; D1746-V1748 PolarHBondContact O-N 2.91Å; V1748-K1752 WeakPolarHBondContact O-CB 3.41Å; V1748-K1752 WeakPolarHBondContact O-CG 3.16Å; V1748-K1752 PolarHBondContact O-N 2.81Å |
| 1749 | G | 92.5 | Very high | 89 | Confident | 7 Ų | 7 | 28 Ų | 28 | 7% | 0.072 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.6 | -52.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1745 D1746 A1747 K1752 A1753 | K1745-G1749 PolarHBondContact O-N 3.39Å; D1746-G1749 PolarHBondContact O-N 3.37Å; A1747-G1749 VanDerWaalsContact C-N 3.33Å; A1747-G1749 PolarHBondContact O-N 2.91Å; G1749-K1752 PolarHBondContact O-N 3.26Å; G1749-A1753 WeakPolarHBondContact O-CB 3.11Å; G1749-A1753 PolarHBondContact O-N 2.84Å |
| 1750 | T | 91.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -40.7 | 179.3 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | L978 A979 I982 S987 D1746 A1747 K1752 A1753 H1754 | L978-T1750 HydrophobicContact CD2-CG2 3.88Å; A979-T1750 PolarHBondContact N-OG1 3.2Å; I982-T1750 HydrophobicContact CG2-CG2 4.14Å; I982-T1750 VanDerWaalsContact CG2-OG1 3.28Å; I982-T1750 WeakPolarHBondContact CG2-OG1 3.26Å; S987-T1750 VanDerWaalsContact OG-CG2 3.27Å; S987-T1750 WeakPolarHBondContact OG-CG2 3.27Å; D1746-T1750 PolarHBondContact O-N 2.9Å; A1747-T1750 PolarHBondContact O-N 2.69Å; T1750-K1752 PolarHBondContact O-N 3.27Å; T1750-A1753 PolarHBondContact O-N 3.38Å; T1750-H1754 PolarHBondContact O-N 3.15Å |
| 1751 | L | 91.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 172.5 | -69.5 | -174.1 | 0 | 0 | 0 | 111.6 | L984 K988 L991 A1114 W1118 I1120 A1747 A1753 H1754 E1755 | L984-L1751 HydrophobicContact CD1-CD2 3.59Å; K988-L1751 HydrophobicContact CG-CD2 4.17Å; L991-L1751 HydrophobicContact CD1-CD1 3.55Å; L991-L1751 HydrophobicContact CG-CD1 4.49Å; A1114-L1751 HydrophobicContact CB-CD1 4.07Å; W1118-L1751 HydrophobicContact CD2-CD2 4.28Å; W1118-L1751 HydrophobicContact CG-CD1 4.32Å; W1118-L1751 HydrophobicContact CG-CD2 4.45Å; W1118-L1751 HydrophobicContact CZ2-CD2 4.5Å; I1120-L1751 HydrophobicContact CD1-CD1 4.18Å; A1747-L1751 WeakPolarHBondContact O-CG 3.17Å; A1747-L1751 PolarHBondContact O-N 2.75Å; L1751-A1753 PolarHBondContact O-N 2.89Å; L1751-H1754 PolarHBondContact O-N 3.49Å; L1751-H1754 VanDerWaalsContact O-N 3.16Å; L1751-E1755 WeakPolarHBondContact O-CG 3.45Å; L1751-E1755 PolarHBondContact O-N 3.49Å |
| 1752 | K | 89.4 | Confident | 85.2 | Confident | 82 Ų | 82 | 47.2 Ų | 47.2 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 177.1 | -81.3 | -170.7 | 167.4 | -165.7 | 0 | 113.6 | M1110 V1748 G1749 T1750 H1754 E1755 S1756 | M1110-K1752 HydrophobicContact CE-CD 4Å; M1110-K1752 VanDerWaalsContact CG-NZ 3.35Å; M1110-K1752 PolarHBondContact SD-NZ 3.32Å; V1748-K1752 WeakPolarHBondContact O-CB 3.41Å; V1748-K1752 WeakPolarHBondContact O-CG 3.16Å; V1748-K1752 PolarHBondContact O-N 2.81Å; G1749-K1752 PolarHBondContact O-N 3.26Å; T1750-K1752 PolarHBondContact O-N 3.27Å; K1752-H1754 VanDerWaalsContact C-N 3.27Å; K1752-H1754 PolarHBondContact O-N 3.37Å; K1752-E1755 PolarHBondContact O-N 3.36Å; K1752-S1756 WeakPolarHBondContact O-CB 3.49Å; K1752-S1756 PolarHBondContact O-N 3.38Å; K1752-S1756 PolarHBondContact O-OG 3.33Å |
| 1753 | A | 86.9 | Confident | 84.7 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -35 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L978 G1749 T1750 L1751 S1756 K1757 | L978-A1753 HydrophobicContact CD2-CB 3.63Å; L978-A1753 HydrophobicContact CG-CB 4.19Å; G1749-A1753 WeakPolarHBondContact O-CB 3.11Å; G1749-A1753 PolarHBondContact O-N 2.84Å; T1750-A1753 PolarHBondContact O-N 3.38Å; L1751-A1753 PolarHBondContact O-N 2.89Å; A1753-S1756 PolarHBondContact O-N 3.37Å; A1753-K1757 PolarHBondContact O-N 3.46Å |
| 1754 | H | 85 | Confident | 84.2 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -76.1 | -37.9 | 176 | -141.9 | -64.9 | 0 | 0 | 0 | 113.3 | L984 W1118 T1750 L1751 K1752 S1756 K1757 L1758 | L984-H1754 HydrophobicContact CD1-CB 3.83Å; W1118-H1754 HydrophobicContact CZ2-CB 4.45Å; T1750-H1754 PolarHBondContact O-N 3.15Å; L1751-H1754 PolarHBondContact O-N 3.49Å; L1751-H1754 VanDerWaalsContact O-N 3.16Å; K1752-H1754 VanDerWaalsContact C-N 3.27Å; K1752-H1754 PolarHBondContact O-N 3.37Å; H1754-S1756 PolarHBondContact O-N 3.04Å; H1754-K1757 PolarHBondContact O-N 2.86Å; H1754-K1757 VanDerWaalsContact O-N 3.12Å; H1754-L1758 WeakPolarHBondContact O-CB 3.36Å; H1754-L1758 WeakPolarHBondContact O-CG 3.43Å; H1754-L1758 PolarHBondContact O-N 2.85Å |
| 1755 | E | 82.8 | Confident | 83.5 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.6 | -43.4 | 166.8 | -71.5 | 174.2 | -154.5 | 0 | 0 | 110.7 | K1117 W1118 L1751 K1752 K1757 L1758 A1759 | K1117-E1755 WeakPolarHBondContact CD-OE1 3.34Å; K1117-E1755 WeakPolarHBondContact CD-OE2 3.49Å; K1117-E1755 IonicContact NZ-OE2 3.55Å; K1117-E1755 PolarHBondContact NZ-OE2 3.29Å; W1118-E1755 HydrophobicContact CZ2-CG 3.75Å; W1118-E1755 PolarHBondContact NE1-OE1 2.83Å; L1751-E1755 WeakPolarHBondContact O-CG 3.45Å; L1751-E1755 PolarHBondContact O-N 3.49Å; K1752-E1755 PolarHBondContact O-N 3.36Å; E1755-K1757 PolarHBondContact O-N 3.06Å; E1755-L1758 PolarHBondContact O-N 2.95Å; E1755-A1759 WeakPolarHBondContact O-CB 3.48Å; E1755-A1759 PolarHBondContact O-N 2.74Å |
| 1756 | S | 77.6 | Confident | 82.8 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.3 | -13.6 | 179.2 | -57.7 | 0 | 0 | 0 | 0 | 114 | K1752 A1753 H1754 R1760 | K1752-S1756 WeakPolarHBondContact O-CB 3.49Å; K1752-S1756 PolarHBondContact O-N 3.38Å; K1752-S1756 PolarHBondContact O-OG 3.33Å; A1753-S1756 PolarHBondContact O-N 3.37Å; H1754-S1756 PolarHBondContact O-N 3.04Å; S1756-R1760 VanDerWaalsContact O-CD 3.24Å; S1756-R1760 WeakPolarHBondContact O-CD 3.31Å; S1756-R1760 VanDerWaalsContact O-CG 3.29Å; S1756-R1760 WeakPolarHBondContact O-CG 3.49Å; S1756-R1760 PolarHBondContact O-NE 2.87Å; S1756-R1760 VanDerWaalsContact O-NE 3.08Å |
| 1757 | K | 77.5 | Confident | 82.1 | Confident | 112 Ų | 112 | 60 Ų | 60 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -89.7 | -48.2 | 168.1 | -70.2 | 177.7 | -179.2 | -175.1 | 0 | 110.6 | A1753 H1754 E1755 A1759 R1760 S1761 | A1753-K1757 PolarHBondContact O-N 3.46Å; H1754-K1757 PolarHBondContact O-N 2.86Å; H1754-K1757 VanDerWaalsContact O-N 3.12Å; E1755-K1757 PolarHBondContact O-N 3.06Å; K1757-A1759 PolarHBondContact O-N 2.76Å; K1757-R1760 PolarHBondContact O-N 3.04Å; K1757-S1761 PolarHBondContact O-N 3.31Å; K1757-S1761 PolarHBondContact O-OG 2.94Å |
| 1758 | L | 75.8 | Confident | 81.2 | Confident | 93 Ų | 93 | 64.3 Ų | 64.3 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.3 | -20.1 | 178.6 | -76 | 161.4 | 0 | 0 | 0 | 114.2 | W1118 H1754 E1755 S1761 | W1118-L1758 HydrophobicContact CH2-CD1 3.63Å; W1118-L1758 HydrophobicContact CZ2-CD1 4.35Å; W1118-L1758 HydrophobicContact CZ3-CD1 4.48Å; H1754-L1758 WeakPolarHBondContact O-CB 3.36Å; H1754-L1758 WeakPolarHBondContact O-CG 3.43Å; H1754-L1758 PolarHBondContact O-N 2.85Å; E1755-L1758 PolarHBondContact O-N 2.95Å; L1758-S1761 WeakPolarHBondContact CA-OG 3.3Å; L1758-S1761 PolarHBondContact O-OG 2.93Å |
| 1759 | A | 74.8 | Confident | 80.2 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 69% | 0.694 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 8.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1755 K1757 | E1755-A1759 WeakPolarHBondContact O-CB 3.48Å; E1755-A1759 PolarHBondContact O-N 2.74Å; K1757-A1759 PolarHBondContact O-N 2.76Å |
| 1760 | R | 69.1 | Low | 79.2 | Confident | 214 Ų | 214 | 74.4 Ų | 74.4 | 81% | 0.808 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | -16.8 | 174 | -64.3 | -179.6 | -163.5 | 175.8 | 7.1 | 113.2 | S1756 K1757 | S1756-R1760 VanDerWaalsContact O-CD 3.24Å; S1756-R1760 WeakPolarHBondContact O-CD 3.31Å; S1756-R1760 VanDerWaalsContact O-CG 3.29Å; S1756-R1760 WeakPolarHBondContact O-CG 3.49Å; S1756-R1760 PolarHBondContact O-NE 2.87Å; S1756-R1760 VanDerWaalsContact O-NE 3.08Å; K1757-R1760 PolarHBondContact O-N 3.04Å |
| 1761 | S | 48 | Very low | 78 | Confident | 141 Ų | 141 | 81 Ų | 81 | 99% | 0.986 | 43% | 0.434 | S | S | * | . | trans | -87.7 | 0 | 168.1 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | K1757 L1758 | K1757-S1761 PolarHBondContact O-N 3.31Å; K1757-S1761 PolarHBondContact O-OG 2.94Å; L1758-S1761 WeakPolarHBondContact CA-OG 3.3Å; L1758-S1761 PolarHBondContact O-OG 2.93Å |
Retrieved 1,761 of 1,761 residues in 1458.7 ms
(Link to these results)