| 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 | 45 | Very low | 64.9 | Low | 209 Ų | 209 | 125.9 Ų | 125.9 | 100% | 1.03 | 66% | 0.66 | S | S | * | * | 0 | 85.8 | 0 | -118.6 | 60.9 | 177.4 | 0 | 0 | 107.9 | I3 | M1-I3 PolarHBondContact O-N 3.46Š| |||
| 2 | D | 46.5 | Very low | 66.2 | Low | 144 Ų | 144 | 123.8 Ų | 123.8 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | trans | -107.1 | 71.2 | -146.3 | -58 | -80.8 | 0 | 0 | 0 | 111 | Y4 D5 | D2-Y4 PolarHBondContact O-N 3.42Å; D2-D5 PolarHBondContact O-N 3.21Å | ||
| 3 | I | 53.4 | Low | 67.6 | Low | 143 Ų | 143 | 121.4 Ų | 121.4 | 73% | 0.733 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 2.3 | -176.9 | -35.1 | -178.2 | 0 | 0 | 0 | 112.2 | M1 | M1-I3 PolarHBondContact O-N 3.46Š|
| 4 | Y | 55.1 | Low | 68.9 | Low | 218 Ų | 218 | 123.4 Ų | 123.4 | 86% | 0.855 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 16 | -178.8 | -77 | -80.4 | 0 | 0 | 0 | 114.2 | D2 T6 | D2-Y4 PolarHBondContact O-N 3.42Å; Y4-T6 PolarHBondContact O-N 3.49Å |
| 5 | D | 62.8 | Low | 70 | Confident | 78 Ų | 78 | 117.5 Ų | 117.5 | 42% | 0.417 | 63% | 0.629 | S | S | . | * | trans | -62.3 | 123.9 | 164.2 | -170.4 | -11.1 | 0 | 0 | 0 | 109.9 | D2 Q7 T8 L9 | D2-D5 PolarHBondContact O-N 3.21Å; D5-Q7 PolarHBondContact O-N 3Å; D5-Q7 PolarHBondContact OD1-N 3.17Å; D5-T8 PolarHBondContact O-N 3.35Å; D5-L9 PolarHBondContact O-N 3.43Å | ||
| 6 | T | 67 | Low | 71.1 | Confident | 117 Ų | 117 | 112.5 Ų | 112.5 | 72% | 0.718 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.6 | -25.7 | 178.6 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | Y4 G10 | Y4-T6 PolarHBondContact O-N 3.49Å; T6-G10 PolarHBondContact O-N 2.87Å |
| 7 | Q | 75.4 | Confident | 72.2 | Confident | 154 Ų | 154 | 114.1 Ų | 114.1 | 72% | 0.72 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.4 | -49.4 | 171.8 | -61.3 | -164.7 | 6.4 | 0 | 0 | 111.3 | D5 L9 G10 V11 | D5-Q7 PolarHBondContact O-N 3Å; D5-Q7 PolarHBondContact OD1-N 3.17Å; Q7-L9 PolarHBondContact O-N 3.4Å; Q7-G10 WeakPolarHBondContact O-CA 3.35Å; Q7-G10 PolarHBondContact O-N 3.31Å; Q7-G10 VanDerWaalsContact O-N 3.15Å; Q7-V11 WeakPolarHBondContact O-CG2 3.37Å; Q7-V11 PolarHBondContact O-N 3.36Å |
| 8 | T | 73.1 | Confident | 73.3 | Confident | 77 Ų | 77 | 114.8 Ų | 114.8 | 47% | 0.472 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.2 | -45.8 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | D5 G10 V11 V12 | D5-T8 PolarHBondContact O-N 3.35Å; T8-G10 VanDerWaalsContact C-N 3.31Å; T8-G10 PolarHBondContact O-N 3.14Å; T8-V11 PolarHBondContact O-N 3.23Å; T8-V12 WeakPolarHBondContact O-CG2 3.45Å; T8-V12 PolarHBondContact O-N 2.84Å |
| 9 | L | 74.9 | Confident | 74.2 | Confident | 106 Ų | 106 | 113.4 Ų | 113.4 | 56% | 0.555 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.8 | -40.4 | 174.8 | -174 | 65 | 0 | 0 | 0 | 111.5 | D5 Q7 V12 V13 | D5-L9 PolarHBondContact O-N 3.43Å; Q7-L9 PolarHBondContact O-N 3.4Å; L9-V12 PolarHBondContact O-N 3.33Å; L9-V13 WeakPolarHBondContact O-CG2 3.14Å; L9-V13 PolarHBondContact O-N 3.2Å |
| 10 | G | 80 | Confident | 75.1 | Confident | 34 Ų | 34 | 112.9 Ų | 112.9 | 35% | 0.351 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -58.4 | -46.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | T6 Q7 T8 V13 F14 | T6-G10 PolarHBondContact O-N 2.87Å; Q7-G10 WeakPolarHBondContact O-CA 3.35Å; Q7-G10 PolarHBondContact O-N 3.31Å; Q7-G10 VanDerWaalsContact O-N 3.15Å; T8-G10 VanDerWaalsContact C-N 3.31Å; T8-G10 PolarHBondContact O-N 3.14Å; G10-V13 PolarHBondContact O-N 3.04Å; G10-F14 WeakPolarHBondContact O-CB 3.43Å; G10-F14 PolarHBondContact O-N 3.21Å |
| 11 | V | 80.5 | Confident | 75.7 | Confident | 105 Ų | 105 | 109.3 Ų | 109.3 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.3 | -42.5 | 177.7 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | Q7 T8 F14 G15 | Q7-V11 WeakPolarHBondContact O-CG2 3.37Å; Q7-V11 PolarHBondContact O-N 3.36Å; T8-V11 PolarHBondContact O-N 3.23Å; V11-F14 PolarHBondContact O-N 2.8Å; V11-G15 PolarHBondContact O-N 3.41Å |
| 12 | V | 80.9 | Confident | 77.9 | Confident | 100 Ų | 100 | 102.1 Ų | 102.1 | 61% | 0.606 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.8 | -43.3 | 177 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | T8 L9 G15 G16 | T8-V12 WeakPolarHBondContact O-CG2 3.45Å; T8-V12 PolarHBondContact O-N 2.84Å; L9-V12 PolarHBondContact O-N 3.33Å; V12-G15 PolarHBondContact O-N 3.47Å; V12-G16 PolarHBondContact O-N 3.5Å |
| 13 | V | 84.9 | Confident | 79.9 | Confident | 93 Ų | 93 | 100 Ų | 100 | 56% | 0.564 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.9 | -42.6 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | L9 G10 F17 | L9-V13 WeakPolarHBondContact O-CG2 3.14Å; L9-V13 PolarHBondContact O-N 3.2Å; G10-V13 PolarHBondContact O-N 3.04Å; V13-F17 WeakPolarHBondContact O-CB 3.49Å; V13-F17 PolarHBondContact O-N 2.81Å |
| 14 | F | 85.1 | Confident | 81.4 | Confident | 149 Ų | 149 | 94.6 Ų | 94.6 | 65% | 0.654 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.7 | -39.9 | 176 | -115.6 | -89.1 | 0 | 0 | 0 | 112.5 | G10 V11 F17 M18 | G10-F14 WeakPolarHBondContact O-CB 3.43Å; G10-F14 PolarHBondContact O-N 3.21Å; V11-F14 PolarHBondContact O-N 2.8Å; F14-F17 PolarHBondContact O-N 3.35Å; F14-M18 WeakPolarHBondContact O-CB 3.13Å; F14-M18 VanDerWaalsContact O-CG 3.31Å; F14-M18 WeakPolarHBondContact O-CG 3.44Å; F14-M18 PolarHBondContact O-N 3.42Å |
| 15 | G | 85.4 | Confident | 82.8 | Confident | 35 Ų | 35 | 90 Ų | 90 | 36% | 0.361 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V11 V12 F17 M18 V19 | V11-G15 PolarHBondContact O-N 3.41Å; V12-G15 PolarHBondContact O-N 3.47Å; G15-F17 VanDerWaalsContact C-N 3.35Å; G15-F17 PolarHBondContact O-N 3.29Å; G15-M18 WeakPolarHBondContact O-CB 3.41Å; G15-M18 PolarHBondContact O-N 3.39Å; G15-V19 WeakPolarHBondContact O-CG2 3.13Å; G15-V19 PolarHBondContact O-N 2.96Å |
| 16 | G | 87.6 | Confident | 83.7 | Confident | 38 Ų | 38 | 93 Ų | 93 | 39% | 0.392 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V12 M18 V19 V20 | V12-G16 PolarHBondContact O-N 3.5Å; G16-M18 PolarHBondContact O-N 2.8Å; G16-V19 PolarHBondContact O-N 2.77Å; G16-V20 WeakPolarHBondContact O-CG2 3.15Å; G16-V20 PolarHBondContact O-N 2.85Å |
| 17 | F | 90.4 | Very high | 84.3 | Confident | 139 Ų | 139 | 92.1 Ų | 92.1 | 61% | 0.61 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 176.6 | -171.1 | -94.1 | 0 | 0 | 0 | 112.7 | V13 F14 G15 S21 | V13-F17 WeakPolarHBondContact O-CB 3.49Å; V13-F17 PolarHBondContact O-N 2.81Å; F14-F17 PolarHBondContact O-N 3.35Å; G15-F17 VanDerWaalsContact C-N 3.35Å; G15-F17 PolarHBondContact O-N 3.29Å; F17-S21 WeakPolarHBondContact CE1-OG 3.46Å; F17-S21 WeakPolarHBondContact O-CB 3.4Å; F17-S21 PolarHBondContact O-N 3.25Å; F17-S21 PolarHBondContact O-OG 3.17Å |
| 18 | M | 90.9 | Very high | 84.3 | Confident | 127 Ų | 127 | 89.3 Ų | 89.3 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 173.1 | -79.5 | -72.7 | -143.2 | 0 | 0 | 111.8 | F14 G15 G16 S21 A22 | F14-M18 WeakPolarHBondContact O-CB 3.13Å; F14-M18 VanDerWaalsContact O-CG 3.31Å; F14-M18 WeakPolarHBondContact O-CG 3.44Å; F14-M18 PolarHBondContact O-N 3.42Å; G15-M18 WeakPolarHBondContact O-CB 3.41Å; G15-M18 PolarHBondContact O-N 3.39Å; G16-M18 PolarHBondContact O-N 2.8Å; M18-S21 PolarHBondContact O-N 3.33Å; M18-A22 WeakPolarHBondContact O-CB 3.23Å; M18-A22 PolarHBondContact O-N 3.37Å |
| 19 | V | 90.9 | Very high | 84.1 | Confident | 89 Ų | 89 | 89.8 Ų | 89.8 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 179.1 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.13Å; G15-V19 PolarHBondContact O-N 2.96Å; G16-V19 PolarHBondContact O-N 2.77Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 3.1Å; V19-A22 PolarHBondContact O-N 3.4Å; V19-I23 HydrophobicContact CG1-CD1 3.94Å; V19-I23 WeakPolarHBondContact O-CG1 3.25Å; V19-I23 PolarHBondContact O-N 2.81Å |
| 20 | V | 92.3 | Very high | 83.6 | Confident | 102 Ų | 102 | 88.1 Ų | 88.1 | 62% | 0.618 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -38.1 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | G16 G24 | G16-V20 WeakPolarHBondContact O-CG2 3.15Å; G16-V20 PolarHBondContact O-N 2.85Å; V20-G24 PolarHBondContact O-N 2.9Å |
| 21 | S | 87.9 | Confident | 82.7 | Confident | 39 Ų | 39 | 95.3 Ų | 95.3 | 27% | 0.273 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 174.9 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | F17 M18 V19 G24 I25 | F17-S21 WeakPolarHBondContact CE1-OG 3.46Å; F17-S21 WeakPolarHBondContact O-CB 3.4Å; F17-S21 PolarHBondContact O-N 3.25Å; F17-S21 PolarHBondContact O-OG 3.17Å; M18-S21 PolarHBondContact O-N 3.33Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 3.1Å; S21-G24 PolarHBondContact O-N 2.89Å; S21-I25 WeakPolarHBondContact O-CB 3.31Å; S21-I25 WeakPolarHBondContact O-CD1 3.21Å; S21-I25 VanDerWaalsContact O-CG1 3.24Å; S21-I25 WeakPolarHBondContact O-CG1 3.11Å; S21-I25 PolarHBondContact O-N 3.28Å |
| 22 | A | 90.3 | Very high | 81.4 | Confident | 58 Ų | 58 | 94.2 Ų | 94.2 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M18 V19 I25 F26 | M18-A22 WeakPolarHBondContact O-CB 3.23Å; M18-A22 PolarHBondContact O-N 3.37Å; V19-A22 PolarHBondContact O-N 3.4Å; A22-I25 PolarHBondContact O-N 3.12Å; A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 2.89Å |
| 23 | I | 89.2 | Confident | 80 | Confident | 98 Ų | 98 | 97.2 Ų | 97.2 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 173.5 | -66.1 | 165.9 | 0 | 0 | 0 | 110.4 | V19 I25 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 3.94Å; V19-I23 WeakPolarHBondContact O-CG1 3.25Å; V19-I23 PolarHBondContact O-N 2.81Å; I23-I25 PolarHBondContact O-N 2.92Å; I23-F26 PolarHBondContact O-N 3.46Å; I23-L27 HydrophobicContact CG2-CD1 3.92Å; I23-L27 HydrophobicContact CG2-CG 4.4Å; I23-L27 WeakPolarHBondContact O-CB 3.4Å; I23-L27 WeakPolarHBondContact O-CG 3.12Å; I23-L27 PolarHBondContact O-N 2.85Å |
| 24 | G | 84.9 | Confident | 78.3 | Confident | 31 Ų | 31 | 102.4 Ų | 102.4 | 32% | 0.32 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.2 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V20 S21 L27 V28 | V20-G24 PolarHBondContact O-N 2.9Å; S21-G24 PolarHBondContact O-N 2.89Å; G24-L27 PolarHBondContact O-N 3.49Å; G24-V28 WeakPolarHBondContact O-CB 3.4Å; G24-V28 VanDerWaalsContact O-CG2 3.29Å; G24-V28 WeakPolarHBondContact O-CG2 3.36Å; G24-V28 PolarHBondContact O-N 2.93Å |
| 25 | I | 84.9 | Confident | 76.8 | Confident | 120 Ų | 120 | 104.4 Ų | 104.4 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.2 | -39.5 | 175.8 | -69.7 | 164.1 | 0 | 0 | 0 | 110.9 | S21 A22 I23 S29 | S21-I25 WeakPolarHBondContact O-CB 3.31Å; S21-I25 WeakPolarHBondContact O-CD1 3.21Å; S21-I25 VanDerWaalsContact O-CG1 3.24Å; S21-I25 WeakPolarHBondContact O-CG1 3.11Å; S21-I25 PolarHBondContact O-N 3.28Å; A22-I25 PolarHBondContact O-N 3.12Å; I23-I25 PolarHBondContact O-N 2.92Å; I25-S29 WeakPolarHBondContact O-CB 3.39Å; I25-S29 PolarHBondContact O-N 3.45Å |
| 26 | F | 82 | Confident | 75.7 | Confident | 141 Ų | 141 | 107.6 Ų | 107.6 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.5 | -44.7 | 176.8 | -174.6 | -95.4 | 0 | 0 | 0 | 111.9 | A22 I23 S29 T30 | A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 2.89Å; I23-F26 PolarHBondContact O-N 3.46Å; F26-S29 PolarHBondContact O-N 3Å; F26-T30 HydrophobicContact CD1-CG2 4.46Å; F26-T30 HydrophobicContact CE1-CG2 4.08Å; F26-T30 HydrophobicContact CZ-CG2 4.12Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 WeakPolarHBondContact O-CG2 3.34Å; F26-T30 PolarHBondContact O-N 3.44Å; F26-T30 PolarHBondContact O-OG1 2.92Å |
| 27 | L | 78.7 | Confident | 74.8 | Confident | 99 Ų | 99 | 109.5 Ų | 109.5 | 52% | 0.518 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.2 | -44.7 | 176.2 | -70 | 172.4 | 0 | 0 | 0 | 111.9 | I23 G24 T30 F31 | I23-L27 HydrophobicContact CG2-CD1 3.92Å; I23-L27 HydrophobicContact CG2-CG 4.4Å; I23-L27 WeakPolarHBondContact O-CB 3.4Å; I23-L27 WeakPolarHBondContact O-CG 3.12Å; I23-L27 PolarHBondContact O-N 2.85Å; G24-L27 PolarHBondContact O-N 3.49Å; L27-T30 WeakPolarHBondContact CA-OG1 3.35Å; L27-T30 PolarHBondContact O-N 3.46Å; L27-T30 PolarHBondContact O-OG1 3.09Å; L27-T30 VanDerWaalsContact O-OG1 3.06Å; L27-F31 PolarHBondContact O-N 3.14Å |
| 28 | V | 75.2 | Confident | 73.7 | Confident | 95 Ų | 95 | 111.8 Ų | 111.8 | 58% | 0.576 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.4 | -39.2 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | G24 F31 S32 | G24-V28 WeakPolarHBondContact O-CB 3.4Å; G24-V28 VanDerWaalsContact O-CG2 3.29Å; G24-V28 WeakPolarHBondContact O-CG2 3.36Å; G24-V28 PolarHBondContact O-N 2.93Å; V28-F31 PolarHBondContact O-N 3.01Å; V28-S32 WeakPolarHBondContact O-CB 3.4Å; V28-S32 PolarHBondContact O-N 3.06Å; V28-S32 PolarHBondContact O-OG 2.9Å |
| 29 | S | 68.5 | Low | 72.9 | Confident | 87 Ų | 87 | 112.4 Ų | 112.4 | 61% | 0.608 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.1 | -35.4 | 179.1 | -169.1 | 0 | 0 | 0 | 0 | 112.6 | I25 F26 | I25-S29 WeakPolarHBondContact O-CB 3.39Å; I25-S29 PolarHBondContact O-N 3.45Å; F26-S29 PolarHBondContact O-N 3Å |
| 30 | T | 64.9 | Low | 72.3 | Confident | 71 Ų | 71 | 113.3 Ų | 113.3 | 44% | 0.436 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73.9 | -37 | 174.8 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | F26 L27 | F26-T30 HydrophobicContact CD1-CG2 4.46Å; F26-T30 HydrophobicContact CE1-CG2 4.08Å; F26-T30 HydrophobicContact CZ-CG2 4.12Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 WeakPolarHBondContact O-CG2 3.34Å; F26-T30 PolarHBondContact O-N 3.44Å; F26-T30 PolarHBondContact O-OG1 2.92Å; L27-T30 WeakPolarHBondContact CA-OG1 3.35Å; L27-T30 PolarHBondContact O-N 3.46Å; L27-T30 PolarHBondContact O-OG1 3.09Å; L27-T30 VanDerWaalsContact O-OG1 3.06Å |
| 31 | F | 61.5 | Low | 71.7 | Confident | 186 Ų | 186 | 110.8 Ų | 110.8 | 82% | 0.816 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -83.7 | -8.5 | 174.8 | -99.4 | -97.7 | 0 | 0 | 0 | 115.3 | L27 V28 M33 | L27-F31 PolarHBondContact O-N 3.14Å; V28-F31 PolarHBondContact O-N 3.01Å; F31-M33 PolarHBondContact O-N 3.2Å |
| 32 | S | 52.3 | Low | 71.4 | Confident | 81 Ų | 81 | 110.9 Ų | 110.9 | 57% | 0.566 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 17.9 | 177.1 | -65.8 | 0 | 0 | 0 | 0 | 114.1 | V28 K34 | V28-S32 WeakPolarHBondContact O-CB 3.4Å; V28-S32 PolarHBondContact O-N 3.06Å; V28-S32 PolarHBondContact O-OG 2.9Å; S32-K34 PolarHBondContact O-N 3.39Å |
| 33 | M | 52.6 | Low | 71 | Confident | 164 Ų | 164 | 110.6 Ų | 110.6 | 81% | 0.808 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -61.5 | 123.1 | 165.5 | -80.9 | -164.4 | 160.9 | 0 | 0 | 109.3 | F31 E35 | F31-M33 PolarHBondContact O-N 3.2Å; M33-E35 PolarHBondContact O-N 3.15Å |
| 34 | K | 48 | Very low | 70.6 | Confident | 202 Ų | 202 | 110 Ų | 110 | 88% | 0.878 | 58% | 0.582 | S | S | * | * | trans | -59.8 | 109.9 | -176.8 | -72.2 | 177.4 | 177.4 | 174.3 | 0 | 110.8 | S32 T36 | S32-K34 PolarHBondContact O-N 3.39Å; K34-T36 PolarHBondContact O-N 3.36Å | ||
| 35 | E | 53.5 | Low | 70.3 | Confident | 190 Ų | 190 | 114.3 Ų | 114.3 | 89% | 0.888 | 59% | 0.594 | S | S | * | * | trans | -61.3 | 103 | 165.8 | -63.9 | -174.9 | 150.2 | 0 | 0 | 109.4 | M33 S37 | M33-E35 PolarHBondContact O-N 3.15Å; E35-S37 PolarHBondContact O-N 3.33Å | ||
| 36 | T | 62 | Low | 70 | Confident | 103 Ų | 103 | 116.7 Ų | 116.7 | 63% | 0.632 | 60% | 0.595 | S | S | * | * | trans | -67.6 | 113.9 | 166.5 | 36.2 | 0 | 0 | 0 | 0 | 108 | K34 | K34-T36 PolarHBondContact O-N 3.36Š| ||
| 37 | S | 69.8 | Low | 69.9 | Low | 77 Ų | 77 | 117 Ų | 117 | 54% | 0.538 | 60% | 0.596 | S | S | . | * | trans | -61.3 | 146.5 | -174 | -168.6 | 0 | 0 | 0 | 0 | 111.2 | E35 E39 E40 A41 | E35-S37 PolarHBondContact O-N 3.33Å; S37-E39 PolarHBondContact O-N 3.39Å; S37-E39 VanDerWaalsContact O-N 3.11Å; S37-E40 WeakPolarHBondContact O-CA 3.4Å; S37-E40 WeakPolarHBondContact O-CB 3.42Å; S37-E40 PolarHBondContact O-N 3.22Å; S37-A41 PolarHBondContact O-N 3.01Å; S37-A41 VanDerWaalsContact O-N 3.1Å | ||
| 38 | Y | 66.7 | Low | 69.7 | Low | 187 Ų | 187 | 118.8 Ų | 118.8 | 73% | 0.733 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -52.8 | -35.5 | -177.9 | -175.1 | -103.8 | 0 | 0 | 0 | 113.4 | A41 L42 | Y38-A41 PolarHBondContact O-N 3.07Å; Y38-L42 HydrophobicContact CD1-CD1 3.98Å; Y38-L42 HydrophobicContact CE1-CD1 3.48Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.48Å; Y38-L42 WeakPolarHBondContact O-CB 3.49Å; Y38-L42 PolarHBondContact O-N 2.92Å |
| 39 | E | 75.2 | Confident | 69.5 | Low | 140 Ų | 140 | 120.4 Ų | 120.4 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.3 | -39 | 171.9 | -82 | -74.6 | 160.1 | 0 | 0 | 113.2 | S37 A43 | S37-E39 PolarHBondContact O-N 3.39Å; S37-E39 VanDerWaalsContact O-N 3.11Å; E39-A43 VanDerWaalsContact O-CB 3.23Å; E39-A43 WeakPolarHBondContact O-CB 3.37Å; E39-A43 PolarHBondContact O-N 3.26Å |
| 40 | E | 78.8 | Confident | 69.3 | Low | 108 Ų | 108 | 119.4 Ų | 119.4 | 51% | 0.505 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.6 | -38.4 | 177.9 | -173.5 | 171.6 | -157.8 | 0 | 0 | 111.4 | S37 A43 N44 | S37-E40 WeakPolarHBondContact O-CA 3.4Å; S37-E40 WeakPolarHBondContact O-CB 3.42Å; S37-E40 PolarHBondContact O-N 3.22Å; E40-A43 PolarHBondContact O-N 3.13Å; E40-N44 WeakPolarHBondContact O-CB 3.3Å; E40-N44 PolarHBondContact O-N 3.2Å |
| 41 | A | 79.5 | Confident | 69 | Low | 50 Ų | 50 | 124 Ų | 124 | 41% | 0.413 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.4 | -47.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S37 Y38 A43 N44 Q45 | S37-A41 PolarHBondContact O-N 3.01Å; S37-A41 VanDerWaalsContact O-N 3.1Å; Y38-A41 PolarHBondContact O-N 3.07Å; A41-A43 PolarHBondContact O-N 2.92Å; A41-N44 PolarHBondContact O-N 2.73Å; A41-Q45 WeakPolarHBondContact O-CB 3.39Å; A41-Q45 PolarHBondContact O-N 2.96Å |
| 42 | L | 80.6 | Confident | 68.7 | Low | 41 Ų | 41 | 119.4 Ų | 119.4 | 22% | 0.215 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -62.8 | -38.8 | 174.9 | -105.7 | 162.1 | 0 | 0 | 0 | 112.8 | Y38 R46 | Y38-L42 HydrophobicContact CD1-CD1 3.98Å; Y38-L42 HydrophobicContact CE1-CD1 3.48Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.48Å; Y38-L42 WeakPolarHBondContact O-CB 3.49Å; Y38-L42 PolarHBondContact O-N 2.92Å; L42-R46 WeakPolarHBondContact O-CB 3.36Å; L42-R46 VanDerWaalsContact O-CG 3.28Å; L42-R46 WeakPolarHBondContact O-CG 3.28Å; L42-R46 PolarHBondContact O-N 3.15Å |
| 43 | A | 83.2 | Confident | 68.6 | Low | 52 Ų | 52 | 123.3 Ų | 123.3 | 43% | 0.43 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E39 E40 A41 K47 | E39-A43 VanDerWaalsContact O-CB 3.23Å; E39-A43 WeakPolarHBondContact O-CB 3.37Å; E39-A43 PolarHBondContact O-N 3.26Å; E40-A43 PolarHBondContact O-N 3.13Å; A41-A43 PolarHBondContact O-N 2.92Å; A43-K47 WeakPolarHBondContact O-CB 3.44Å; A43-K47 PolarHBondContact O-N 3.28Å |
| 44 | N | 79.2 | Confident | 68.4 | Low | 84 Ų | 84 | 123.2 Ų | 123.2 | 45% | 0.449 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.2 | -43.4 | 174.6 | -85.7 | -22.3 | 0 | 0 | 0 | 112.1 | E40 A41 R46 K47 E48 | E40-N44 WeakPolarHBondContact O-CB 3.3Å; E40-N44 PolarHBondContact O-N 3.2Å; A41-N44 PolarHBondContact O-N 2.73Å; N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact O-N 3.24Å; N44-K47 CarbonylContact O-C 3.59Å; N44-K47 WeakPolarHBondContact O-CA 3.44Å; N44-K47 VanDerWaalsContact O-CB 3.26Å; N44-K47 WeakPolarHBondContact O-CB 3.33Å; N44-K47 PolarHBondContact O-N 3.17Å; N44-E48 PolarHBondContact O-N 3.2Å |
| 45 | Q | 78.5 | Confident | 68.3 | Low | 122 Ų | 122 | 120.7 Ų | 120.7 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.7 | -43 | 175.4 | -167.8 | -169.8 | 46.3 | 0 | 0 | 111.4 | A41 K47 E48 M49 | A41-Q45 WeakPolarHBondContact O-CB 3.39Å; A41-Q45 PolarHBondContact O-N 2.96Å; Q45-K47 VanDerWaalsContact C-N 3.34Å; Q45-K47 PolarHBondContact O-N 3.02Å; Q45-E48 PolarHBondContact O-N 3.36Å; Q45-M49 WeakPolarHBondContact O-CB 3.48Å; Q45-M49 WeakPolarHBondContact O-CG 3.45Å; Q45-M49 PolarHBondContact O-N 3Å |
| 46 | R | 78.9 | Confident | 67.7 | Low | 171 Ų | 171 | 120.7 Ų | 120.7 | 65% | 0.645 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.5 | -36.6 | 173.4 | -73.7 | 172.3 | 176.1 | 169.3 | 1 | 112.6 | L42 N44 A50 | L42-R46 WeakPolarHBondContact O-CB 3.36Å; L42-R46 VanDerWaalsContact O-CG 3.28Å; L42-R46 WeakPolarHBondContact O-CG 3.28Å; L42-R46 PolarHBondContact O-N 3.15Å; N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact O-N 3.24Å; R46-A50 WeakPolarHBondContact O-CB 3.33Å; R46-A50 PolarHBondContact O-N 3.37Å |
| 47 | K | 79.9 | Confident | 66.7 | Low | 146 Ų | 146 | 118.6 Ų | 118.6 | 64% | 0.635 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.8 | -40.8 | 173.6 | -110.4 | 175.3 | 178.5 | 171.6 | 0 | 112.7 | A43 N44 Q45 K51 | A43-K47 WeakPolarHBondContact O-CB 3.44Å; A43-K47 PolarHBondContact O-N 3.28Å; N44-K47 CarbonylContact O-C 3.59Å; N44-K47 WeakPolarHBondContact O-CA 3.44Å; N44-K47 VanDerWaalsContact O-CB 3.26Å; N44-K47 WeakPolarHBondContact O-CB 3.33Å; N44-K47 PolarHBondContact O-N 3.17Å; Q45-K47 VanDerWaalsContact C-N 3.34Å; Q45-K47 PolarHBondContact O-N 3.02Å; K47-K51 PolarHBondContact O-N 3.21Å; K47-K51 VanDerWaalsContact O-N 3.09Å |
| 48 | E | 74.5 | Confident | 65.1 | Low | 137 Ų | 137 | 123.1 Ų | 123.1 | 64% | 0.64 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68 | -48.6 | 175.8 | -73.5 | -146.9 | 111.5 | 0 | 0 | 111.6 | N44 Q45 A50 K51 T52 | N44-E48 PolarHBondContact O-N 3.2Å; Q45-E48 PolarHBondContact O-N 3.36Å; E48-A50 PolarHBondContact O-N 3.05Å; E48-K51 CarbonylContact O-C 3.41Å; E48-K51 WeakPolarHBondContact O-CA 3.44Å; E48-K51 PolarHBondContact O-N 3.45Å; E48-T52 PolarHBondContact O-N 3.48Å; E48-T52 PolarHBondContact O-OG1 2.94Å |
| 49 | M | 70.7 | Confident | 63.8 | Low | 130 Ų | 130 | 122.7 Ų | 122.7 | 64% | 0.64 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -56.2 | -37.6 | 176.3 | -68.5 | -78.8 | -88.1 | 0 | 0 | 112 | Q45 T52 H53 | Q45-M49 WeakPolarHBondContact O-CB 3.48Å; Q45-M49 WeakPolarHBondContact O-CG 3.45Å; Q45-M49 PolarHBondContact O-N 3Å; M49-T52 PolarHBondContact O-OG1 3.31Å; M49-H53 PolarHBondContact O-N 2.98Å |
| 50 | A | 64.3 | Low | 61.9 | Low | 65 Ų | 65 | 125.7 Ų | 125.7 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.7 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R46 E48 | R46-A50 WeakPolarHBondContact O-CB 3.33Å; R46-A50 PolarHBondContact O-N 3.37Å; E48-A50 PolarHBondContact O-N 3.05Å |
| 51 | K | 59 | Low | 59.8 | Low | 169 Ų | 169 | 129.9 Ų | 129.9 | 74% | 0.735 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.1 | -44.5 | 176.3 | -87.4 | -172.5 | 169.7 | -173.2 | 0 | 112.9 | K47 E48 H53 H54 Q55 | K47-K51 PolarHBondContact O-N 3.21Å; K47-K51 VanDerWaalsContact O-N 3.09Å; E48-K51 CarbonylContact O-C 3.41Å; E48-K51 WeakPolarHBondContact O-CA 3.44Å; E48-K51 PolarHBondContact O-N 3.45Å; K51-H53 VanDerWaalsContact C-N 3.33Å; K51-H53 PolarHBondContact O-N 3.18Å; K51-H54 PolarHBondContact O-N 3.38Å; K51-H54 VanDerWaalsContact O-N 3.14Å; K51-Q55 PolarHBondContact O-N 3.3Å |
| 52 | T | 55.4 | Low | 57.5 | Low | 89 Ų | 89 | 137.2 Ų | 137.2 | 55% | 0.546 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -66.6 | -35.9 | -177.8 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | E48 M49 H54 Q55 | E48-T52 PolarHBondContact O-N 3.48Å; E48-T52 PolarHBondContact O-OG1 2.94Å; M49-T52 PolarHBondContact O-OG1 3.31Å; T52-H54 VanDerWaalsContact C-N 3.29Å; T52-H54 PolarHBondContact O-N 3.14Å; T52-Q55 PolarHBondContact O-N 3.11Å |
| 53 | H | 51.1 | Low | 55.1 | Low | 162 Ų | 162 | 143.8 Ų | 143.8 | 75% | 0.75 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -63.2 | -35.2 | 172.9 | -160.8 | -72.1 | 0 | 0 | 0 | 112.4 | M49 K51 | M49-H53 PolarHBondContact O-N 2.98Å; K51-H53 VanDerWaalsContact C-N 3.33Å; K51-H53 PolarHBondContact O-N 3.18Å |
| 54 | H | 48.3 | Very low | 52.6 | Low | 163 Ų | 163 | 150.6 Ų | 150.6 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -76.2 | -26.5 | -177 | -137.1 | -41.4 | 0 | 0 | 0 | 113.8 | K51 T52 | K51-H54 PolarHBondContact O-N 3.38Å; K51-H54 VanDerWaalsContact O-N 3.14Å; T52-H54 VanDerWaalsContact C-N 3.29Å; T52-H54 PolarHBondContact O-N 3.14Å |
| 55 | Q | 45.6 | Very low | 50.4 | Low | 149 Ų | 149 | 153.2 Ų | 153.2 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -88 | -12.4 | -178.4 | -155.6 | 173.5 | 73.7 | 0 | 0 | 113.8 | K51 T52 G57 | K51-Q55 PolarHBondContact O-N 3.3Å; T52-Q55 PolarHBondContact O-N 3.11Å; Q55-G57 PolarHBondContact O-N 3.03Å |
| 56 | K | 40.1 | Very low | 48.2 | Very low | 189 Ų | 189 | 154.3 Ų | 154.3 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -5.1 | 178.5 | -146.8 | 170.2 | -173.5 | 176.7 | 0 | 114 | ||
| 57 | G | 40.6 | Very low | 45.8 | Very low | 59 Ų | 59 | 154.9 Ų | 154.9 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q55 | Q55-G57 PolarHBondContact O-N 3.03Š|
| 58 | E | 37.3 | Very low | 43.4 | Very low | 173 Ų | 173 | 157.3 Ų | 157.3 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -23.1 | -162.7 | -66.9 | -165.7 | 102 | 0 | 0 | 115.8 | K60 | E58-K60 PolarHBondContact O-N 2.62Å; E58-K60 VanDerWaalsContact O-N 3.14Å |
| 59 | K | 39.4 | Very low | 41.3 | Very low | 177 Ų | 177 | 161.2 Ų | 161.2 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -66.3 | -14.5 | 176.9 | -88.5 | -163.5 | 170.6 | -166.3 | 0 | 114.1 | K61 | K59-K61 PolarHBondContact O-N 3.24Š|
| 60 | K | 35.3 | Very low | 39.5 | Very low | 204 Ų | 204 | 159 Ų | 159 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -73.2 | 15.4 | -174.3 | -143.7 | 178.8 | -175.8 | -178.2 | 0 | 115.3 | E58 | E58-K60 PolarHBondContact O-N 2.62Å; E58-K60 VanDerWaalsContact O-N 3.14Å |
| 61 | K | 33.5 | Very low | 37.6 | Very low | 196 Ų | 196 | 165.4 Ų | 165.4 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -131.6 | 2.7 | -176.9 | -145.4 | 177.3 | -178.2 | 179.6 | 0 | 116.5 | K59 | K59-K61 PolarHBondContact O-N 3.24Š|
| 62 | K | 31.2 | Very low | 36.3 | Very low | 204 Ų | 204 | 163.1 Ų | 163.1 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -142.1 | 44.8 | 176.8 | -83 | -160.2 | 173.5 | -173 | 0 | 114.6 | ||
| 63 | E | 31.2 | Very low | 35.1 | Very low | 178 Ų | 178 | 168.3 Ų | 168.3 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -146.9 | 40.1 | 165.7 | -146.7 | 158.6 | -167.4 | 0 | 0 | 112.9 | ||||
| 64 | K | 30.8 | Very low | 34 | Very low | 196 Ų | 196 | 169.8 Ų | 169.8 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -99.3 | 146.4 | 147.1 | -78.9 | -166.4 | 172.1 | -168.6 | 0 | 107.4 | ||
| 65 | T | 32.7 | Very low | 33.1 | Very low | 139 Ų | 139 | 171.9 Ų | 171.9 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 74.8 | 62.8 | 177.9 | -39.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 66 | V | 32.5 | Very low | 32.3 | Very low | 145 Ų | 145 | 172.9 Ų | 172.9 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | -144 | 77.7 | 115.8 | -170.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 67 | E | 27.8 | Very low | 31.8 | Very low | 183 Ų | 183 | 173 Ų | 173 | 86% | 0.855 | 84% | 0.84 | S | S | * | * | trans | -101.5 | 122.6 | 150.1 | -82.3 | -167 | 105 | 0 | 0 | 108.1 | ||||
| 68 | K | 30.9 | Very low | 31.2 | Very low | 196 Ų | 196 | 178.9 Ų | 178.9 | 85% | 0.852 | 85% | 0.849 | S | S | * | * | trans | 164.3 | 144.9 | 136.4 | -91.8 | 162.7 | -178.2 | 177.7 | 0 | 112.8 | ||||
| 69 | K | 29.9 | Very low | 31.2 | Very low | 220 Ų | 220 | 176.7 Ų | 176.7 | 96% | 0.957 | 85% | 0.85 | S | S | * | * | trans | 78.9 | 116.3 | 176.1 | -62.1 | -173.9 | 174.4 | -177.5 | 0 | 116.4 | ||||
| 70 | G | 31.8 | Very low | 30.7 | Very low | 82 Ų | 82 | 175.6 Ų | 175.6 | 85% | 0.845 | 85% | 0.852 | S | S | * | * | trans | 172.4 | 37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 71 | K | 26.4 | Very low | 30.5 | Very low | 201 Ų | 201 | 169.4 Ų | 169.4 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | trans | -71.7 | 148.2 | 176.3 | -70.1 | -173.3 | 175.1 | -174.2 | 0 | 110.8 | ||||
| 72 | T | 31.2 | Very low | 30.2 | Very low | 121 Ų | 121 | 169.1 Ų | 169.1 | 74% | 0.742 | 85% | 0.845 | S | S | * | * | 150.3 | 141.4 | 114.6 | -59.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 73 | K | 29.1 | Very low | 30.2 | Very low | 198 Ų | 198 | 167.2 Ų | 167.2 | 86% | 0.861 | 84% | 0.843 | S | S | * | * | trans | 61 | 94.9 | 164.2 | -81.3 | 171.3 | 178.9 | 179.6 | 0 | 119.3 | ||||
| 74 | K | 29.3 | Very low | 30.2 | Very low | 192 Ų | 192 | 163.9 Ų | 163.9 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | -73.1 | 158.3 | 134.9 | -82.6 | -179.1 | 174.8 | 176.7 | 0 | 109.6 | ||||
| 75 | K | 28.1 | Very low | 30 | Very low | 208 Ų | 208 | 163.2 Ų | 163.2 | 90% | 0.904 | 84% | 0.836 | S | S | * | * | trans | -134.6 | 143.6 | 154.3 | -166.3 | -170.5 | 177.2 | -160.2 | 0 | 107.4 | ||||
| 76 | E | 28.7 | Very low | 29.7 | Very low | 169 Ų | 169 | 163.2 Ų | 163.2 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -82.3 | 154.4 | -179.4 | -56.7 | 171.4 | 102 | 0 | 0 | 112.6 | ||||
| 77 | E | 29.5 | Very low | 29.6 | Very low | 193 Ų | 193 | 164 Ų | 164 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -149.5 | 156.2 | 146.4 | -159.7 | 145.6 | -142 | 0 | 0 | 109.8 | ||||
| 78 | K | 29.6 | Very low | 29.7 | Very low | 181 Ų | 181 | 162.3 Ų | 162.3 | 79% | 0.787 | 82% | 0.822 | S | S | * | * | trans | -115.8 | 134.6 | -160.9 | -59.1 | 172.2 | -177.6 | 174.4 | 0 | 112.9 | ||||
| 79 | P | 36.2 | Very low | 29.7 | Very low | 128 Ų | 128 | 161.2 Ų | 161.2 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | trans | -114.5 | 128.4 | 156.6 | 34.3 | -23.3 | 0 | 0 | 0 | 111.1 | ||||
| 80 | N | 29.7 | Very low | 29.8 | Very low | 154 Ų | 154 | 156.5 Ų | 156.5 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -147.7 | 126.7 | 175.1 | -171.1 | 17.9 | 0 | 0 | 0 | 110.3 | ||||
| 81 | G | 29.8 | Very low | 29.6 | Very low | 73 Ų | 73 | 159 Ų | 159 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -169.9 | 125.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 82 | K | 28.5 | Very low | 29.8 | Very low | 190 Ų | 190 | 156.1 Ų | 156.1 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -133.8 | 139.9 | -178.1 | -65.8 | -177.9 | 176.6 | -175 | 0 | 109.3 | ||||
| 83 | I | 30.4 | Very low | 29.7 | Very low | 165 Ų | 165 | 154.4 Ų | 154.4 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -141.8 | 118.9 | 172.7 | -53.8 | -178.3 | 0 | 0 | 0 | 108.3 | ||||
| 84 | P | 30.9 | Very low | 29.6 | Very low | 108 Ų | 108 | 152.4 Ų | 152.4 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -66.6 | 164.4 | 172.4 | -24.9 | 38.8 | 0 | 0 | 0 | 113.5 | ||||
| 85 | E | 26.5 | Very low | 29.7 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | cis | 61.8 | 144.2 | 35.9 | -73.6 | -165 | 149.5 | 0 | 0 | 115.6 | ||||
| 86 | H | 27 | Very low | 29.8 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 64% | 0.644 | 79% | 0.788 | S | S | * | * | cis | -167.8 | 133.5 | -28.7 | -174.5 | -52.7 | 0 | 0 | 0 | 105.5 | ||||
| 87 | D | 31.1 | Very low | 29.8 | Very low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -140.6 | 158.6 | 179 | -111.8 | -48.3 | 0 | 0 | 0 | 113.3 | ||||
| 88 | L | 29.4 | Very low | 29.7 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -142.7 | 118.1 | -163.7 | -74.5 | 168.6 | 0 | 0 | 0 | 113.5 | ||||
| 89 | D | 30 | Very low | 29.9 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 126.3 | 173.7 | -83 | -56.5 | 0 | 0 | 0 | 113.1 | ||
| 90 | P | 33.4 | Very low | 29.4 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 132 | -178.8 | 33.8 | -33.1 | 0 | 0 | 0 | 115.1 | ||
| 91 | N | 26.7 | Very low | 29.4 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 132.4 | 179.1 | 164.3 | 20.4 | 0 | 0 | 0 | 115.5 | T93 | N91-T93 PolarHBondContact OD1-OG1 2.84Š|
| 92 | V | 31 | Very low | 29.2 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -145 | 147.2 | 159.9 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 93 | T | 28.1 | Very low | 29.1 | Very low | 85 Ų | 85 | 147.8 Ų | 147.8 | 52% | 0.521 | 79% | 0.786 | S | S | . | * | 177 | 106.7 | -53.6 | -92 | 0 | 0 | 0 | 0 | 109 | N91 | N91-T93 PolarHBondContact OD1-OG1 2.84Š| |||
| 94 | I | 27.3 | Very low | 28.7 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | 68.7 | 138.4 | 163.1 | -40.4 | 160.4 | 0 | 0 | 0 | 114.3 | ||||
| 95 | I | 31.3 | Very low | 28.6 | Very low | 151 Ų | 151 | 146 Ų | 146 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | -171.1 | 161.5 | 74.1 | -71.4 | 161.7 | 0 | 0 | 0 | 110.4 | |||||
| 96 | L | 31.5 | Very low | 28.5 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | 99 | 82.8 | 156.7 | -96 | 155.3 | 0 | 0 | 0 | 122.1 | ||||
| 97 | K | 27.8 | Very low | 28.7 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | 39.2 | 109.7 | 131.8 | -60.9 | -177.2 | 175.2 | -179.9 | 0 | 122.9 | ||||
| 98 | E | 28.5 | Very low | 28.5 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | 50.4 | 150.2 | 118.2 | -70.5 | -172.2 | 115.4 | 0 | 0 | 124.6 | |||||
| 99 | P | 32.4 | Very low | 28.6 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -110.8 | 163.9 | -160 | 42 | -33.3 | 0 | 0 | 0 | 116 | ||||
| 100 | V | 26.6 | Very low | 28.5 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | -141 | 124.5 | 177 | 179.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 101 | R | 28.3 | Very low | 28.3 | Very low | 230 Ų | 230 | 133.4 Ų | 133.4 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | trans | 66.9 | 110.8 | 158.6 | -69.2 | 167.1 | -149.8 | -147.2 | 3.6 | 120.6 | ||||
| 102 | V | 25.6 | Very low | 28.3 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | trans | -33.3 | 146.4 | 143.1 | -73.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 103 | S | 26.7 | Very low | 28.3 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -142.1 | 148.9 | 148.9 | -173 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 104 | A | 23.1 | Very low | 28.2 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -130.4 | 127.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 105 | V | 28.4 | Very low | 28.3 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | -137.1 | 149.3 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 106 | A | 24.3 | Very low | 28.2 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -59.3 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 107 | V | 31.8 | Very low | 28.1 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | -160.1 | 146.8 | 60.2 | 166.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 108 | A | 25.5 | Very low | 28 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | trans | -107.7 | 156.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 109 | P | 33.2 | Very low | 27.9 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | -158.4 | -159.5 | 63.7 | 42 | -18.4 | 0 | 0 | 0 | 116.2 | |||||
| 110 | T | 26.7 | Very low | 27.8 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | 60.6 | 112.9 | 153 | 49.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 111 | S | 29.9 | Very low | 27.6 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | -148.3 | 155.5 | 113.1 | -164.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 112 | V | 25.5 | Very low | 27.4 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -96.6 | 143.5 | -172.6 | -74.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 113 | H | 30.7 | Very low | 27.3 | Very low | 188 Ų | 188 | 122.2 Ų | 122.2 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | -157.2 | 150.2 | 128 | -127 | -88.4 | 0 | 0 | 0 | 111.8 | |||||
| 114 | S | 27.6 | Very low | 27.1 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -110.3 | 139.9 | -171.1 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 115 | S | 28.6 | Very low | 27.4 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -149.8 | 94.4 | 154.1 | -160.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 116 | V | 29.5 | Very low | 27.4 | Very low | 145 Ų | 145 | 120.7 Ų | 120.7 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | 24.7 | 126.5 | 134.6 | -172.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 117 | G | 28.9 | Very low | 27.4 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 168.6 | 17.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 118 | H | 25.9 | Very low | 27.6 | Very low | 185 Ų | 185 | 121.8 Ų | 121.8 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -68.2 | 149.3 | 165.1 | -76.6 | -153.7 | 0 | 0 | 0 | 109.4 | ||||
| 119 | T | 26.3 | Very low | 27.7 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -160.7 | 169.3 | 6.1 | 7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 120 | P | 30.6 | Very low | 27.5 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -86.2 | 159.5 | -175.4 | 36.1 | -35.9 | 0 | 0 | 0 | 113.8 | ||||
| 121 | I | 22.8 | Very low | 27.5 | Very low | 171 Ų | 171 | 131 Ų | 131 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -171.2 | 155 | 153.9 | -106.9 | 154.7 | 0 | 0 | 0 | 112.7 | ||||
| 122 | A | 22.9 | Very low | 27.3 | Very low | 79 Ų | 79 | 133 Ų | 133 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | trans | 64.1 | 109.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 123 | T | 23.4 | Very low | 27.5 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | 81.8 | 133.6 | 123.9 | -55.3 | 0 | 0 | 0 | 0 | 120.9 | P125 | T123-P125 WeakPolarHBondContact O-CD 3.4Š| |||
| 124 | V | 22.8 | Very low | 27.3 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -99.4 | 122.4 | -179.8 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 125 | P | 29.5 | Very low | 27.3 | Very low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -106.9 | 136.8 | 156.6 | 37.1 | -29 | 0 | 0 | 0 | 110.9 | T123 | T123-P125 WeakPolarHBondContact O-CD 3.4Š| ||
| 126 | A | 28.1 | Very low | 27.5 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | 102.1 | 59.2 | 102.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 127 | M | 26 | Very low | 27.3 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | -66.7 | 162.5 | 110.9 | -68 | -174.5 | 80.5 | 0 | 0 | 113.2 | K1538 | M127-K1538 VanDerWaalsContact O-CD 3.23Å; M127-K1538 WeakPolarHBondContact O-CD 3.42Å; M127-K1538 WeakPolarHBondContact O-CE 3.06Å; M127-K1538 PolarHBondContact O-NZ 2.81Å | |||
| 128 | P | 34.6 | Very low | 27.2 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 54% | 0.539 | 75% | 0.753 | S | S | . | * | cis | -120.2 | 164 | 2.7 | 40 | -27.6 | 0 | 0 | 0 | 114.7 | ||||
| 129 | Q | 28.8 | Very low | 27.2 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | trans | -102.6 | 136.7 | 166.8 | -104.9 | -179.4 | -83 | 0 | 0 | 111.8 | ||||
| 130 | E | 28.4 | Very low | 27.1 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 31.4 | 120.1 | 141.3 | -56.1 | 173.3 | 100.9 | 0 | 0 | 118.1 | ||||
| 131 | K | 27.2 | Very low | 26.9 | Very low | 198 Ų | 198 | 138.5 Ų | 138.5 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | -153.5 | 128.4 | 60.8 | -85.5 | 176.3 | 175.5 | 173.9 | 0 | 113.4 | |||||
| 132 | L | 24.6 | Very low | 27 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | -91.9 | 136.2 | 152.2 | -79.2 | 165.5 | 0 | 0 | 0 | 108.6 | ||||
| 133 | A | 30 | Very low | 27.2 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | trans | -143.3 | 128 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 134 | S | 27 | Very low | 27.3 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | trans | -24.6 | 148.5 | 166.6 | 45.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 135 | S | 27.2 | Very low | 27.5 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | cis | -168.5 | 163.3 | 13.5 | -118.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 136 | P | 32.7 | Very low | 27.3 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 65% | 0.651 | S | S | * | * | trans | -84.9 | 139.8 | 175.7 | 34.1 | -34.2 | 0 | 0 | 0 | 113.2 | ||||
| 137 | K | 26.2 | Very low | 27.4 | Very low | 202 Ų | 202 | 125.1 Ų | 125.1 | 88% | 0.878 | 65% | 0.645 | S | S | * | * | trans | -175.4 | 152.9 | 146.7 | -102.8 | 147.6 | -176.5 | 171 | 0 | 108.1 | ||||
| 138 | D | 26.1 | Very low | 27.7 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 55% | 0.551 | 63% | 0.628 | S | S | * | * | cis | 162.8 | 170.3 | -9.1 | 173.2 | 18.3 | 0 | 0 | 0 | 102.7 | ||||
| 139 | R | 26.4 | Very low | 27.5 | Very low | 201 Ų | 201 | 121.9 Ų | 121.9 | 76% | 0.758 | 63% | 0.625 | S | S | * | * | trans | 78.2 | 116.8 | 168.1 | -69 | 136.7 | -156.5 | -119.4 | -5.4 | 117.8 | ||||
| 140 | K | 23.7 | Very low | 27.5 | Very low | 178 Ų | 178 | 121.8 Ų | 121.8 | 77% | 0.774 | 62% | 0.624 | S | S | * | * | cis | 84.6 | 81.7 | 40.5 | -175 | -171.5 | -176.5 | 172.1 | 0 | 112.6 | ||||
| 141 | K | 26.7 | Very low | 27.8 | Very low | 180 Ų | 180 | 120.5 Ų | 120.5 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | trans | 176.9 | 146.1 | 136.5 | -98.4 | 170.2 | 179 | -178.5 | 0 | 108.5 | ||||
| 142 | K | 23.9 | Very low | 27.9 | Very low | 102 Ų | 102 | 114.6 Ų | 114.6 | 44% | 0.443 | 62% | 0.617 | S | S | . | * | cis | -168 | 150.4 | -24.8 | -122.2 | -170.3 | -177.4 | -131.7 | 0 | 105.1 | Q1053 Q1054 | K142-Q1053 CarbonylContact O-C 3.3Å; K142-Q1054 WeakPolarHBondContact O-CA 3.34Å; K142-Q1054 WeakPolarHBondContact O-CB 3.38Å; K142-Q1054 PolarHBondContact O-N 2.85Å; K142-Q1054 VanDerWaalsContact O-N 3.12Å | ||
| 143 | E | 27.1 | Very low | 28 | Very low | 41 Ų | 41 | 114 Ų | 114 | 19% | 0.192 | 62% | 0.62 | C | S | . | * | 29.9 | 147.2 | 109.2 | -148.4 | -161.9 | 143.7 | 0 | 0 | 117.9 | Q1050 Q1053 Q1054 | E143-Q1050 WeakPolarHBondContact CA-O 3.43Å; E143-Q1050 HydrophobicContact CG-CB 4.15Å; E143-Q1050 HydrophobicContact CG-CG 4.05Å; E143-Q1050 VanDerWaalsContact CG-O 3.25Å; E143-Q1050 WeakPolarHBondContact CG-O 3.41Å; E143-Q1050 WeakPolarHBondContact OE1-CG 3.38Å; E143-Q1050 PolarHBondContact OE1-NE2 2.88Å; E143-Q1053 CarbonylContact O-C 3.52Å; E143-Q1053 VanDerWaalsContact O-CB 3.27Å; E143-Q1053 WeakPolarHBondContact O-CB 3.38Å; E143-Q1054 PolarHBondContact O-N 3.04Å | |||
| 144 | K | 26.7 | Very low | 27.7 | Very low | 50 Ų | 50 | 114.3 Ų | 114.3 | 22% | 0.217 | 62% | 0.617 | C | S | . | * | trans | 161.1 | 0 | 166.3 | -19.4 | -169.3 | 160 | -64.4 | 0 | 134.9 | R1049 Q1050 E1051 E1052 Q1053 | K144-R1049 VanDerWaalsContact CA-C 3.49Å; K144-R1049 HydrophobicContact CB-CG 4.2Å; K144-R1049 WeakPolarHBondContact CB-O 3.37Å; K144-R1049 HydrophobicContact CD-CG 4.28Å; K144-R1049 WeakPolarHBondContact CD-O 3.31Å; K144-R1049 WeakPolarHBondContact CE-O 3.45Å; K144-R1049 VanDerWaalsContact CG-C 3.44Å; K144-R1049 WeakPolarHBondContact CG-O 3.39Å; K144-R1049 PolarHBondContact NZ-O 2.82Å; K144-R1049 VanDerWaalsContact O-CA 3.32Å; K144-R1049 WeakPolarHBondContact O-CA 3.45Å; K144-Q1050 PolarHBondContact N-O 3.5Å; K144-E1051 VanDerWaalsContact C-C 3.46Å; K144-E1052 WeakPolarHBondContact O-CB 3.33Å; K144-E1052 PolarHBondContact O-N 2.96Å; K144-Q1053 VanDerWaalsContact CA-N 3.35Å; K144-Q1053 HydrophobicContact CB-CB 3.83Å; K144-Q1053 HydrophobicContact CB-CG 3.75Å; K144-Q1053 PolarHBondContact O-N 2.9Å | ||
| 145 | K | 26 | Very low | 27.8 | Very low | 67 Ų | 67 | 114.2 Ų | 114.2 | 29% | 0.291 | 62% | 0.616 | S | S | . | * | 0 | 170.5 | 0 | -128.7 | 178.6 | -141.1 | 152.9 | 0 | 115.9 | A1047 S1048 R1049 Q1050 E1051 | K145-A1047 VanDerWaalsContact CB-C 3.41Å; K145-A1047 WeakPolarHBondContact CB-O 3.22Å; K145-A1047 HydrophobicContact CD-CB 3.68Å; K145-A1047 WeakPolarHBondContact CD-O 3.31Å; K145-A1047 WeakPolarHBondContact CG-O 3.5Å; K145-S1048 CarbonylContact C-O 3.56Å; K145-S1048 PolarHBondContact N-O 2.85Å; K145-S1048 CarbonylContact O-C 3.6Å; K145-S1048 WeakPolarHBondContact O-CA 3.32Å; K145-S1048 PolarHBondContact O-OG 3.27Å; K145-R1049 VanDerWaalsContact N-CA 3.34Å; K145-Q1050 VanDerWaalsContact CB-C 3.41Å; K145-Q1050 VanDerWaalsContact CB-CA 3.48Å; K145-Q1050 HydrophobicContact CB-CB 3.88Å; K145-Q1050 HydrophobicContact CD-CB 3.63Å; K145-Q1050 HydrophobicContact CG-CB 3.83Å; K145-E1051 VanDerWaalsContact CA-CA 3.43Å; K145-E1051 VanDerWaalsContact CA-OE2 3.24Å; K145-E1051 WeakPolarHBondContact CA-OE2 3.4Å; K145-E1051 HydrophobicContact CB-CB 4.19Å; K145-E1051 HydrophobicContact CG-CB 3.6Å | |||
| 146 | V | 25.5 | Very low | 27.7 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 59% | 0.588 | 62% | 0.617 | S | S | * | * | trans | -12.4 | 120.9 | 138.7 | 178.8 | 0 | 0 | 0 | 0 | 120.3 | A1047 S1048 E1051 | V146-A1047 CarbonylContact O-C 3.55Å; V146-S1048 WeakPolarHBondContact O-CA 3.25Å; V146-S1048 VanDerWaalsContact O-CB 3.27Å; V146-S1048 WeakPolarHBondContact O-CB 3.43Å; V146-S1048 PolarHBondContact O-N 2.91Å; V146-S1048 PolarHBondContact O-OG 2.9Å; V146-E1051 PolarHBondContact N-OE2 2.86Å | ||
| 147 | A | 31.7 | Very low | 27.3 | Very low | 67 Ų | 67 | 116.4 Ų | 116.4 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | trans | -160.8 | 157.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1048 | A147-S1048 VanDerWaalsContact CB-CB 3.45Å; A147-S1048 WeakPolarHBondContact CB-OG 3.36Å | ||
| 148 | K | 32.4 | Very low | 27.5 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 41% | 0.413 | 61% | 0.613 | S | S | . | * | cis | -163.2 | 117.2 | -20.2 | 167.4 | 170.4 | 179.8 | 174 | 0 | 107.2 | L1041 K1044 | K148-L1041 HydrophobicContact CD-CD1 4.32Å; K148-K1044 HydrophobicContact CD-CB 3.89Å; K148-K1044 HydrophobicContact CD-CD 4.17Å | ||
| 149 | V | 28.9 | Very low | 27.5 | Very low | 77 Ų | 77 | 112.9 Ų | 112.9 | 47% | 0.467 | 61% | 0.612 | S | S | . | * | trans | 53.2 | 104.9 | 135.2 | 166.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 150 | E | 28.4 | Very low | 27.4 | Very low | 164 Ų | 164 | 110.7 Ų | 110.7 | 77% | 0.766 | 61% | 0.614 | S | S | * | * | 83.9 | 174.3 | 99.7 | -73.6 | 167 | -151.9 | 0 | 0 | 114 | |||||
| 151 | P | 36.4 | Very low | 27.5 | Very low | 123 Ų | 123 | 110.6 Ų | 110.6 | 80% | 0.799 | 62% | 0.616 | S | S | * | * | cis | -109.1 | -119.7 | -21.7 | 16.2 | 8.5 | 0 | 0 | 0 | 110.1 | ||||
| 152 | A | 28.3 | Very low | 27.4 | Very low | 75 Ų | 75 | 107.5 Ų | 107.5 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | cis | -165.5 | 148.3 | -9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 153 | V | 26.6 | Very low | 27.7 | Very low | 147 Ų | 147 | 110.3 Ų | 110.3 | 89% | 0.891 | 63% | 0.631 | S | S | * | * | trans | 60.5 | 159.3 | 158.4 | -162.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 154 | S | 24.9 | Very low | 27.6 | Very low | 100 Ų | 100 | 112.7 Ų | 112.7 | 70% | 0.699 | 66% | 0.658 | S | S | * | * | -172.9 | 177.4 | -58.3 | -167.3 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 155 | S | 28.5 | Very low | 27.7 | Very low | 110 Ų | 110 | 115.6 Ų | 115.6 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | 86.2 | 162.5 | 174 | 81.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 156 | I | 25.6 | Very low | 27.8 | Very low | 151 Ų | 151 | 122 Ų | 122 | 77% | 0.774 | 71% | 0.712 | S | S | * | * | -164.6 | 142.7 | -65.2 | -105 | 160.3 | 0 | 0 | 0 | 110.8 | |||||
| 157 | V | 23.6 | Very low | 27.8 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 70% | 0.697 | 72% | 0.724 | S | S | * | * | trans | 23.1 | 123.6 | 158.3 | -175.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 158 | N | 30.9 | Very low | 27.5 | Very low | 155 Ų | 155 | 123.9 Ų | 123.9 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | trans | -167.4 | 164.2 | 139.9 | -99.8 | -36.8 | 0 | 0 | 0 | 110.2 | ||||
| 159 | S | 25.6 | Very low | 27.1 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 52% | 0.524 | 75% | 0.747 | S | S | . | * | cis | 178.8 | 120.7 | -43.9 | -93.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 160 | I | 23.7 | Very low | 26.8 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 80% | 0.795 | 76% | 0.759 | S | S | * | * | trans | 67.9 | 152.2 | 154.6 | -44.6 | 168.1 | 0 | 0 | 0 | 118.4 | ||||
| 161 | Q | 27.1 | Very low | 26.7 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | 103.9 | 123.8 | 164.8 | -57.9 | -168.4 | 59.4 | 0 | 0 | 115.7 | ||||
| 162 | V | 23.9 | Very low | 26.1 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | cis | 121.3 | 156.4 | 19.4 | 160.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 163 | L | 30.7 | Very low | 26.1 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | 76.1 | 109.2 | -168.1 | -47.3 | -178.7 | 0 | 0 | 0 | 112.6 | ||||
| 164 | A | 25.2 | Very low | 26.1 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | cis | 88.7 | 157 | 27.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 165 | S | 28.7 | Very low | 26 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | 69.6 | 110.2 | -172.2 | -59.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 166 | K | 26.7 | Very low | 25.8 | Very low | 203 Ų | 203 | 118 Ų | 118 | 88% | 0.883 | 67% | 0.671 | S | S | * | * | 57.5 | 102.7 | 62.1 | -61.4 | -177.5 | 175.9 | 179.2 | 0 | 113.2 | |||||
| 167 | S | 26 | Very low | 25.9 | Very low | 120 Ų | 120 | 116.2 Ų | 116.2 | 84% | 0.839 | 67% | 0.668 | S | S | * | * | trans | -162.2 | 143 | 136.5 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 168 | A | 26.2 | Very low | 26 | Very low | 82 Ų | 82 | 112.6 Ų | 112.6 | 68% | 0.678 | 65% | 0.646 | S | S | * | * | trans | 67.6 | 127.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 169 | I | 24 | Very low | 25.7 | Very low | 149 Ų | 149 | 112.4 Ų | 112.4 | 76% | 0.764 | 64% | 0.642 | S | S | * | * | cis | 70.7 | 87.3 | 34.2 | -51.1 | 164.4 | 0 | 0 | 0 | 107.1 | ||||
| 170 | L | 22.2 | Very low | 25.7 | Very low | 138 Ų | 138 | 113.5 Ų | 113.5 | 72% | 0.723 | 65% | 0.645 | S | S | * | * | -179.9 | 167.3 | 69.9 | -91.8 | 162.2 | 0 | 0 | 0 | 108.6 | |||||
| 171 | E | 25.8 | Very low | 25.7 | Very low | 166 Ų | 166 | 107.1 Ų | 107.1 | 78% | 0.776 | 62% | 0.616 | S | S | * | * | cis | -169.7 | -125.5 | -7.5 | -173 | 165.8 | -149.3 | 0 | 0 | 106.8 | T173 | E171-T173 PolarHBondContact O-N 2.89Š| ||
| 172 | A | 25 | Very low | 25.7 | Very low | 70 Ų | 70 | 100.1 Ų | 100.1 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | trans | 55.2 | 56.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | P174 | A172-P174 VanDerWaalsContact O-CD 3.28Å; A172-P174 WeakPolarHBondContact O-CD 3.46Å | ||
| 173 | T | 27.6 | Very low | 26.1 | Very low | 86 Ų | 86 | 94.7 Ų | 94.7 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | trans | -55.7 | 132.3 | 160.3 | 59.6 | 0 | 0 | 0 | 0 | 110.9 | E171 K175 | E171-T173 PolarHBondContact O-N 2.89Å; T173-K175 WeakPolarHBondContact OG1-CE 3.43Å; T173-K175 PolarHBondContact OG1-NZ 3.31Å | ||
| 174 | P | 25.5 | Very low | 26 | Very low | 56 Ų | 56 | 87.5 Ų | 87.5 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | -121.6 | 137.5 | 112.7 | 37.6 | -36.2 | 0 | 0 | 0 | 110.2 | A172 | A172-P174 VanDerWaalsContact O-CD 3.28Å; A172-P174 WeakPolarHBondContact O-CD 3.46Å | |||
| 175 | K | 23.5 | Very low | 26 | Very low | 66 Ų | 66 | 83.2 Ų | 83.2 | 29% | 0.287 | 48% | 0.479 | S | S | . | . | 59.9 | 134.3 | 58.6 | -53.1 | 150.9 | -179.8 | 161.4 | 0 | 106.9 | T173 E282 Q305 | T173-K175 WeakPolarHBondContact OG1-CE 3.43Å; T173-K175 PolarHBondContact OG1-NZ 3.31Å; K175-E282 IonicContact NZ-OE2 2.89Å; K175-E282 PolarHBondContact NZ-OE2 2.57Å; K175-Q305 VanDerWaalsContact C-CD 3.42Å; K175-Q305 PolarHBondContact O-NE2 2.73Å; K175-Q305 PolarHBondContact O-OE1 2.96Å | |||
| 176 | E | 24.7 | Very low | 25.8 | Very low | 37 Ų | 37 | 78 Ų | 78 | 17% | 0.173 | 44% | 0.444 | C | S | . | . | cis | -99.6 | 171.3 | 34.3 | -144.1 | -177.1 | 128.2 | 0 | 0 | 111.5 | Q285 Q287 Q305 Q307 | E176-Q285 HydrophobicContact CG-CG 3.72Å; E176-Q287 PolarHBondContact OE1-NE2 3.44Å; E176-Q305 VanDerWaalsContact CB-OE1 3.25Å; E176-Q305 HydrophobicContact CG-CB 4.02Å; E176-Q305 VanDerWaalsContact N-CD 3.35Å; E176-Q307 PolarHBondContact OE1-NE2 3.37Å; E176-Q307 PolarHBondContact OE2-NE2 3.47Å | ||
| 177 | V | 26.5 | Very low | 25.8 | Very low | 114 Ų | 114 | 68.5 Ų | 68.5 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | trans | -113.5 | -101.7 | 157.1 | -151.5 | 0 | 0 | 0 | 0 | 109.6 | Q285 | V177-Q285 VanDerWaalsContact N-NE2 3.2Š| ||
| 178 | P | 26.5 | Very low | 25.8 | Very low | 39 Ų | 39 | 68 Ų | 68 | 25% | 0.253 | 39% | 0.386 | S | S | . | . | -116 | 175.1 | -102.1 | 34.5 | -27 | 0 | 0 | 0 | 117 | Q287 | P178-Q287 PolarHBondContact O-NE2 3.03Š| |||
| 179 | M | 23.7 | Very low | 25.8 | Very low | 151 Ų | 151 | 65.1 Ų | 65.1 | 74% | 0.744 | 36% | 0.362 | S | S | * | . | trans | -33.1 | 157.7 | 151.8 | -81.2 | 165.6 | 59.2 | 0 | 0 | 118.8 | ||||
| 180 | V | 26.4 | Very low | 25.9 | Very low | 97 Ų | 97 | 64.4 Ų | 64.4 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | trans | 73.1 | 173 | 134.1 | 169.9 | 0 | 0 | 0 | 0 | 119.8 | Q267 | V180-Q267 PolarHBondContact O-NE2 3.3Å; V180-Q267 PolarHBondContact O-OE1 3.08Å | ||
| 181 | A | 23.4 | Very low | 26.1 | Very low | 21 Ų | 21 | 62 Ų | 62 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | trans | 72.9 | 159.7 | 175 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q247 Q267 K269 | A181-Q247 VanDerWaalsContact CB-CD 3.46Å; A181-Q247 HydrophobicContact CB-CG 4.22Å; A181-Q267 PolarHBondContact O-OE1 3.09Å; A181-K269 WeakPolarHBondContact O-CE 3.27Å; A181-K269 PolarHBondContact O-NZ 3.49Å | ||
| 182 | V | 28 | Very low | 26.9 | Very low | 31 Ų | 31 | 59.3 Ų | 59.3 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | trans | -177.5 | 143.8 | 179.9 | -108.9 | 0 | 0 | 0 | 0 | 108.6 | Q227 Q247 G248 K249 K269 | V182-Q227 VanDerWaalsContact O-CD 3.26Å; V182-Q227 PolarHBondContact O-OE1 2.82Å; V182-Q247 VanDerWaalsContact CA-CB 3.45Å; V182-Q247 HydrophobicContact CG1-CB 4.31Å; V182-G248 WeakPolarHBondContact CG1-O 3.45Å; V182-K249 HydrophobicContact CB-CD 4.35Å; V182-K249 HydrophobicContact CB-CG 3.9Å; V182-K249 HydrophobicContact CG1-CG 3.89Å; V182-K249 VanDerWaalsContact CG2-CE 3.43Å; V182-K249 HydrophobicContact CG2-CG 4.47Å; V182-K269 HydrophobicContact CG1-CB 4.43Å; V182-K269 HydrophobicContact CG1-CD 3.49Å; V182-K269 VanDerWaalsContact CG1-CD 3.49Å; V182-K269 VanDerWaalsContact CG1-CE 3.46Å; V182-K269 HydrophobicContact CG1-CG 3.74Å | ||
| 183 | P | 32.7 | Very low | 27.3 | Very low | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 36% | 0.359 | C | S | . | . | cis | -121.1 | -151.8 | 5.2 | 5.1 | 22.7 | 0 | 0 | 0 | 117.1 | Q227 A228 K229 Q247 K249 | P183-Q227 VanDerWaalsContact CD-CD 3.46Å; P183-Q227 HydrophobicContact CG-CB 4.49Å; P183-A228 WeakPolarHBondContact CB-O 3.46Å; P183-A228 WeakPolarHBondContact CG-O 3.35Å; P183-K229 HydrophobicContact CG-CG 4.41Å; P183-Q247 VanDerWaalsContact C-CA 3.45Å; P183-Q247 VanDerWaalsContact C-N 3.27Å; P183-Q247 WeakPolarHBondContact O-CA 3.49Å; P183-Q247 VanDerWaalsContact O-CB 3.3Å; P183-Q247 WeakPolarHBondContact O-CB 3.11Å; P183-Q247 PolarHBondContact O-N 3.27Å; P183-Q247 PolarHBondContact O-OE1 3.39Å; P183-K249 HydrophobicContact CB-CB 3.74Å; P183-K249 HydrophobicContact CB-CD 4.37Å; P183-K249 HydrophobicContact CB-CG 3.85Å; P183-K249 HydrophobicContact CG-CB 3.83Å; P183-K249 HydrophobicContact CG-CD 3.54Å; P183-K249 HydrophobicContact CG-CG 3.59Å | ||
| 184 | P | 27.3 | Very low | 28.2 | Very low | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | -144.8 | -132 | 99.4 | 27.5 | 4.2 | 0 | 0 | 0 | 115.9 | N226 A228 N236 N246 Q247 N256 | P184-N226 VanDerWaalsContact CB-C 3.46Å; P184-N226 HydrophobicContact CB-CB 3.68Å; P184-N226 WeakPolarHBondContact CB-O 3.25Å; P184-N226 HydrophobicContact CG-CB 3.89Å; P184-A228 VanDerWaalsContact CA-N 3.29Å; P184-N236 HydrophobicContact CB-CB 4.45Å; P184-N236 VanDerWaalsContact CB-OD1 3.3Å; P184-N236 WeakPolarHBondContact CB-OD1 3.35Å; P184-N236 HydrophobicContact CG-CB 3.84Å; P184-N236 WeakPolarHBondContact CG-ND2 3.49Å; P184-N246 HydrophobicContact CG-CB 3.74Å; P184-Q247 WeakPolarHBondContact CD-O 3.4Å; P184-Q247 VanDerWaalsContact N-C 3.31Å; P184-N256 WeakPolarHBondContact CD-OD1 3.37Å | |||
| 185 | V | 25 | Very low | 29.2 | Very low | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | trans | -116.3 | 130.1 | -142.1 | -156.1 | 0 | 0 | 0 | 0 | 111.6 | A208 N216 Q227 A228 A234 Q235 N236 | V185-A208 HydrophobicContact CG1-CB 3.54Å; V185-A208 HydrophobicContact CG2-CB 4.2Å; V185-N216 HydrophobicContact CG2-CB 4.01Å; V185-N216 WeakPolarHBondContact CG2-ND2 3.49Å; V185-N216 WeakPolarHBondContact CG2-OD1 3.43Å; V185-Q227 WeakPolarHBondContact CG2-O 3.44Å; V185-A228 HydrophobicContact CB-CB 3.62Å; V185-A228 HydrophobicContact CG1-CB 3.62Å; V185-A228 HydrophobicContact CG2-CB 3.32Å; V185-A234 CarbonylContact O-C 3.59Å; V185-A234 VanDerWaalsContact O-CA 3.31Å; V185-A234 WeakPolarHBondContact O-CA 3.36Å; V185-Q235 CarbonylContact O-C 3.55Å; V185-Q235 PolarHBondContact O-N 3.39Å; V185-N236 WeakPolarHBondContact CB-OD1 3.37Å; V185-N236 WeakPolarHBondContact CG2-OD1 3.44Å; V185-N236 PolarHBondContact N-ND2 2.94Å; V185-N236 PolarHBondContact N-OD1 3.07Å; V185-N236 PolarHBondContact O-ND2 3.35Å; V185-N236 PolarHBondContact O-OD1 3.24Å | ||
| 186 | G | 25.8 | Very low | 30.8 | Very low | 3 Ų | 3 | 58.5 Ų | 58.5 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | -118.3 | -178.7 | 101.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 187 | S | 25.9 | Very low | 32.2 | Very low | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | cis | -157.7 | -166.9 | 13.7 | -11.7 | 0 | 0 | 0 | 0 | 118.9 | G211 E212 A214 G231 E232 | S187-G211 WeakPolarHBondContact CA-O 3.44Å; S187-G211 WeakPolarHBondContact CB-O 3.26Å; S187-G211 PolarHBondContact N-O 2.86Å; S187-G211 CarbonylContact O-C 3.59Å; S187-G211 VanDerWaalsContact O-CA 3.28Å; S187-G211 WeakPolarHBondContact O-CA 3.39Å; S187-G211 PolarHBondContact OG-O 3.45Å; S187-E212 VanDerWaalsContact CB-C 3.46Å; S187-E212 VanDerWaalsContact CB-CA 3.46Å; S187-A214 VanDerWaalsContact C-N 3.32Å; S187-A214 VanDerWaalsContact CB-N 3.28Å; S187-A214 WeakPolarHBondContact O-CB 3.26Å; S187-G231 WeakPolarHBondContact OG-CA 3.38Å; S187-G231 PolarHBondContact OG-O 2.83Å; S187-E232 WeakPolarHBondContact CB-O 3.41Å; S187-E232 PolarHBondContact OG-N 3.41Å; S187-E232 VanDerWaalsContact OG-N 3.1Å; S187-E232 PolarHBondContact OG-O 2.99Å | ||
| 188 | K | 25.9 | Very low | 33.4 | Very low | 110 Ų | 110 | 56.9 Ų | 56.9 | 48% | 0.478 | 35% | 0.354 | S | S | . | . | trans | -68.2 | -68.2 | -146.3 | -152 | -157.5 | -43.8 | 162.9 | 0 | 121.9 | A193 E212 G213 | K188-A193 WeakPolarHBondContact O-CA 3.24Å; K188-A193 WeakPolarHBondContact O-CB 3.33Å; K188-E212 VanDerWaalsContact CB-C 3.42Å; K188-E212 WeakPolarHBondContact CB-O 3.47Å; K188-E212 WeakPolarHBondContact CE-O 3.24Å; K188-E212 PolarHBondContact N-O 2.61Å; K188-G213 WeakPolarHBondContact CB-O 3.23Å; K188-G213 WeakPolarHBondContact CG-O 3.45Å; K188-G213 VanDerWaalsContact N-C 3.35Å; K188-G213 VanDerWaalsContact N-N 3.11Å | ||
| 189 | A | 27.3 | Very low | 34.6 | Very low | 21 Ų | 21 | 64.1 Ų | 64.1 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | -75.8 | -157.5 | -99.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | S191 E212 | A189-S191 PolarHBondContact O-N 3.42Å; A189-E212 HydrophobicContact CB-CB 4.36Å; A189-E212 WeakPolarHBondContact CB-OE2 3.44Å | |||
| 190 | S | 24.7 | Very low | 35.5 | Very low | 133 Ų | 133 | 65.9 Ų | 65.9 | 93% | 0.93 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -62.9 | 22.4 | 176.5 | -37.2 | 0 | 0 | 0 | 0 | 114 | ||
| 191 | S | 27.6 | Very low | 36.6 | Very low | 87 Ų | 87 | 63 Ų | 63 | 61% | 0.608 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -147 | 132.9 | 167.3 | 61.1 | 0 | 0 | 0 | 0 | 107.8 | A189 | A189-S191 PolarHBondContact O-N 3.42Š|
| 192 | P | 42.3 | Very low | 38 | Very low | 110 Ų | 110 | 69.5 Ų | 69.5 | 71% | 0.714 | 40% | 0.402 | S | S | * | . | -45.3 | 120.5 | -110 | 29.7 | -36.4 | 0 | 0 | 0 | 115.4 | T194 | P192-T194 PolarHBondContact O-N 3.06Š| |||
| 193 | A | 33.1 | Very low | 39.3 | Very low | 64 Ų | 64 | 70.5 Ų | 70.5 | 53% | 0.529 | 42% | 0.418 | S | S | . | . | trans | -69.1 | 83.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | K188 S195 | K188-A193 WeakPolarHBondContact O-CA 3.24Å; K188-A193 WeakPolarHBondContact O-CB 3.33Å; A193-S195 VanDerWaalsContact C-N 3.28Å; A193-S195 PolarHBondContact O-N 3.05Å | ||
| 194 | T | 46.2 | Very low | 40.8 | Very low | 80 Ų | 80 | 72 Ų | 72 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | trans | -73.8 | 70.3 | -173.1 | 38.8 | 0 | 0 | 0 | 0 | 113.5 | P192 S196 | P192-T194 PolarHBondContact O-N 3.06Å; T194-S196 VanDerWaalsContact C-N 3.34Å; T194-S196 PolarHBondContact O-N 3.34Å | ||
| 195 | S | 47.7 | Very low | 42.9 | Very low | 82 Ų | 82 | 76.1 Ų | 76.1 | 57% | 0.573 | 45% | 0.449 | S | S | * | . | trans | -70.9 | 79.5 | 174.8 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | A193 Q197 | A193-S195 VanDerWaalsContact C-N 3.28Å; A193-S195 PolarHBondContact O-N 3.05Å; S195-Q197 PolarHBondContact O-N 3.32Å | ||
| 196 | S | 55.8 | Low | 45.2 | Very low | 35 Ų | 35 | 77 Ų | 77 | 25% | 0.245 | 45% | 0.454 | C | S | . | . | trans | -67.3 | 121.3 | -180 | 68.9 | 0 | 0 | 0 | 0 | 112.5 | T194 N216 Q217 | T194-S196 VanDerWaalsContact C-N 3.34Å; T194-S196 PolarHBondContact O-N 3.34Å; S196-N216 PolarHBondContact OG-ND2 3.03Å; S196-N216 PolarHBondContact OG-OD1 3.12Å; S196-Q217 PolarHBondContact O-N 2.66Å; S196-Q217 VanDerWaalsContact O-N 3.17Å | ||
| 197 | Q | 55.3 | Low | 47.4 | Very low | 103 Ų | 103 | 80.9 Ų | 80.9 | 48% | 0.481 | 47% | 0.471 | S | S | . | . | trans | -122.4 | 90.9 | 174.9 | -65.7 | -168.6 | 24.4 | 0 | 0 | 110.8 | S195 K199 K219 | S195-Q197 PolarHBondContact O-N 3.32Å; Q197-K199 PolarHBondContact O-N 2.87Å; Q197-K219 VanDerWaalsContact OE1-CE 3.23Å | ||
| 198 | G | 51.8 | Low | 49.4 | Very low | 15 Ų | 15 | 81.3 Ų | 81.3 | 16% | 0.155 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 122.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 199 | K | 50.1 | Low | 51.2 | Low | 191 Ų | 191 | 83.4 Ų | 83.4 | 83% | 0.83 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -73 | 173.8 | 167.8 | -71.8 | -178.6 | 179 | 175.5 | 0 | 109.9 | Q197 G201 | Q197-K199 PolarHBondContact O-N 2.87Å; K199-G201 PolarHBondContact O-N 3.04Å |
| 200 | K | 43.4 | Very low | 52.5 | Low | 188 Ų | 188 | 90.5 Ų | 90.5 | 82% | 0.817 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -48.5 | 128.7 | -177.2 | -55.2 | 171.7 | -175.6 | 172.8 | 0 | 110.9 | ||
| 201 | G | 49.6 | Very low | 53.9 | Low | 36 Ų | 36 | 84.7 Ų | 84.7 | 37% | 0.371 | 47% | 0.472 | S | S | . | . | trans | 175.2 | 153.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K199 G221 | K199-G201 PolarHBondContact O-N 3.04Å; G201-G221 WeakPolarHBondContact O-CA 3.42Å | ||
| 202 | Q | 53 | Low | 55.3 | Low | 157 Ų | 157 | 85.6 Ų | 85.6 | 73% | 0.734 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 143.7 | 166.6 | -69.3 | 173.4 | -43.6 | 0 | 0 | 109.4 | A204 E222 | Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 3.27Å; Q202-E222 WeakPolarHBondContact CG-OE2 3.44Å; Q202-E222 PolarHBondContact NE2-OE2 2.67Å |
| 203 | G | 55.5 | Low | 56 | Low | 52 Ų | 52 | 82 Ų | 82 | 54% | 0.536 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 16.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117 | Q205 E222 | G203-Q205 PolarHBondContact O-N 3.09Å; G203-E222 PolarHBondContact N-O 3.14Å |
| 204 | A | 64.3 | Low | 57.6 | Low | 31 Ų | 31 | 79.5 Ų | 79.5 | 26% | 0.256 | 43% | 0.429 | S | S | . | . | trans | -59.8 | 107.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q202 Q225 | Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 3.27Å; A204-Q225 PolarHBondContact O-N 2.78Å; A204-Q225 VanDerWaalsContact O-N 3.12Å | ||
| 205 | Q | 71.3 | Confident | 58.8 | Low | 97 Ų | 97 | 79 Ų | 79 | 45% | 0.453 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 102.5 | -178.6 | -168 | -167 | 80.5 | 0 | 0 | 112.5 | G203 Q207 Q225 | G203-Q205 PolarHBondContact O-N 3.09Å; Q205-Q207 PolarHBondContact O-N 2.99Å; Q205-Q225 CarbonylContact C-O 3.19Å; Q205-Q225 WeakPolarHBondContact CA-O 3.38Å; Q205-Q225 HydrophobicContact CG-CB 4.39Å; Q205-Q225 WeakPolarHBondContact CG-O 3.21Å |
| 206 | N | 72.5 | Confident | 60 | Low | 19 Ų | 19 | 75.1 Ų | 75.1 | 10% | 0.102 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 106.8 | -178.1 | -57.1 | -63.4 | 0 | 0 | 0 | 111.2 | N216 Q225 N226 Q227 | N206-N216 HydrophobicContact CB-CB 4.5Å; N206-N216 VanDerWaalsContact CB-ND2 3.29Å; N206-N216 WeakPolarHBondContact CB-ND2 3.48Å; N206-N216 PolarHBondContact O-ND2 3.21Å; N206-Q225 PolarHBondContact N-O 3.29Å; N206-Q225 VanDerWaalsContact N-O 3.13Å; N206-N226 PolarHBondContact ND2-OD1 3.45Å; N206-N226 CarbonylContact O-C 3.12Å; N206-Q227 PolarHBondContact O-N 2.82Å; N206-Q227 VanDerWaalsContact O-O 3.1Å |
| 207 | Q | 72.7 | Confident | 60.8 | Low | 84 Ų | 84 | 74.7 Ų | 74.7 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.3 | 178.6 | -89.9 | -168.6 | 73.2 | 0 | 0 | 114.8 | Q205 Q227 | Q205-Q207 PolarHBondContact O-N 2.99Å; Q207-Q227 CarbonylContact C-O 3.41Å; Q207-Q227 VanDerWaalsContact CA-O 3.23Å; Q207-Q227 WeakPolarHBondContact CA-O 3.38Å; Q207-Q227 HydrophobicContact CG-CB 3.48Å; Q207-Q227 VanDerWaalsContact CG-CB 3.48Å |
| 208 | A | 67.2 | Low | 61.3 | Low | 13 Ų | 13 | 70.1 Ų | 70.1 | 11% | 0.107 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 165.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V185 Q227 A228 | V185-A208 HydrophobicContact CG1-CB 3.54Å; V185-A208 HydrophobicContact CG2-CB 4.2Å; A208-Q227 PolarHBondContact N-O 2.93Å; A208-A228 HydrophobicContact CB-CB 3.94Å; A208-A228 WeakPolarHBondContact O-CA 3.47Å; A208-A228 WeakPolarHBondContact O-CB 3.46Å |
| 209 | K | 63.2 | Low | 61.8 | Low | 153 Ų | 153 | 74.2 Ų | 74.2 | 67% | 0.665 | 38% | 0.382 | S | S | * | . | trans | -128.1 | -28.6 | -167.1 | -67.1 | 177.7 | -176.5 | 171.6 | 0 | 116.6 | ||||
| 210 | K | 55.4 | Low | 62 | Low | 170 Ų | 170 | 71 Ų | 71 | 74% | 0.739 | 37% | 0.369 | S | S | * | . | trans | -154.8 | 162.5 | 177.8 | -71.4 | -175.5 | 176.9 | -178.3 | 0 | 111.3 | ||||
| 211 | G | 54.2 | Low | 62.7 | Low | 11 Ų | 11 | 63 Ų | 63 | 11% | 0.113 | 34% | 0.338 | C | S | . | . | trans | 140.8 | 178.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S187 G231 | S187-G211 WeakPolarHBondContact CA-O 3.44Å; S187-G211 WeakPolarHBondContact CB-O 3.26Å; S187-G211 PolarHBondContact N-O 2.86Å; S187-G211 CarbonylContact O-C 3.59Å; S187-G211 VanDerWaalsContact O-CA 3.28Å; S187-G211 WeakPolarHBondContact O-CA 3.39Å; S187-G211 PolarHBondContact OG-O 3.45Å; G211-G231 VanDerWaalsContact O-CA 3.31Å; G211-G231 WeakPolarHBondContact O-CA 3.43Å | ||
| 212 | E | 56.6 | Low | 63.1 | Low | 107 Ų | 107 | 66 Ų | 66 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -128.5 | 86.3 | -169 | -47.5 | 66.9 | -139.1 | 0 | 0 | 116.8 | S187 K188 A189 | S187-E212 VanDerWaalsContact CB-C 3.46Å; S187-E212 VanDerWaalsContact CB-CA 3.46Å; K188-E212 VanDerWaalsContact CB-C 3.42Å; K188-E212 WeakPolarHBondContact CB-O 3.47Å; K188-E212 WeakPolarHBondContact CE-O 3.24Å; K188-E212 PolarHBondContact N-O 2.61Å; A189-E212 HydrophobicContact CB-CB 4.36Å; A189-E212 WeakPolarHBondContact CB-OE2 3.44Å |
| 213 | G | 57.9 | Low | 63.5 | Low | 35 Ų | 35 | 60.2 Ų | 60.2 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 94.5 | 38.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 125.3 | K188 E232 G233 | K188-G213 WeakPolarHBondContact CB-O 3.23Å; K188-G213 WeakPolarHBondContact CG-O 3.45Å; K188-G213 VanDerWaalsContact N-C 3.35Å; K188-G213 VanDerWaalsContact N-N 3.11Å; G213-E232 PolarHBondContact N-O 3.46Å; G213-G233 CarbonylContact C-O 3.58Å; G213-G233 WeakPolarHBondContact CA-O 3.41Å |
| 214 | A | 66.5 | Low | 64.1 | Low | 10 Ų | 10 | 58.1 Ų | 58.1 | 8% | 0.083 | 30% | 0.304 | C | S | . | . | trans | -108.2 | 179.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | S187 Q235 | S187-A214 VanDerWaalsContact C-N 3.32Å; S187-A214 VanDerWaalsContact CB-N 3.28Å; S187-A214 WeakPolarHBondContact O-CB 3.26Å; A214-Q235 PolarHBondContact O-N 3.39Å | ||
| 215 | Q | 70.2 | Confident | 64.6 | Low | 71 Ų | 71 | 58.5 Ų | 58.5 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 101.3 | -153.3 | -161.9 | -177.5 | 65.5 | 0 | 0 | 114.6 | Q217 Q235 | Q215-Q217 VanDerWaalsContact CD-NE2 3.31Å; Q215-Q217 HydrophobicContact CG-CG 4.11Å; Q215-Q235 VanDerWaalsContact CA-O 3.28Å; Q215-Q235 WeakPolarHBondContact CA-O 3.49Å |
| 216 | N | 74 | Confident | 64.9 | Low | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 133.2 | 167.4 | -79.1 | 18.3 | 0 | 0 | 0 | 111 | V185 S196 N206 N226 Q235 Q237 | V185-N216 HydrophobicContact CG2-CB 4.01Å; V185-N216 WeakPolarHBondContact CG2-ND2 3.49Å; V185-N216 WeakPolarHBondContact CG2-OD1 3.43Å; S196-N216 PolarHBondContact OG-ND2 3.03Å; S196-N216 PolarHBondContact OG-OD1 3.12Å; N206-N216 HydrophobicContact CB-CB 4.5Å; N206-N216 VanDerWaalsContact CB-ND2 3.29Å; N206-N216 WeakPolarHBondContact CB-ND2 3.48Å; N206-N216 PolarHBondContact O-ND2 3.21Å; N216-N226 HydrophobicContact CB-CB 4.33Å; N216-Q235 PolarHBondContact N-O 3.08Å; N216-Q237 PolarHBondContact O-N 2.91Å |
| 217 | Q | 72.3 | Confident | 65.1 | Low | 25 Ų | 25 | 54.2 Ų | 54.2 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 102.4 | -179.3 | -61.2 | -162.7 | 35.5 | 0 | 0 | 113.8 | S196 Q215 Q237 K239 | S196-Q217 PolarHBondContact O-N 2.66Å; S196-Q217 VanDerWaalsContact O-N 3.17Å; Q215-Q217 VanDerWaalsContact CD-NE2 3.31Å; Q215-Q217 HydrophobicContact CG-CG 4.11Å; Q217-Q237 WeakPolarHBondContact CA-O 3.34Å; Q217-Q237 HydrophobicContact CG-CB 4.49Å; Q217-K239 VanDerWaalsContact OE1-CE 3.31Å |
| 218 | G | 66.5 | Low | 65 | Low | 8 Ų | 8 | 50.3 Ų | 50.3 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q237 K239 | G218-Q237 PolarHBondContact N-O 3.49Å; G218-K239 WeakPolarHBondContact O-CB 3.36Å; G218-K239 PolarHBondContact O-N 3.05Å |
| 219 | K | 62.2 | Low | 65 | Low | 100 Ų | 100 | 53.1 Ų | 53.1 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | trans | -87 | -45.5 | -170.1 | -82.2 | 177.5 | 164.4 | 176.6 | 0 | 115.3 | Q197 | Q197-K219 VanDerWaalsContact OE1-CE 3.23Š| ||
| 220 | K | 54.2 | Low | 64.9 | Low | 125 Ų | 125 | 51.9 Ų | 51.9 | 54% | 0.543 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -158.6 | 129.1 | 175.9 | -82.4 | -171 | 176.8 | -174.2 | 0 | 109.5 | K240 | K220-K240 WeakPolarHBondContact CA-O 3.39Å; K220-K240 HydrophobicContact CG-CB 4.29Å |
| 221 | G | 56.8 | Low | 65 | Low | 18 Ų | 18 | 44.6 Ų | 44.6 | 19% | 0.186 | 24% | 0.238 | C | C | . | . | trans | 159.9 | 150.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G201 K240 G241 | G201-G221 WeakPolarHBondContact O-CA 3.42Å; G221-K240 PolarHBondContact N-O 3.15Å; G221-G241 WeakPolarHBondContact O-CA 3.5Å | ||
| 222 | E | 58.6 | Low | 65.3 | Low | 99 Ų | 99 | 49.9 Ų | 49.9 | 46% | 0.463 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 142.5 | 168.3 | -63.8 | 155.5 | 151 | 0 | 0 | 110 | Q202 G203 A224 | Q202-E222 WeakPolarHBondContact CG-OE2 3.44Å; Q202-E222 PolarHBondContact NE2-OE2 2.67Å; G203-E222 PolarHBondContact N-O 3.14Å; E222-A224 VanDerWaalsContact C-N 3.28Å; E222-A224 PolarHBondContact O-N 2.95Å |
| 223 | G | 62 | Low | 65.6 | Low | 37 Ų | 37 | 46.5 Ų | 46.5 | 38% | 0.381 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 19.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q225 E242 | G223-Q225 PolarHBondContact O-N 2.98Å; G223-Q225 VanDerWaalsContact O-N 3.08Å; G223-E242 PolarHBondContact N-O 3.24Å |
| 224 | A | 68 | Low | 66.2 | Low | 8 Ų | 8 | 45.1 Ų | 45.1 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | trans | -60.9 | 112 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E222 A244 Q245 | E222-A224 VanDerWaalsContact C-N 3.28Å; E222-A224 PolarHBondContact O-N 2.95Å; A224-A244 WeakPolarHBondContact O-CA 3.35Å; A224-Q245 PolarHBondContact O-N 3.07Å | ||
| 225 | Q | 74.5 | Confident | 66.6 | Low | 38 Ų | 38 | 47 Ų | 47 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 103.4 | -175.3 | -172.9 | -171.1 | 83.7 | 0 | 0 | 111 | A204 Q205 N206 G223 Q227 Q245 | A204-Q225 PolarHBondContact O-N 2.78Å; A204-Q225 VanDerWaalsContact O-N 3.12Å; Q205-Q225 CarbonylContact C-O 3.19Å; Q205-Q225 WeakPolarHBondContact CA-O 3.38Å; Q205-Q225 HydrophobicContact CG-CB 4.39Å; Q205-Q225 WeakPolarHBondContact CG-O 3.21Å; N206-Q225 PolarHBondContact N-O 3.29Å; N206-Q225 VanDerWaalsContact N-O 3.13Å; G223-Q225 PolarHBondContact O-N 2.98Å; G223-Q225 VanDerWaalsContact O-N 3.08Å; Q225-Q227 HydrophobicContact CG-CG 4.26Å; Q225-Q245 WeakPolarHBondContact CA-O 3.33Å; Q225-Q245 HydrophobicContact CB-CB 4.24Å; Q225-Q245 HydrophobicContact CG-CB 3.89Å |
| 226 | N | 77 | Confident | 67 | Low | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 146 | 171.6 | -61 | -56.4 | 0 | 0 | 0 | 109.3 | P184 N206 N216 Q245 N246 | P184-N226 VanDerWaalsContact CB-C 3.46Å; P184-N226 HydrophobicContact CB-CB 3.68Å; P184-N226 WeakPolarHBondContact CB-O 3.25Å; P184-N226 HydrophobicContact CG-CB 3.89Å; N206-N226 PolarHBondContact ND2-OD1 3.45Å; N206-N226 CarbonylContact O-C 3.12Å; N216-N226 HydrophobicContact CB-CB 4.33Å; N226-Q245 PolarHBondContact N-O 2.62Å; N226-N246 PolarHBondContact ND2-OD1 2.72Å |
| 227 | Q | 76.1 | Confident | 67.2 | Low | 27 Ų | 27 | 44.5 Ų | 44.5 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 148.4 | 174.4 | -79.1 | -151.1 | 26.2 | 0 | 0 | 114.9 | V182 P183 V185 N206 Q207 A208 Q225 | V182-Q227 VanDerWaalsContact O-CD 3.26Å; V182-Q227 PolarHBondContact O-OE1 2.82Å; P183-Q227 VanDerWaalsContact CD-CD 3.46Å; P183-Q227 HydrophobicContact CG-CB 4.49Å; V185-Q227 WeakPolarHBondContact CG2-O 3.44Å; N206-Q227 PolarHBondContact O-N 2.82Å; N206-Q227 VanDerWaalsContact O-O 3.1Å; Q207-Q227 CarbonylContact C-O 3.41Å; Q207-Q227 VanDerWaalsContact CA-O 3.23Å; Q207-Q227 WeakPolarHBondContact CA-O 3.38Å; Q207-Q227 HydrophobicContact CG-CB 3.48Å; Q207-Q227 VanDerWaalsContact CG-CB 3.48Å; A208-Q227 PolarHBondContact N-O 2.93Å; Q225-Q227 HydrophobicContact CG-CG 4.26Å |
| 228 | A | 70.8 | Confident | 67.2 | Low | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 154.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | P183 P184 V185 A208 | P183-A228 WeakPolarHBondContact CB-O 3.46Å; P183-A228 WeakPolarHBondContact CG-O 3.35Å; P184-A228 VanDerWaalsContact CA-N 3.29Å; V185-A228 HydrophobicContact CB-CB 3.62Å; V185-A228 HydrophobicContact CG1-CB 3.62Å; V185-A228 HydrophobicContact CG2-CB 3.32Å; A208-A228 HydrophobicContact CB-CB 3.94Å; A208-A228 WeakPolarHBondContact O-CA 3.47Å; A208-A228 WeakPolarHBondContact O-CB 3.46Å |
| 229 | K | 67.3 | Low | 67.4 | Low | 73 Ų | 73 | 47 Ų | 47 | 32% | 0.317 | 24% | 0.244 | S | C | . | . | trans | -108.1 | -22.8 | -149.6 | -73.7 | 139.7 | 175.5 | 176.3 | 0 | 116.7 | P183 K249 | P183-K229 HydrophobicContact CG-CG 4.41Å; K229-K249 HydrophobicContact CG-CD 4.11Å | ||
| 230 | K | 61.1 | Low | 67.4 | Low | 127 Ų | 127 | 47.6 Ų | 47.6 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | trans | -157.3 | 137.7 | 176.2 | -64.1 | -174.4 | -179.6 | -175 | 0 | 111 | K250 | K230-K250 WeakPolarHBondContact CA-O 3.33Š| ||
| 231 | G | 58.1 | Low | 67.7 | Low | 16 Ų | 16 | 42.7 Ų | 42.7 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | trans | 159.5 | 149.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S187 G211 K250 G251 | S187-G231 WeakPolarHBondContact OG-CA 3.38Å; S187-G231 PolarHBondContact OG-O 2.83Å; G211-G231 VanDerWaalsContact O-CA 3.31Å; G211-G231 WeakPolarHBondContact O-CA 3.43Å; G231-K250 PolarHBondContact N-O 3.18Å; G231-G251 WeakPolarHBondContact O-CA 3.47Å | ||
| 232 | E | 61.2 | Low | 68.1 | Low | 122 Ų | 122 | 47.1 Ų | 47.1 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -84.5 | 142 | 175.7 | -68.5 | 162.2 | -153.4 | 0 | 0 | 112 | S187 G213 E252 | S187-E232 WeakPolarHBondContact CB-O 3.41Å; S187-E232 PolarHBondContact OG-N 3.41Å; S187-E232 VanDerWaalsContact OG-N 3.1Å; S187-E232 PolarHBondContact OG-O 2.99Å; G213-E232 PolarHBondContact N-O 3.46Å; E232-E252 HydrophobicContact CG-CB 4.45Å |
| 233 | G | 61.8 | Low | 68.4 | Low | 37 Ų | 37 | 44.2 Ų | 44.2 | 38% | 0.381 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 71.9 | 65.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G213 E252 | G213-G233 CarbonylContact C-O 3.58Å; G213-G233 WeakPolarHBondContact CA-O 3.41Å; G233-E252 PolarHBondContact N-O 3.19Å |
| 234 | A | 70.2 | Confident | 68.8 | Low | 5 Ų | 5 | 42.7 Ų | 42.7 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 82.7 | -154.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V185 N236 G253 A254 Q255 | V185-A234 CarbonylContact O-C 3.59Å; V185-A234 VanDerWaalsContact O-CA 3.31Å; V185-A234 WeakPolarHBondContact O-CA 3.36Å; A234-N236 PolarHBondContact O-ND2 3.12Å; A234-G253 PolarHBondContact N-O 3.12Å; A234-G253 VanDerWaalsContact N-O 3.09Å; A234-A254 HydrophobicContact CB-CB 3.85Å; A234-A254 CarbonylContact O-C 3.55Å; A234-A254 WeakPolarHBondContact O-CA 3.41Å; A234-Q255 PolarHBondContact O-N 3.46Å |
| 235 | Q | 75.6 | Confident | 69.3 | Low | 49 Ų | 49 | 44.3 Ų | 44.3 | 23% | 0.229 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130 | -171 | -163.4 | -175.6 | 88.7 | 0 | 0 | 115.8 | V185 A214 Q215 N216 Q255 | V185-Q235 CarbonylContact O-C 3.55Å; V185-Q235 PolarHBondContact O-N 3.39Å; A214-Q235 PolarHBondContact O-N 3.39Å; Q215-Q235 VanDerWaalsContact CA-O 3.28Å; Q215-Q235 WeakPolarHBondContact CA-O 3.49Å; N216-Q235 PolarHBondContact N-O 3.08Å; Q235-Q255 WeakPolarHBondContact CA-O 3.41Å; Q235-Q255 HydrophobicContact CG-CB 4.44Å |
| 236 | N | 79.2 | Confident | 69.6 | Low | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.8 | 178.1 | -57.9 | -79.1 | 0 | 0 | 0 | 111.9 | P184 V185 A234 N246 Q255 N256 Q257 | P184-N236 HydrophobicContact CB-CB 4.45Å; P184-N236 VanDerWaalsContact CB-OD1 3.3Å; P184-N236 WeakPolarHBondContact CB-OD1 3.35Å; P184-N236 HydrophobicContact CG-CB 3.84Å; P184-N236 WeakPolarHBondContact CG-ND2 3.49Å; V185-N236 WeakPolarHBondContact CB-OD1 3.37Å; V185-N236 WeakPolarHBondContact CG2-OD1 3.44Å; V185-N236 PolarHBondContact N-ND2 2.94Å; V185-N236 PolarHBondContact N-OD1 3.07Å; V185-N236 PolarHBondContact O-ND2 3.35Å; V185-N236 PolarHBondContact O-OD1 3.24Å; A234-N236 PolarHBondContact O-ND2 3.12Å; N236-N246 HydrophobicContact CB-CB 4.38Å; N236-Q255 PolarHBondContact N-O 3.03Å; N236-N256 PolarHBondContact ND2-OD1 3.35Å; N236-N256 VanDerWaalsContact ND2-OD1 3.13Å; N236-Q257 PolarHBondContact O-N 3.47Å |
| 237 | Q | 77.7 | Confident | 69.6 | Low | 19 Ų | 19 | 42.5 Ų | 42.5 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 116 | -177.4 | -54.1 | -165.5 | 31.6 | 0 | 0 | 113.5 | N216 Q217 G218 Q257 | N216-Q237 PolarHBondContact O-N 2.91Å; Q217-Q237 WeakPolarHBondContact CA-O 3.34Å; Q217-Q237 HydrophobicContact CG-CB 4.49Å; G218-Q237 PolarHBondContact N-O 3.49Å; Q237-Q257 WeakPolarHBondContact CA-O 3.33Å; Q237-Q257 HydrophobicContact CG-CB 4.29Å |
| 238 | A | 73.1 | Confident | 69.5 | Low | 5 Ų | 5 | 41.4 Ų | 41.4 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A244 Q257 K259 | A238-A244 HydrophobicContact CB-CB 3.75Å; A238-Q257 PolarHBondContact N-O 2.96Å; A238-K259 WeakPolarHBondContact O-CB 3.45Å; A238-K259 PolarHBondContact O-N 3.09Å |
| 239 | K | 68.8 | Low | 69.4 | Low | 79 Ų | 79 | 45.3 Ų | 45.3 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | trans | -109.5 | -27.1 | -171.7 | -79.2 | 176.5 | 165.4 | 173.2 | 0 | 116.4 | Q217 G218 K259 | Q217-K239 VanDerWaalsContact OE1-CE 3.31Å; G218-K239 WeakPolarHBondContact O-CB 3.36Å; G218-K239 PolarHBondContact O-N 3.05Å; K239-K259 CarbonylContact C-O 3.59Å; K239-K259 VanDerWaalsContact O-O 3.04Å | ||
| 240 | K | 62.4 | Low | 69.2 | Low | 113 Ų | 113 | 47.7 Ų | 47.7 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -162 | 129.3 | 172.2 | -89.7 | -160.3 | 174 | -164.4 | 0 | 109.8 | K220 G221 K260 | K220-K240 WeakPolarHBondContact CA-O 3.39Å; K220-K240 HydrophobicContact CG-CB 4.29Å; G221-K240 PolarHBondContact N-O 3.15Å; K240-K260 WeakPolarHBondContact CA-O 3.44Å; K240-K260 HydrophobicContact CG-CB 4.38Å |
| 241 | G | 62.2 | Low | 69.2 | Low | 23 Ų | 23 | 42.9 Ų | 42.9 | 24% | 0.237 | 24% | 0.235 | C | C | . | . | trans | 146.4 | 152.8 | 169 | 0 | 0 | 0 | 0 | 0 | 114.1 | G221 K260 G261 | G221-G241 WeakPolarHBondContact O-CA 3.5Å; G241-K260 PolarHBondContact N-O 3.33Å; G241-G261 WeakPolarHBondContact O-CA 3.46Å | ||
| 242 | E | 63.5 | Low | 69.5 | Low | 111 Ų | 111 | 47.1 Ų | 47.1 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 151.1 | 175.3 | -68.3 | 168.2 | -149.1 | 0 | 0 | 111.8 | G223 A244 E262 | G223-E242 PolarHBondContact N-O 3.24Å; E242-A244 PolarHBondContact O-N 3.1Å; E242-E262 HydrophobicContact CG-CB 4.32Å |
| 243 | G | 65.2 | Low | 69.6 | Low | 37 Ų | 37 | 42.8 Ų | 42.8 | 38% | 0.381 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 16.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q245 E262 | G243-Q245 PolarHBondContact O-N 2.95Å; G243-E262 PolarHBondContact N-O 3.4Å |
| 244 | A | 71.6 | Confident | 70.1 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 5% | 0.05 | 23% | 0.226 | C | C | . | . | trans | -63.1 | 123.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A224 A238 E242 G264 Q265 | A224-A244 WeakPolarHBondContact O-CA 3.35Å; A238-A244 HydrophobicContact CB-CB 3.75Å; E242-A244 PolarHBondContact O-N 3.1Å; A244-G264 WeakPolarHBondContact O-CA 3.47Å; A244-Q265 PolarHBondContact O-N 3.26Å | ||
| 245 | Q | 77.5 | Confident | 70.5 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 19% | 0.192 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123 | -175.1 | -86.6 | -165.3 | -9.4 | 0 | 0 | 112.5 | A224 Q225 N226 G243 Q247 Q265 | A224-Q245 PolarHBondContact O-N 3.07Å; Q225-Q245 WeakPolarHBondContact CA-O 3.33Å; Q225-Q245 HydrophobicContact CB-CB 4.24Å; Q225-Q245 HydrophobicContact CG-CB 3.89Å; N226-Q245 PolarHBondContact N-O 2.62Å; G243-Q245 PolarHBondContact O-N 2.95Å; Q245-Q247 VanDerWaalsContact CD-NE2 3.33Å; Q245-Q265 HydrophobicContact CG-CB 4.22Å |
| 246 | N | 80.1 | Confident | 70.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 132.4 | 164.3 | -44.7 | -74.6 | 0 | 0 | 0 | 108.5 | P184 N226 N236 N256 Q265 N266 Q267 | P184-N246 HydrophobicContact CG-CB 3.74Å; N226-N246 PolarHBondContact ND2-OD1 2.72Å; N236-N246 HydrophobicContact CB-CB 4.38Å; N246-N256 HydrophobicContact CB-CB 4.04Å; N246-Q265 PolarHBondContact N-O 3.16Å; N246-N266 PolarHBondContact ND2-OD1 3.38Å; N246-N266 CarbonylContact O-C 3.19Å; N246-N266 VanDerWaalsContact O-C 3.29Å; N246-N266 WeakPolarHBondContact O-CA 3.4Å; N246-Q267 PolarHBondContact O-N 3.26Å |
| 247 | Q | 78.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -118.7 | -118.7 | 174.7 | -57.4 | 110.5 | 22.6 | 0 | 0 | 116 | A181 V182 P183 P184 Q245 N256 Q267 A268 | A181-Q247 VanDerWaalsContact CB-CD 3.46Å; A181-Q247 HydrophobicContact CB-CG 4.22Å; V182-Q247 VanDerWaalsContact CA-CB 3.45Å; V182-Q247 HydrophobicContact CG1-CB 4.31Å; P183-Q247 VanDerWaalsContact C-CA 3.45Å; P183-Q247 VanDerWaalsContact C-N 3.27Å; P183-Q247 WeakPolarHBondContact O-CA 3.49Å; P183-Q247 VanDerWaalsContact O-CB 3.3Å; P183-Q247 WeakPolarHBondContact O-CB 3.11Å; P183-Q247 PolarHBondContact O-N 3.27Å; P183-Q247 PolarHBondContact O-OE1 3.39Å; P184-Q247 WeakPolarHBondContact CD-O 3.4Å; P184-Q247 VanDerWaalsContact N-C 3.31Å; Q245-Q247 VanDerWaalsContact CD-NE2 3.33Å; Q247-N256 PolarHBondContact O-ND2 3.44Å; Q247-Q267 CarbonylContact C-O 3.56Å; Q247-Q267 VanDerWaalsContact CA-C 3.47Å; Q247-Q267 WeakPolarHBondContact CA-O 3.33Å; Q247-Q267 HydrophobicContact CB-CB 3.66Å; Q247-Q267 VanDerWaalsContact CB-O 3.32Å; Q247-Q267 WeakPolarHBondContact CB-O 3.37Å; Q247-Q267 HydrophobicContact CG-CB 3.46Å; Q247-Q267 VanDerWaalsContact CG-CB 3.46Å; Q247-Q267 CarbonylContact O-C 3.54Å; Q247-A268 PolarHBondContact O-N 3.48Å | ||
| 248 | G | 72.1 | Confident | 70.8 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | trans | 161 | 139.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V182 Q267 K269 | V182-G248 WeakPolarHBondContact CG1-O 3.45Å; G248-Q267 PolarHBondContact N-O 3.03Å; G248-Q267 VanDerWaalsContact N-O 3.1Å; G248-K269 WeakPolarHBondContact O-CB 3.47Å; G248-K269 PolarHBondContact O-N 3.24Å | ||
| 249 | K | 69 | Low | 70.7 | Confident | 82 Ų | 82 | 44.6 Ų | 44.6 | 36% | 0.357 | 24% | 0.239 | S | C | . | . | trans | -111.7 | -46.3 | -170 | -106.5 | -177.1 | -159.9 | 176.7 | 0 | 115.5 | V182 P183 K229 K269 | V182-K249 HydrophobicContact CB-CD 4.35Å; V182-K249 HydrophobicContact CB-CG 3.9Å; V182-K249 HydrophobicContact CG1-CG 3.89Å; V182-K249 VanDerWaalsContact CG2-CE 3.43Å; V182-K249 HydrophobicContact CG2-CG 4.47Å; P183-K249 HydrophobicContact CB-CB 3.74Å; P183-K249 HydrophobicContact CB-CD 4.37Å; P183-K249 HydrophobicContact CB-CG 3.85Å; P183-K249 HydrophobicContact CG-CB 3.83Å; P183-K249 HydrophobicContact CG-CD 3.54Å; P183-K249 HydrophobicContact CG-CG 3.59Å; K229-K249 HydrophobicContact CG-CD 4.11Å; K249-K269 CarbonylContact C-O 3.6Å; K249-K269 VanDerWaalsContact O-O 3.09Å | ||
| 250 | K | 64.1 | Low | 70.5 | Confident | 124 Ų | 124 | 46.4 Ų | 46.4 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -159.9 | 128.6 | 179.5 | -66.4 | -167.9 | 179.5 | -173 | 0 | 109.6 | K230 G231 K270 | K230-K250 WeakPolarHBondContact CA-O 3.33Å; G231-K250 PolarHBondContact N-O 3.18Å; K250-K270 WeakPolarHBondContact CA-O 3.48Å |
| 251 | G | 61.7 | Low | 70.6 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 26% | 0.258 | 24% | 0.236 | S | C | . | . | trans | 140.2 | 152.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G231 K270 G271 | G231-G251 WeakPolarHBondContact O-CA 3.47Å; G251-K270 PolarHBondContact N-O 2.91Å; G251-G271 WeakPolarHBondContact O-CA 3.44Å | ||
| 252 | E | 63.1 | Low | 70.7 | Confident | 105 Ų | 105 | 46.2 Ų | 46.2 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 151.5 | 179.6 | -64.5 | 170.8 | -152.8 | 0 | 0 | 112.1 | E232 G233 A254 E272 | E232-E252 HydrophobicContact CG-CB 4.45Å; G233-E252 PolarHBondContact N-O 3.19Å; E252-A254 PolarHBondContact O-N 3.12Å; E252-E272 HydrophobicContact CG-CB 4.42Å |
| 253 | G | 64.3 | Low | 70.7 | Confident | 32 Ų | 32 | 42.4 Ų | 42.4 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 30.2 | 170 | 0 | 0 | 0 | 0 | 0 | 115.4 | A234 Q255 E272 | A234-G253 PolarHBondContact N-O 3.12Å; A234-G253 VanDerWaalsContact N-O 3.09Å; G253-Q255 PolarHBondContact O-N 3.31Å; G253-E272 PolarHBondContact N-O 3.19Å |
| 254 | A | 72 | Confident | 71 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 114.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | A234 E252 A274 Q275 | A234-A254 HydrophobicContact CB-CB 3.85Å; A234-A254 CarbonylContact O-C 3.55Å; A234-A254 WeakPolarHBondContact O-CA 3.41Å; E252-A254 PolarHBondContact O-N 3.12Å; A254-A274 CarbonylContact O-C 3.5Å; A254-A274 WeakPolarHBondContact O-CA 3.33Å; A254-Q275 PolarHBondContact O-N 2.99Å |
| 255 | Q | 79.3 | Confident | 71.4 | Confident | 49 Ų | 49 | 42 Ų | 42 | 23% | 0.229 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 90.6 | -173.3 | -168.3 | -175.7 | 85.5 | 0 | 0 | 113.1 | A234 Q235 N236 G253 Q275 | A234-Q255 PolarHBondContact O-N 3.46Å; Q235-Q255 WeakPolarHBondContact CA-O 3.41Å; Q235-Q255 HydrophobicContact CG-CB 4.44Å; N236-Q255 PolarHBondContact N-O 3.03Å; G253-Q255 PolarHBondContact O-N 3.31Å; Q255-Q275 CarbonylContact C-O 3.58Å; Q255-Q275 VanDerWaalsContact CA-O 3.23Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CB-CB 4.42Å; Q255-Q275 HydrophobicContact CG-CB 4.07Å |
| 256 | N | 81.8 | Confident | 71.7 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 138 | 177.5 | -62.2 | -55.6 | 0 | 0 | 0 | 112.7 | P184 N236 N246 Q247 N266 Q275 N276 Q277 | P184-N256 WeakPolarHBondContact CD-OD1 3.37Å; N236-N256 PolarHBondContact ND2-OD1 3.35Å; N236-N256 VanDerWaalsContact ND2-OD1 3.13Å; N246-N256 HydrophobicContact CB-CB 4.04Å; Q247-N256 PolarHBondContact O-ND2 3.44Å; N256-N266 HydrophobicContact CB-CB 3.96Å; N256-Q275 PolarHBondContact N-O 3.04Å; N256-N276 PolarHBondContact ND2-OD1 3.02Å; N256-Q277 PolarHBondContact O-N 3.31Å |
| 257 | Q | 80.8 | Confident | 71.8 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 7% | 0.065 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 121.3 | 176.2 | -80.8 | 178.6 | 70.2 | 0 | 0 | 112.8 | N236 Q237 A238 K259 Q277 | N236-Q257 PolarHBondContact O-N 3.47Å; Q237-Q257 WeakPolarHBondContact CA-O 3.33Å; Q237-Q257 HydrophobicContact CG-CB 4.29Å; A238-Q257 PolarHBondContact N-O 2.96Å; Q257-K259 VanDerWaalsContact OE1-CE 3.31Å; Q257-Q277 WeakPolarHBondContact CA-O 3.48Å; Q257-Q277 HydrophobicContact CG-CB 3.82Å |
| 258 | A | 74.6 | Confident | 71.6 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 127.3 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q277 K279 | A258-Q277 PolarHBondContact N-O 3.27Å; A258-K279 PolarHBondContact O-N 2.97Å |
| 259 | K | 72.4 | Confident | 71.7 | Confident | 65 Ų | 65 | 43.3 Ų | 43.3 | 28% | 0.283 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.7 | 177.7 | -60.8 | 166.5 | 177 | 174.4 | 0 | 109.2 | A238 K239 Q257 K279 | A238-K259 WeakPolarHBondContact O-CB 3.45Å; A238-K259 PolarHBondContact O-N 3.09Å; K239-K259 CarbonylContact C-O 3.59Å; K239-K259 VanDerWaalsContact O-O 3.04Å; Q257-K259 VanDerWaalsContact OE1-CE 3.31Å; K259-K279 WeakPolarHBondContact CA-O 3.34Å; K259-K279 HydrophobicContact CG-CB 4.29Å; K259-K279 HydrophobicContact CG-CD 4.23Å |
| 260 | K | 64.7 | Low | 71.6 | Confident | 117 Ų | 117 | 45.2 Ų | 45.2 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 54 | 86.1 | 175.4 | -71.7 | -166.2 | 172.9 | -168.1 | 0 | 115.2 | K240 G241 K279 K280 | K240-K260 WeakPolarHBondContact CA-O 3.44Å; K240-K260 HydrophobicContact CG-CB 4.38Å; G241-K260 PolarHBondContact N-O 3.33Å; K260-K279 PolarHBondContact N-O 3.33Å; K260-K280 WeakPolarHBondContact CA-O 3.43Å; K260-K280 HydrophobicContact CG-CB 4.45Å; K260-K280 PolarHBondContact N-O 3.38Å |
| 261 | G | 63.6 | Low | 71.6 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | trans | 169.2 | 159.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G241 K280 G281 | G241-G261 WeakPolarHBondContact O-CA 3.46Å; G261-K280 PolarHBondContact N-O 2.99Å; G261-G281 WeakPolarHBondContact O-CA 3.3Å | ||
| 262 | E | 63.9 | Low | 71.7 | Confident | 106 Ų | 106 | 44.1 Ų | 44.1 | 50% | 0.495 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -85.3 | 152.1 | 179.2 | -56.5 | -175.7 | -169.2 | 0 | 0 | 111.6 | E242 G243 G264 E282 | E242-E262 HydrophobicContact CG-CB 4.32Å; G243-E262 PolarHBondContact N-O 3.4Å; E262-G264 VanDerWaalsContact C-N 3.26Å; E262-G264 PolarHBondContact O-N 3.49Å; E262-E282 HydrophobicContact CG-CB 4.33Å |
| 263 | G | 64.4 | Low | 71.8 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 32% | 0.32 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 68.8 | 16.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q265 E282 | G263-Q265 PolarHBondContact O-N 3.46Å; G263-E282 PolarHBondContact N-O 3.36Å |
| 264 | G | 71.3 | Confident | 72.3 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | trans | -64.9 | 117.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | A244 E262 A284 Q285 | A244-G264 WeakPolarHBondContact O-CA 3.47Å; E262-G264 VanDerWaalsContact C-N 3.26Å; E262-G264 PolarHBondContact O-N 3.49Å; G264-A284 WeakPolarHBondContact O-CA 3.38Å; G264-Q285 PolarHBondContact O-N 3.03Å | ||
| 265 | Q | 80.8 | Confident | 72.7 | Confident | 31 Ų | 31 | 42 Ų | 42 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.7 | -176.1 | -74.4 | 169.4 | 6.1 | 0 | 0 | 112.1 | A244 Q245 N246 G263 Q285 | A244-Q265 PolarHBondContact O-N 3.26Å; Q245-Q265 HydrophobicContact CG-CB 4.22Å; N246-Q265 PolarHBondContact N-O 3.16Å; G263-Q265 PolarHBondContact O-N 3.46Å; Q265-Q285 CarbonylContact C-O 2.77Å; Q265-Q285 WeakPolarHBondContact CA-O 3.33Å; Q265-Q285 HydrophobicContact CG-CB 4.13Å |
| 266 | N | 83.2 | Confident | 73 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.4 | 175.1 | -60.2 | -55 | 0 | 0 | 0 | 110 | N246 N256 N276 Q285 N286 Q287 | N246-N266 PolarHBondContact ND2-OD1 3.38Å; N246-N266 CarbonylContact O-C 3.19Å; N246-N266 VanDerWaalsContact O-C 3.29Å; N246-N266 WeakPolarHBondContact O-CA 3.4Å; N256-N266 HydrophobicContact CB-CB 3.96Å; N266-N276 HydrophobicContact CB-CB 3.79Å; N266-Q285 PolarHBondContact N-O 3.33Å; N266-N286 WeakPolarHBondContact CB-OD1 3.45Å; N266-N286 PolarHBondContact ND2-OD1 3.18Å; N266-N286 CarbonylContact O-C 3.12Å; N266-N286 VanDerWaalsContact O-CA 3.28Å; N266-N286 WeakPolarHBondContact O-CA 3.43Å; N266-Q287 PolarHBondContact O-N 2.99Å |
| 267 | Q | 81.7 | Confident | 73 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | trans | -148.9 | 65.8 | -162.7 | -137.5 | -159.7 | 105.2 | 0 | 0 | 117.2 | V180 A181 N246 Q247 G248 K269 Q287 K289 | V180-Q267 PolarHBondContact O-NE2 3.3Å; V180-Q267 PolarHBondContact O-OE1 3.08Å; A181-Q267 PolarHBondContact O-OE1 3.09Å; N246-Q267 PolarHBondContact O-N 3.26Å; Q247-Q267 CarbonylContact C-O 3.56Å; Q247-Q267 VanDerWaalsContact CA-C 3.47Å; Q247-Q267 WeakPolarHBondContact CA-O 3.33Å; Q247-Q267 HydrophobicContact CB-CB 3.66Å; Q247-Q267 VanDerWaalsContact CB-O 3.32Å; Q247-Q267 WeakPolarHBondContact CB-O 3.37Å; Q247-Q267 HydrophobicContact CG-CB 3.46Å; Q247-Q267 VanDerWaalsContact CG-CB 3.46Å; Q247-Q267 CarbonylContact O-C 3.54Å; G248-Q267 PolarHBondContact N-O 3.03Å; G248-Q267 VanDerWaalsContact N-O 3.1Å; Q267-K269 VanDerWaalsContact OE1-CE 3.28Å; Q267-Q287 CarbonylContact C-O 3.56Å; Q267-Q287 VanDerWaalsContact CA-O 3.29Å; Q267-Q287 WeakPolarHBondContact CA-O 3.45Å; Q267-Q287 HydrophobicContact CG-CB 3.77Å; Q267-Q287 HydrophobicContact CG-CG 4.34Å; Q267-K289 VanDerWaalsContact CD-NZ 3.33Å | ||
| 268 | A | 74.7 | Confident | 72.7 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | trans | -64.8 | 134.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q247 A274 Q287 K289 | Q247-A268 PolarHBondContact O-N 3.48Å; A268-A274 HydrophobicContact CB-CB 3.7Å; A268-Q287 PolarHBondContact N-O 3.46Å; A268-Q287 VanDerWaalsContact N-O 3.12Å; A268-K289 PolarHBondContact O-N 2.93Å | ||
| 269 | K | 73.6 | Confident | 72.6 | Confident | 61 Ų | 61 | 42.5 Ų | 42.5 | 27% | 0.265 | 23% | 0.227 | S | C | . | . | B | Isolated β-bridge | trans | -126.5 | 138.5 | 169.4 | -46.1 | -164.8 | -174.1 | 147.8 | 0 | 110.8 | A181 V182 G248 K249 Q267 K289 | A181-K269 WeakPolarHBondContact O-CE 3.27Å; A181-K269 PolarHBondContact O-NZ 3.49Å; V182-K269 HydrophobicContact CG1-CB 4.43Å; V182-K269 HydrophobicContact CG1-CD 3.49Å; V182-K269 VanDerWaalsContact CG1-CD 3.49Å; V182-K269 VanDerWaalsContact CG1-CE 3.46Å; V182-K269 HydrophobicContact CG1-CG 3.74Å; G248-K269 WeakPolarHBondContact O-CB 3.47Å; G248-K269 PolarHBondContact O-N 3.24Å; K249-K269 CarbonylContact C-O 3.6Å; K249-K269 VanDerWaalsContact O-O 3.09Å; Q267-K269 VanDerWaalsContact OE1-CE 3.28Å; K269-K289 VanDerWaalsContact CA-O 3.32Å; K269-K289 WeakPolarHBondContact CA-O 3.33Å; K269-K289 HydrophobicContact CB-CB 4.33Å; K269-K289 HydrophobicContact CD-CD 4.04Å; K269-K289 HydrophobicContact CG-CB 4.04Å; K269-K289 HydrophobicContact CG-CD 4.07Å |
| 270 | K | 67.2 | Low | 72.2 | Confident | 123 Ų | 123 | 45.2 Ų | 45.2 | 54% | 0.535 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 52.1 | 86 | 176.3 | -74.5 | -161.9 | 169.8 | -159.3 | 0 | 115 | K250 G251 K289 K290 | K250-K270 WeakPolarHBondContact CA-O 3.48Å; G251-K270 PolarHBondContact N-O 2.91Å; K270-K289 PolarHBondContact N-O 2.97Å; K270-K290 WeakPolarHBondContact CA-O 3.23Å; K270-K290 HydrophobicContact CG-CB 4.43Å; K270-K290 PolarHBondContact N-O 2.95Å |
| 271 | G | 64.1 | Low | 72.2 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | trans | 171.2 | 153.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112 | G251 K290 | G251-G271 WeakPolarHBondContact O-CA 3.44Å; G271-K290 PolarHBondContact N-O 3.48Å | ||
| 272 | E | 65.2 | Low | 72.2 | Confident | 103 Ų | 103 | 42.5 Ų | 42.5 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 154.7 | 177 | -65 | 170.4 | -149.9 | 0 | 0 | 111.4 | E252 G253 A274 E292 | E252-E272 HydrophobicContact CG-CB 4.42Å; G253-E272 PolarHBondContact N-O 3.19Å; E272-A274 VanDerWaalsContact C-N 3.25Å; E272-A274 PolarHBondContact O-N 3.21Å; E272-A274 VanDerWaalsContact O-N 3.16Å; E272-E292 HydrophobicContact CG-CB 4.32Å |
| 273 | G | 65.2 | Low | 72.4 | Confident | 36 Ų | 36 | 37.9 Ų | 37.9 | 37% | 0.371 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 17.4 | 172 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q275 E292 | G273-Q275 PolarHBondContact O-N 3.36Å; G273-E292 PolarHBondContact N-O 3.35Å |
| 274 | A | 74 | Confident | 72.8 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | trans | -64.1 | 121.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | A254 A268 E272 A294 Q295 | A254-A274 CarbonylContact O-C 3.5Å; A254-A274 WeakPolarHBondContact O-CA 3.33Å; A268-A274 HydrophobicContact CB-CB 3.7Å; E272-A274 VanDerWaalsContact C-N 3.25Å; E272-A274 PolarHBondContact O-N 3.21Å; E272-A274 VanDerWaalsContact O-N 3.16Å; A274-A294 CarbonylContact O-C 3.55Å; A274-A294 WeakPolarHBondContact O-CA 3.37Å; A274-Q295 PolarHBondContact O-N 3.46Å | ||
| 275 | Q | 81.3 | Confident | 73.3 | Confident | 63 Ų | 63 | 37.3 Ų | 37.3 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 120.8 | 180 | -70 | -172.2 | 0.8 | 0 | 0 | 112.6 | A254 Q255 N256 G273 Q295 | A254-Q275 PolarHBondContact O-N 2.99Å; Q255-Q275 CarbonylContact C-O 3.58Å; Q255-Q275 VanDerWaalsContact CA-O 3.23Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CB-CB 4.42Å; Q255-Q275 HydrophobicContact CG-CB 4.07Å; N256-Q275 PolarHBondContact N-O 3.04Å; G273-Q275 PolarHBondContact O-N 3.36Å; Q275-Q295 VanDerWaalsContact CA-O 3.31Å; Q275-Q295 WeakPolarHBondContact CA-O 3.29Å; Q275-Q295 HydrophobicContact CG-CB 4.43Å |
| 276 | N | 84.3 | Confident | 73.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.4 | 173.2 | -61.9 | -60.8 | 0 | 0 | 0 | 110.6 | N256 N266 N286 Q295 N296 Q297 | N256-N276 PolarHBondContact ND2-OD1 3.02Å; N266-N276 HydrophobicContact CB-CB 3.79Å; N276-N286 HydrophobicContact CB-CB 3.78Å; N276-Q295 PolarHBondContact N-O 3.39Å; N276-N296 WeakPolarHBondContact CB-OD1 3.27Å; N276-N296 PolarHBondContact ND2-OD1 2.99Å; N276-Q297 PolarHBondContact O-N 2.92Å |
| 277 | Q | 82 | Confident | 73.4 | Confident | 20 Ų | 20 | 36 Ų | 36 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 106.5 | -175.9 | -81.3 | -170 | 65.3 | 0 | 0 | 114 | N256 Q257 A258 Q297 | N256-Q277 PolarHBondContact O-N 3.31Å; Q257-Q277 WeakPolarHBondContact CA-O 3.48Å; Q257-Q277 HydrophobicContact CG-CB 3.82Å; A258-Q277 PolarHBondContact N-O 3.27Å; Q277-Q297 VanDerWaalsContact CA-O 3.3Å; Q277-Q297 WeakPolarHBondContact CA-O 3.3Å; Q277-Q297 HydrophobicContact CG-CB 4.3Å |
| 278 | G | 74.1 | Confident | 73.1 | Confident | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 134.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q297 K299 | G278-Q297 PolarHBondContact N-O 2.93Å; G278-K299 PolarHBondContact O-N 3.04Å |
| 279 | K | 72.8 | Confident | 73 | Confident | 63 Ų | 63 | 38 Ų | 38 | 27% | 0.274 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 107.1 | -176.8 | -66.8 | 175.1 | -179.8 | 174.7 | 0 | 112.2 | A258 K259 K260 K299 | A258-K279 PolarHBondContact O-N 2.97Å; K259-K279 WeakPolarHBondContact CA-O 3.34Å; K259-K279 HydrophobicContact CG-CB 4.29Å; K259-K279 HydrophobicContact CG-CD 4.23Å; K260-K279 PolarHBondContact N-O 3.33Å; K279-K299 WeakPolarHBondContact CA-O 3.41Å; K279-K299 HydrophobicContact CG-CB 4.5Å; K279-K299 HydrophobicContact CG-CD 4.39Å |
| 280 | K | 64.8 | Low | 72.7 | Confident | 122 Ų | 122 | 40.9 Ų | 40.9 | 53% | 0.53 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 58 | 93.6 | -176.5 | -65.8 | -171.4 | 175.1 | -170.3 | 0 | 113.2 | K260 G261 K299 K300 | K260-K280 WeakPolarHBondContact CA-O 3.43Å; K260-K280 HydrophobicContact CG-CB 4.45Å; K260-K280 PolarHBondContact N-O 3.38Å; G261-K280 PolarHBondContact N-O 2.99Å; K280-K299 PolarHBondContact N-O 3.42Å; K280-K300 WeakPolarHBondContact CA-O 3.22Å; K280-K300 HydrophobicContact CG-CB 4.14Å; K280-K300 HydrophobicContact CG-CD 4.41Å; K280-K300 PolarHBondContact N-O 3.42Å |
| 281 | G | 63.7 | Low | 72.6 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | trans | 165.3 | 150.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G261 K300 G301 | G261-G281 WeakPolarHBondContact O-CA 3.3Å; G281-K300 PolarHBondContact N-O 3.45Å; G281-K300 VanDerWaalsContact N-O 3.17Å; G281-G301 WeakPolarHBondContact O-CA 3.39Å | ||
| 282 | E | 65.2 | Low | 72.6 | Confident | 65 Ų | 65 | 39.8 Ų | 39.8 | 30% | 0.304 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 152.7 | 176.9 | -77.6 | -156.5 | -128 | 0 | 0 | 113.5 | K175 E262 G263 A284 E302 | K175-E282 IonicContact NZ-OE2 2.89Å; K175-E282 PolarHBondContact NZ-OE2 2.57Å; E262-E282 HydrophobicContact CG-CB 4.33Å; G263-E282 PolarHBondContact N-O 3.36Å; E282-A284 PolarHBondContact O-N 3.08Å; E282-A284 VanDerWaalsContact O-N 3.17Å; E282-E302 HydrophobicContact CG-CB 4.34Å |
| 283 | G | 66.5 | Low | 72.6 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 9% | 0.093 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 24.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q285 E302 | G283-Q285 WeakPolarHBondContact O-CG 3.42Å; G283-Q285 PolarHBondContact O-N 3.08Å; G283-E302 PolarHBondContact N-O 2.9Å |
| 284 | A | 73.9 | Confident | 73.1 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 8% | 0.083 | 19% | 0.19 | C | C | . | . | trans | -68.9 | 115.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G264 E282 A304 Q305 | G264-A284 WeakPolarHBondContact O-CA 3.38Å; E282-A284 PolarHBondContact O-N 3.08Å; E282-A284 VanDerWaalsContact O-N 3.17Å; A284-A304 HydrophobicContact CB-CB 4.23Å; A284-A304 CarbonylContact O-C 3.57Å; A284-A304 WeakPolarHBondContact O-CA 3.42Å; A284-Q305 PolarHBondContact O-N 2.96Å | ||
| 285 | Q | 81.9 | Confident | 73.5 | Confident | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121.2 | -169.3 | -74.3 | 164 | -3.6 | 0 | 0 | 111.7 | E176 V177 G264 Q265 N266 G283 | E176-Q285 HydrophobicContact CG-CG 3.72Å; V177-Q285 VanDerWaalsContact N-NE2 3.2Å; G264-Q285 PolarHBondContact O-N 3.03Å; Q265-Q285 CarbonylContact C-O 2.77Å; Q265-Q285 WeakPolarHBondContact CA-O 3.33Å; Q265-Q285 HydrophobicContact CG-CB 4.13Å; N266-Q285 PolarHBondContact N-O 3.33Å; G283-Q285 WeakPolarHBondContact O-CG 3.42Å; G283-Q285 PolarHBondContact O-N 3.08Å |
| 286 | N | 84 | Confident | 73.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.3 | -177.9 | -53.4 | -69.1 | 0 | 0 | 0 | 110.3 | N266 N276 N296 Q305 N306 Q307 | N266-N286 WeakPolarHBondContact CB-OD1 3.45Å; N266-N286 PolarHBondContact ND2-OD1 3.18Å; N266-N286 CarbonylContact O-C 3.12Å; N266-N286 VanDerWaalsContact O-CA 3.28Å; N266-N286 WeakPolarHBondContact O-CA 3.43Å; N276-N286 HydrophobicContact CB-CB 3.78Å; N286-N296 HydrophobicContact CB-CB 3.85Å; N286-Q305 PolarHBondContact N-O 2.93Å; N286-Q305 PolarHBondContact ND2-O 2.91Å; N286-N306 PolarHBondContact ND2-OD1 3.26Å; N286-N306 CarbonylContact O-C 3.43Å; N286-N306 WeakPolarHBondContact O-CA 3.21Å; N286-Q307 PolarHBondContact O-N 3.47Å |
| 287 | Q | 82.2 | Confident | 73.5 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126 | 175.6 | -49.8 | -173.5 | 7 | 0 | 0 | 112.7 | E176 P178 N266 Q267 A268 Q307 | E176-Q287 PolarHBondContact OE1-NE2 3.44Å; P178-Q287 PolarHBondContact O-NE2 3.03Å; N266-Q287 PolarHBondContact O-N 2.99Å; Q267-Q287 CarbonylContact C-O 3.56Å; Q267-Q287 VanDerWaalsContact CA-O 3.29Å; Q267-Q287 WeakPolarHBondContact CA-O 3.45Å; Q267-Q287 HydrophobicContact CG-CB 3.77Å; Q267-Q287 HydrophobicContact CG-CG 4.34Å; A268-Q287 PolarHBondContact N-O 3.46Å; A268-Q287 VanDerWaalsContact N-O 3.12Å; Q287-Q307 CarbonylContact C-O 3.6Å; Q287-Q307 VanDerWaalsContact CA-O 3.27Å; Q287-Q307 WeakPolarHBondContact CA-O 3.31Å; Q287-Q307 HydrophobicContact CB-CB 4.44Å; Q287-Q307 HydrophobicContact CG-CB 4.02Å |
| 288 | G | 73.8 | Confident | 73.3 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q307 K309 | G288-Q307 PolarHBondContact N-O 3.49Å; G288-K309 PolarHBondContact O-N 3.11Å |
| 289 | K | 73.6 | Confident | 73.3 | Confident | 46 Ų | 46 | 37.6 Ų | 37.6 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 106.9 | -173.9 | -66.6 | 169.8 | -179.2 | 172.5 | 0 | 111.9 | Q267 A268 K269 K270 K309 | Q267-K289 VanDerWaalsContact CD-NZ 3.33Å; A268-K289 PolarHBondContact O-N 2.93Å; K269-K289 VanDerWaalsContact CA-O 3.32Å; K269-K289 WeakPolarHBondContact CA-O 3.33Å; K269-K289 HydrophobicContact CB-CB 4.33Å; K269-K289 HydrophobicContact CD-CD 4.04Å; K269-K289 HydrophobicContact CG-CB 4.04Å; K269-K289 HydrophobicContact CG-CD 4.07Å; K270-K289 PolarHBondContact N-O 2.97Å; K289-K309 HydrophobicContact CG-CB 4.37Å; K289-K309 HydrophobicContact CG-CD 4.25Å |
| 290 | K | 67.3 | Low | 73 | Confident | 122 Ų | 122 | 40.2 Ų | 40.2 | 53% | 0.53 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 59.9 | 100.9 | -174.7 | -62.2 | -172 | 175.8 | -170.7 | 0 | 113.5 | K270 G271 K309 K310 | K270-K290 WeakPolarHBondContact CA-O 3.23Å; K270-K290 HydrophobicContact CG-CB 4.43Å; K270-K290 PolarHBondContact N-O 2.95Å; G271-K290 PolarHBondContact N-O 3.48Å; K290-K309 PolarHBondContact N-O 2.65Å; K290-K310 WeakPolarHBondContact CA-O 3.38Å; K290-K310 HydrophobicContact CG-CB 4.29Å; K290-K310 PolarHBondContact N-O 2.96Å |
| 291 | G | 64.4 | Low | 72.9 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 24% | 0.237 | 19% | 0.194 | C | C | . | . | trans | 158.5 | 153.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | K310 G311 | G291-K310 PolarHBondContact N-O 3.31Å; G291-G311 WeakPolarHBondContact O-CA 3.49Å | ||
| 292 | E | 65.2 | Low | 73.1 | Confident | 99 Ų | 99 | 38.3 Ų | 38.3 | 46% | 0.463 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 155 | -179.3 | -63.6 | 172.8 | -149.2 | 0 | 0 | 112 | E272 G273 A294 E312 | E272-E292 HydrophobicContact CG-CB 4.32Å; G273-E292 PolarHBondContact N-O 3.35Å; E292-A294 PolarHBondContact O-N 3.47Å; E292-A294 VanDerWaalsContact O-N 3.16Å; E292-E312 HydrophobicContact CG-CB 4.37Å |
| 293 | G | 65.5 | Low | 73.1 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 37% | 0.371 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 16.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q295 E312 | G293-Q295 PolarHBondContact O-N 3.2Å; G293-Q295 VanDerWaalsContact O-N 3.11Å; G293-E312 PolarHBondContact N-O 3.04Å |
| 294 | A | 74 | Confident | 73.5 | Confident | 9 Ų | 9 | 35 Ų | 35 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | trans | -60 | 113.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A274 E292 Q315 | A274-A294 CarbonylContact O-C 3.55Å; A274-A294 WeakPolarHBondContact O-CA 3.37Å; E292-A294 PolarHBondContact O-N 3.47Å; E292-A294 VanDerWaalsContact O-N 3.16Å; A294-Q315 PolarHBondContact O-N 3.2Å | ||
| 295 | Q | 82.5 | Confident | 73.9 | Confident | 44 Ų | 44 | 34.6 Ų | 34.6 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 106.9 | -174.5 | -170.8 | -174.3 | 95.6 | 0 | 0 | 112.5 | A274 Q275 N276 G293 Q297 Q315 | A274-Q295 PolarHBondContact O-N 3.46Å; Q275-Q295 VanDerWaalsContact CA-O 3.31Å; Q275-Q295 WeakPolarHBondContact CA-O 3.29Å; Q275-Q295 HydrophobicContact CG-CB 4.43Å; N276-Q295 PolarHBondContact N-O 3.39Å; G293-Q295 PolarHBondContact O-N 3.2Å; G293-Q295 VanDerWaalsContact O-N 3.11Å; Q295-Q297 HydrophobicContact CG-CG 4.43Å; Q295-Q315 CarbonylContact C-O 3.55Å; Q295-Q315 VanDerWaalsContact CA-O 3.29Å; Q295-Q315 WeakPolarHBondContact CA-O 3.33Å; Q295-Q315 HydrophobicContact CB-CB 4.36Å; Q295-Q315 HydrophobicContact CG-CB 3.98Å |
| 296 | N | 84.3 | Confident | 74 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.3 | 177.9 | -57.8 | -58 | 0 | 0 | 0 | 110.7 | N276 N286 N306 Q315 N316 Q317 | N276-N296 WeakPolarHBondContact CB-OD1 3.27Å; N276-N296 PolarHBondContact ND2-OD1 2.99Å; N286-N296 HydrophobicContact CB-CB 3.85Å; N296-N306 HydrophobicContact CB-CB 3.76Å; N296-N306 WeakPolarHBondContact CB-OD1 3.32Å; N296-Q315 PolarHBondContact N-O 3.05Å; N296-N316 PolarHBondContact ND2-OD1 3.44Å; N296-N316 CarbonylContact O-C 3.55Å; N296-Q317 PolarHBondContact O-N 3.39Å |
| 297 | Q | 82.8 | Confident | 73.9 | Confident | 19 Ų | 19 | 34.6 Ų | 34.6 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 130.4 | 174 | -47.7 | -171.3 | 26 | 0 | 0 | 113.1 | N276 Q277 G278 Q295 K299 Q317 | N276-Q297 PolarHBondContact O-N 2.92Å; Q277-Q297 VanDerWaalsContact CA-O 3.3Å; Q277-Q297 WeakPolarHBondContact CA-O 3.3Å; Q277-Q297 HydrophobicContact CG-CB 4.3Å; G278-Q297 PolarHBondContact N-O 2.93Å; Q295-Q297 HydrophobicContact CG-CG 4.43Å; Q297-K299 VanDerWaalsContact OE1-CE 3.31Å; Q297-Q317 VanDerWaalsContact CA-O 3.3Å; Q297-Q317 WeakPolarHBondContact CA-O 3.48Å; Q297-Q317 HydrophobicContact CG-CB 4.28Å |
| 298 | A | 76.6 | Confident | 73.7 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A304 Q317 K319 | A298-A304 HydrophobicContact CB-CB 3.51Å; A298-Q317 PolarHBondContact N-O 3.43Å; A298-K319 WeakPolarHBondContact O-CB 3.39Å; A298-K319 PolarHBondContact O-N 3.49Å |
| 299 | K | 73.5 | Confident | 73.8 | Confident | 72 Ų | 72 | 37.5 Ų | 37.5 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 105.4 | -177.8 | -66.9 | 169.1 | -178.7 | 168.1 | 0 | 110.7 | G278 K279 K280 Q297 K319 | G278-K299 PolarHBondContact O-N 3.04Å; K279-K299 WeakPolarHBondContact CA-O 3.41Å; K279-K299 HydrophobicContact CG-CB 4.5Å; K279-K299 HydrophobicContact CG-CD 4.39Å; K280-K299 PolarHBondContact N-O 3.42Å; Q297-K299 VanDerWaalsContact OE1-CE 3.31Å; K299-K319 WeakPolarHBondContact CA-O 3.37Å; K299-K319 HydrophobicContact CG-CB 4.45Å; K299-K319 HydrophobicContact CG-CD 4.22Å |
| 300 | K | 66.7 | Low | 73.5 | Confident | 118 Ų | 118 | 41 Ų | 41 | 51% | 0.513 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 62.7 | 108.9 | -172.4 | -72.2 | -162.3 | 166.6 | -149.4 | 0 | 114.2 | K280 G281 K319 K320 | K280-K300 WeakPolarHBondContact CA-O 3.22Å; K280-K300 HydrophobicContact CG-CB 4.14Å; K280-K300 HydrophobicContact CG-CD 4.41Å; K280-K300 PolarHBondContact N-O 3.42Å; G281-K300 PolarHBondContact N-O 3.45Å; G281-K300 VanDerWaalsContact N-O 3.17Å; K300-K319 PolarHBondContact N-O 3.17Å; K300-K320 WeakPolarHBondContact CA-O 3.46Å; K300-K320 HydrophobicContact CG-CB 4.22Å; K300-K320 PolarHBondContact N-O 2.89Å |
| 301 | G | 63.5 | Low | 73.4 | Confident | 21 Ų | 21 | 36.4 Ų | 36.4 | 22% | 0.216 | 20% | 0.197 | C | C | . | . | trans | 153.6 | 148.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G281 K320 | G281-G301 WeakPolarHBondContact O-CA 3.39Å; G301-K320 PolarHBondContact N-O 3.13Å | ||
| 302 | E | 66.9 | Low | 73.5 | Confident | 82 Ų | 82 | 39.8 Ų | 39.8 | 38% | 0.383 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 146.6 | 179.3 | -71.5 | 154.1 | -131.4 | 0 | 0 | 112.3 | E282 G283 A304 E322 | E282-E302 HydrophobicContact CG-CB 4.34Å; G283-E302 PolarHBondContact N-O 2.9Å; E302-A304 PolarHBondContact O-N 3.33Å; E302-E322 HydrophobicContact CG-CB 4.34Å |
| 303 | G | 66.7 | Low | 73.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 34.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q305 E322 | G303-Q305 PolarHBondContact O-OE1 3.36Å; G303-E322 PolarHBondContact N-O 3.07Å |
| 304 | A | 74 | Confident | 74 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | trans | -86.9 | 129.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A284 A298 E302 A324 | A284-A304 HydrophobicContact CB-CB 4.23Å; A284-A304 CarbonylContact O-C 3.57Å; A284-A304 WeakPolarHBondContact O-CA 3.42Å; A298-A304 HydrophobicContact CB-CB 3.51Å; E302-A304 PolarHBondContact O-N 3.33Å; A304-A324 WeakPolarHBondContact O-CA 3.35Å | ||
| 305 | Q | 82.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 151.2 | -156.2 | -71 | 174.1 | -72.3 | 0 | 0 | 114.9 | K175 E176 A284 N286 G303 Q325 | K175-Q305 VanDerWaalsContact C-CD 3.42Å; K175-Q305 PolarHBondContact O-NE2 2.73Å; K175-Q305 PolarHBondContact O-OE1 2.96Å; E176-Q305 VanDerWaalsContact CB-OE1 3.25Å; E176-Q305 HydrophobicContact CG-CB 4.02Å; E176-Q305 VanDerWaalsContact N-CD 3.35Å; A284-Q305 PolarHBondContact O-N 2.96Å; N286-Q305 PolarHBondContact N-O 2.93Å; N286-Q305 PolarHBondContact ND2-O 2.91Å; G303-Q305 PolarHBondContact O-OE1 3.36Å; Q305-Q325 WeakPolarHBondContact CA-O 3.38Å; Q305-Q325 HydrophobicContact CG-CB 3.67Å |
| 306 | N | 83.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 113.6 | -167 | -55.4 | -62.9 | 0 | 0 | 0 | 110.4 | N286 N296 N316 Q325 N326 Q327 | N286-N306 PolarHBondContact ND2-OD1 3.26Å; N286-N306 CarbonylContact O-C 3.43Å; N286-N306 WeakPolarHBondContact O-CA 3.21Å; N296-N306 HydrophobicContact CB-CB 3.76Å; N296-N306 WeakPolarHBondContact CB-OD1 3.32Å; N306-N316 HydrophobicContact CB-CB 3.74Å; N306-N316 WeakPolarHBondContact CB-OD1 3.46Å; N306-Q325 PolarHBondContact N-O 3.13Å; N306-N326 PolarHBondContact ND2-OD1 2.84Å; N306-N326 WeakPolarHBondContact O-CA 3.49Å; N306-Q327 PolarHBondContact O-N 3.09Å |
| 307 | Q | 82.9 | Confident | 74.4 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 112.9 | -177 | -110.8 | -170.3 | 98.1 | 0 | 0 | 112.1 | E176 N286 Q287 G288 Q327 | E176-Q307 PolarHBondContact OE1-NE2 3.37Å; E176-Q307 PolarHBondContact OE2-NE2 3.47Å; N286-Q307 PolarHBondContact O-N 3.47Å; Q287-Q307 CarbonylContact C-O 3.6Å; Q287-Q307 VanDerWaalsContact CA-O 3.27Å; Q287-Q307 WeakPolarHBondContact CA-O 3.31Å; Q287-Q307 HydrophobicContact CB-CB 4.44Å; Q287-Q307 HydrophobicContact CG-CB 4.02Å; G288-Q307 PolarHBondContact N-O 3.49Å; Q307-Q327 WeakPolarHBondContact CA-O 3.4Å; Q307-Q327 HydrophobicContact CG-CB 3.9Å; Q307-Q327 HydrophobicContact CG-CG 4.49Å |
| 308 | A | 76.4 | Confident | 73.9 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 7% | 0.066 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A314 Q327 K329 | A308-A314 HydrophobicContact CB-CB 3.64Å; A308-Q327 PolarHBondContact N-O 3.07Å; A308-K329 PolarHBondContact O-N 3.48Å |
| 309 | K | 75.7 | Confident | 73.7 | Confident | 63 Ų | 63 | 38 Ų | 38 | 27% | 0.274 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 104.6 | -176.1 | -68.6 | 168 | -177.4 | 163.6 | 0 | 110.4 | G288 K289 K290 K329 | G288-K309 PolarHBondContact O-N 3.11Å; K289-K309 HydrophobicContact CG-CB 4.37Å; K289-K309 HydrophobicContact CG-CD 4.25Å; K290-K309 PolarHBondContact N-O 2.65Å; K309-K329 HydrophobicContact CG-CD 4.37Å |
| 310 | K | 68.8 | Low | 73.3 | Confident | 121 Ų | 121 | 40.2 Ų | 40.2 | 53% | 0.526 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 59.8 | 111.3 | -172.2 | -65.8 | -167.2 | 173.1 | -162 | 0 | 114 | K290 G291 K329 K330 | K290-K310 WeakPolarHBondContact CA-O 3.38Å; K290-K310 HydrophobicContact CG-CB 4.29Å; K290-K310 PolarHBondContact N-O 2.96Å; G291-K310 PolarHBondContact N-O 3.31Å; K310-K329 PolarHBondContact N-O 3Å; K310-K330 VanDerWaalsContact CA-O 3.23Å; K310-K330 WeakPolarHBondContact CA-O 3.47Å; K310-K330 HydrophobicContact CG-CB 4.39Å; K310-K330 PolarHBondContact N-O 3.32Å |
| 311 | G | 64.4 | Low | 73.2 | Confident | 24 Ų | 24 | 35.7 Ų | 35.7 | 25% | 0.247 | 19% | 0.192 | C | C | . | . | trans | 152.4 | 151.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G291 K330 | G291-G311 WeakPolarHBondContact O-CA 3.49Å; G311-K330 PolarHBondContact N-O 3.21Å | ||
| 312 | E | 66.8 | Low | 73.2 | Confident | 94 Ų | 94 | 38.5 Ų | 38.5 | 44% | 0.439 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -86.3 | 158.4 | -179 | -66.5 | 165.2 | -142.3 | 0 | 0 | 111.8 | E292 G293 A314 E332 | E292-E312 HydrophobicContact CG-CB 4.37Å; G293-E312 PolarHBondContact N-O 3.04Å; E312-A314 PolarHBondContact O-N 3.3Å; E312-A314 VanDerWaalsContact O-N 3.14Å; E312-E332 HydrophobicContact CG-CB 4.28Å |
| 313 | G | 66.6 | Low | 73.2 | Confident | 33 Ų | 33 | 35 Ų | 35 | 34% | 0.34 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 66.1 | 16.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q315 E332 | G313-Q315 PolarHBondContact O-N 3.03Å; G313-E332 PolarHBondContact N-O 3.38Å |
| 314 | A | 74.3 | Confident | 73.5 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | trans | -62 | 121 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A308 E312 Q335 | A308-A314 HydrophobicContact CB-CB 3.64Å; E312-A314 PolarHBondContact O-N 3.3Å; E312-A314 VanDerWaalsContact O-N 3.14Å; A314-Q335 PolarHBondContact O-N 3.13Å | ||
| 315 | Q | 82.5 | Confident | 73.9 | Confident | 58 Ų | 58 | 36.7 Ų | 36.7 | 27% | 0.271 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 114.6 | -177.2 | -71.1 | -166.9 | 3.8 | 0 | 0 | 112.8 | A294 Q295 N296 G313 Q335 | A294-Q315 PolarHBondContact O-N 3.2Å; Q295-Q315 CarbonylContact C-O 3.55Å; Q295-Q315 VanDerWaalsContact CA-O 3.29Å; Q295-Q315 WeakPolarHBondContact CA-O 3.33Å; Q295-Q315 HydrophobicContact CB-CB 4.36Å; Q295-Q315 HydrophobicContact CG-CB 3.98Å; N296-Q315 PolarHBondContact N-O 3.05Å; G313-Q315 PolarHBondContact O-N 3.03Å; Q315-Q335 WeakPolarHBondContact CA-O 3.49Å; Q315-Q335 HydrophobicContact CG-CB 4.34Å |
| 316 | N | 84.2 | Confident | 73.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128 | 176.3 | -61.1 | -50.4 | 0 | 0 | 0 | 111 | N296 N306 N326 S328 Q335 N336 Q337 | N296-N316 PolarHBondContact ND2-OD1 3.44Å; N296-N316 CarbonylContact O-C 3.55Å; N306-N316 HydrophobicContact CB-CB 3.74Å; N306-N316 WeakPolarHBondContact CB-OD1 3.46Å; N316-N326 HydrophobicContact CB-CB 3.81Å; N316-S328 PolarHBondContact ND2-OG 3.38Å; N316-Q335 PolarHBondContact N-O 3.28Å; N316-N336 WeakPolarHBondContact CB-OD1 3.36Å; N316-N336 PolarHBondContact ND2-OD1 3.15Å; N316-Q337 PolarHBondContact O-N 3.33Å |
| 317 | Q | 82 | Confident | 73.8 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 109.8 | 179.3 | -52.3 | -165.5 | 27.6 | 0 | 0 | 114.5 | N296 Q297 A298 Q337 | N296-Q317 PolarHBondContact O-N 3.39Å; Q297-Q317 VanDerWaalsContact CA-O 3.3Å; Q297-Q317 WeakPolarHBondContact CA-O 3.48Å; Q297-Q317 HydrophobicContact CG-CB 4.28Å; A298-Q317 PolarHBondContact N-O 3.43Å; Q317-Q337 CarbonylContact C-O 3.27Å; Q317-Q337 VanDerWaalsContact CA-O 3.31Å; Q317-Q337 WeakPolarHBondContact CA-O 3.41Å; Q317-Q337 HydrophobicContact CG-CB 4.3Å |
| 318 | G | 73.6 | Confident | 73.5 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133.6 | 165 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q337 K339 | G318-Q337 PolarHBondContact N-O 3.4Å; G318-K339 WeakPolarHBondContact O-CB 3.25Å; G318-K339 PolarHBondContact O-N 3.38Å |
| 319 | K | 72.1 | Confident | 73.4 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 111.4 | -177.9 | -63 | 169 | -178.4 | 170.3 | 0 | 111.9 | A298 K299 K300 K339 | A298-K319 WeakPolarHBondContact O-CB 3.39Å; A298-K319 PolarHBondContact O-N 3.49Å; K299-K319 WeakPolarHBondContact CA-O 3.37Å; K299-K319 HydrophobicContact CG-CB 4.45Å; K299-K319 HydrophobicContact CG-CD 4.22Å; K300-K319 PolarHBondContact N-O 3.17Å; K319-K339 WeakPolarHBondContact CA-O 3.29Å; K319-K339 HydrophobicContact CG-CB 4.38Å; K319-K339 HydrophobicContact CG-CD 4.17Å |
| 320 | K | 65.2 | Low | 73.1 | Confident | 118 Ų | 118 | 42.7 Ų | 42.7 | 51% | 0.513 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 60.3 | 94.1 | -177.5 | -66.7 | -168.3 | 174.8 | -168.1 | 0 | 113.4 | K300 G301 K339 K340 | K300-K320 WeakPolarHBondContact CA-O 3.46Å; K300-K320 HydrophobicContact CG-CB 4.22Å; K300-K320 PolarHBondContact N-O 2.89Å; G301-K320 PolarHBondContact N-O 3.13Å; K320-K339 PolarHBondContact N-O 3.04Å; K320-K340 WeakPolarHBondContact CA-O 3.48Å; K320-K340 HydrophobicContact CG-CB 4.33Å; K320-K340 PolarHBondContact N-O 3.25Å |
| 321 | G | 63.3 | Low | 72.8 | Confident | 23 Ų | 23 | 38 Ų | 38 | 24% | 0.237 | 21% | 0.206 | C | C | . | . | trans | 156.4 | 152.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | K340 | G321-K340 PolarHBondContact N-O 3.16Š| ||
| 322 | E | 65.3 | Low | 72.9 | Confident | 80 Ų | 80 | 41.4 Ų | 41.4 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -76.4 | 159.4 | -179.8 | -68 | 151.1 | -133.6 | 0 | 0 | 112.4 | E302 G303 A324 E342 | E302-E322 HydrophobicContact CG-CB 4.34Å; G303-E322 PolarHBondContact N-O 3.07Å; E322-A324 VanDerWaalsContact C-N 3.27Å; E322-A324 PolarHBondContact O-N 3.2Å; E322-E342 HydrophobicContact CG-CB 4.28Å |
| 323 | G | 65.7 | Low | 72.9 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 67.9 | 20.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q325 E342 | G323-Q325 PolarHBondContact O-N 3.43Å; G323-E342 PolarHBondContact N-O 3.48Å |
| 324 | A | 73.1 | Confident | 73.2 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | trans | -67.9 | 102.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A304 E322 Q345 | A304-A324 WeakPolarHBondContact O-CA 3.35Å; E322-A324 VanDerWaalsContact C-N 3.27Å; E322-A324 PolarHBondContact O-N 3.2Å; A324-Q345 PolarHBondContact O-N 2.89Å; A324-Q345 VanDerWaalsContact O-N 3.12Å | ||
| 325 | Q | 81.9 | Confident | 73.6 | Confident | 30 Ų | 30 | 40.1 Ų | 40.1 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.8 | -179.5 | -132.5 | -161 | 42 | 0 | 0 | 112.3 | Q305 N306 G323 Q345 | Q305-Q325 WeakPolarHBondContact CA-O 3.38Å; Q305-Q325 HydrophobicContact CG-CB 3.67Å; N306-Q325 PolarHBondContact N-O 3.13Å; G323-Q325 PolarHBondContact O-N 3.43Å; Q325-Q345 WeakPolarHBondContact CA-O 3.47Å; Q325-Q345 HydrophobicContact CG-CB 3.75Å; Q325-Q345 HydrophobicContact CG-CG 4.44Å |
| 326 | N | 82.9 | Confident | 73.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.3 | 174.9 | -54.7 | -63.1 | 0 | 0 | 0 | 109.8 | N306 N316 N336 Q345 N346 Q347 | N306-N326 PolarHBondContact ND2-OD1 2.84Å; N306-N326 WeakPolarHBondContact O-CA 3.49Å; N316-N326 HydrophobicContact CB-CB 3.81Å; N326-N336 HydrophobicContact CB-CB 3.92Å; N326-N336 WeakPolarHBondContact CB-OD1 3.23Å; N326-Q345 PolarHBondContact N-O 3.05Å; N326-N346 PolarHBondContact ND2-OD1 3Å; N326-N346 CarbonylContact O-C 3.49Å; N326-N346 WeakPolarHBondContact O-CA 3.32Å; N326-Q347 PolarHBondContact O-N 3.3Å |
| 327 | Q | 82.1 | Confident | 73.4 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 9% | 0.089 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128.1 | 177.6 | -56.3 | -169 | 36.7 | 0 | 0 | 112.5 | N306 Q307 A308 Q347 | N306-Q327 PolarHBondContact O-N 3.09Å; Q307-Q327 WeakPolarHBondContact CA-O 3.4Å; Q307-Q327 HydrophobicContact CG-CB 3.9Å; Q307-Q327 HydrophobicContact CG-CG 4.49Å; A308-Q327 PolarHBondContact N-O 3.07Å; Q327-Q347 WeakPolarHBondContact CA-O 3.48Å; Q327-Q347 HydrophobicContact CG-CB 4.3Å |
| 328 | S | 76.6 | Confident | 73 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.2 | 171.1 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | N316 N336 Q347 K349 | N316-S328 PolarHBondContact ND2-OG 3.38Å; S328-N336 PolarHBondContact OG-OD1 3.4Å; S328-Q347 PolarHBondContact N-O 3.39Å; S328-K349 PolarHBondContact O-N 3.08Å |
| 329 | K | 75.1 | Confident | 72.9 | Confident | 68 Ų | 68 | 40.4 Ų | 40.4 | 30% | 0.296 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 106.2 | -173.2 | -69.2 | 170.1 | -180 | 170.4 | 0 | 110.6 | A308 K309 K310 K349 | A308-K329 PolarHBondContact O-N 3.48Å; K309-K329 HydrophobicContact CG-CD 4.37Å; K310-K329 PolarHBondContact N-O 3Å; K329-K349 HydrophobicContact CG-CB 4.23Å; K329-K349 HydrophobicContact CG-CD 4.07Å |
| 330 | K | 68.2 | Low | 72.6 | Confident | 118 Ų | 118 | 43.3 Ų | 43.3 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 58.7 | 110.3 | -172.7 | -63.3 | -171.6 | 176 | -169.4 | 0 | 113.9 | K310 G311 K349 K350 | K310-K330 VanDerWaalsContact CA-O 3.23Å; K310-K330 WeakPolarHBondContact CA-O 3.47Å; K310-K330 HydrophobicContact CG-CB 4.39Å; K310-K330 PolarHBondContact N-O 3.32Å; G311-K330 PolarHBondContact N-O 3.21Å; K330-K349 PolarHBondContact N-O 3Å; K330-K350 VanDerWaalsContact CA-O 3.25Å; K330-K350 WeakPolarHBondContact CA-O 3.41Å; K330-K350 HydrophobicContact CG-CB 4.37Å; K330-K350 PolarHBondContact N-O 3.04Å |
| 331 | G | 63.6 | Low | 72.5 | Confident | 23 Ų | 23 | 38.9 Ų | 38.9 | 24% | 0.237 | 21% | 0.211 | C | C | . | . | trans | 152.7 | 153.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K350 G351 | G331-K350 PolarHBondContact N-O 2.77Å; G331-G351 WeakPolarHBondContact O-CA 3.32Å | ||
| 332 | E | 66.2 | Low | 72.5 | Confident | 94 Ų | 94 | 42.4 Ų | 42.4 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -86.6 | 158.9 | -176.2 | -66.2 | 159.4 | -139.2 | 0 | 0 | 112.3 | E312 G313 A334 E352 | E312-E332 HydrophobicContact CG-CB 4.28Å; G313-E332 PolarHBondContact N-O 3.38Å; E332-A334 VanDerWaalsContact C-N 3.25Å; E332-A334 PolarHBondContact O-N 3.12Å; E332-E352 HydrophobicContact CG-CB 4.31Å |
| 333 | G | 65.6 | Low | 72.4 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 34% | 0.34 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 66.4 | 20.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q335 E352 | G333-Q335 PolarHBondContact O-N 3.44Å; G333-E352 PolarHBondContact N-O 3.24Å |
| 334 | A | 73.7 | Confident | 72.5 | Confident | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | trans | -65.1 | 117.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | E332 Q355 | E332-A334 VanDerWaalsContact C-N 3.25Å; E332-A334 PolarHBondContact O-N 3.12Å; A334-Q355 PolarHBondContact O-N 2.92Å | ||
| 335 | Q | 81.8 | Confident | 72.7 | Confident | 67 Ų | 67 | 42 Ų | 42 | 31% | 0.313 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.8 | 179 | -62.6 | -169 | 5.8 | 0 | 0 | 112.8 | A314 Q315 N316 G333 Q355 | A314-Q335 PolarHBondContact O-N 3.13Å; Q315-Q335 WeakPolarHBondContact CA-O 3.49Å; Q315-Q335 HydrophobicContact CG-CB 4.34Å; N316-Q335 PolarHBondContact N-O 3.28Å; G333-Q335 PolarHBondContact O-N 3.44Å; Q335-Q355 WeakPolarHBondContact CA-O 3.49Å; Q335-Q355 HydrophobicContact CG-CB 4.49Å |
| 336 | N | 82.2 | Confident | 72.6 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.7 | 174.7 | -61.1 | -58.3 | 0 | 0 | 0 | 110.9 | N316 N326 S328 N346 Q355 N356 Q357 | N316-N336 WeakPolarHBondContact CB-OD1 3.36Å; N316-N336 PolarHBondContact ND2-OD1 3.15Å; N326-N336 HydrophobicContact CB-CB 3.92Å; N326-N336 WeakPolarHBondContact CB-OD1 3.23Å; S328-N336 PolarHBondContact OG-OD1 3.4Å; N336-N346 HydrophobicContact CB-CB 3.82Å; N336-N346 WeakPolarHBondContact CB-OD1 3.46Å; N336-Q355 PolarHBondContact N-O 3.46Å; N336-N356 WeakPolarHBondContact CB-OD1 3.3Å; N336-N356 PolarHBondContact ND2-OD1 3.06Å; N336-N356 CarbonylContact O-C 3.59Å; N336-Q357 PolarHBondContact O-N 3.45Å |
| 337 | Q | 80.2 | Confident | 72.3 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 112.8 | 179.9 | -72.4 | -173.5 | 57.3 | 0 | 0 | 113.4 | N316 Q317 G318 Q357 | N316-Q337 PolarHBondContact O-N 3.33Å; Q317-Q337 CarbonylContact C-O 3.27Å; Q317-Q337 VanDerWaalsContact CA-O 3.31Å; Q317-Q337 WeakPolarHBondContact CA-O 3.41Å; Q317-Q337 HydrophobicContact CG-CB 4.3Å; G318-Q337 PolarHBondContact N-O 3.4Å; Q337-Q357 WeakPolarHBondContact CA-O 3.38Å; Q337-Q357 HydrophobicContact CG-CB 4.18Å; Q337-Q357 HydrophobicContact CG-CG 4.41Å |
| 338 | A | 73.8 | Confident | 71.8 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.7 | 166 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q357 K359 | A338-Q357 PolarHBondContact N-O 3.17Å; A338-K359 PolarHBondContact O-N 3.04Å |
| 339 | K | 73.3 | Confident | 71.6 | Confident | 56 Ų | 56 | 43.3 Ų | 43.3 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 108.4 | -175.8 | -68 | 166 | -179.5 | 165.7 | 0 | 111.8 | G318 K319 K320 K359 | G318-K339 WeakPolarHBondContact O-CB 3.25Å; G318-K339 PolarHBondContact O-N 3.38Å; K319-K339 WeakPolarHBondContact CA-O 3.29Å; K319-K339 HydrophobicContact CG-CB 4.38Å; K319-K339 HydrophobicContact CG-CD 4.17Å; K320-K339 PolarHBondContact N-O 3.04Å; K339-K359 WeakPolarHBondContact CA-O 3.49Å; K339-K359 HydrophobicContact CG-CB 4.28Å; K339-K359 HydrophobicContact CG-CD 4.13Å |
| 340 | K | 65.4 | Low | 71.1 | Confident | 117 Ų | 117 | 45.6 Ų | 45.6 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 59.3 | 95 | -177.5 | -62 | -171.1 | 175 | -165.3 | 0 | 113.2 | K320 G321 K359 K360 | K320-K340 WeakPolarHBondContact CA-O 3.48Å; K320-K340 HydrophobicContact CG-CB 4.33Å; K320-K340 PolarHBondContact N-O 3.25Å; G321-K340 PolarHBondContact N-O 3.16Å; K340-K359 PolarHBondContact N-O 2.97Å; K340-K360 WeakPolarHBondContact CA-O 3.17Å; K340-K360 HydrophobicContact CG-CB 4.09Å; K340-K360 HydrophobicContact CG-CD 4.31Å; K340-K360 PolarHBondContact N-O 3.49Å |
| 341 | G | 62.5 | Low | 70.9 | Confident | 25 Ų | 25 | 41 Ų | 41 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | trans | 159.4 | 152.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K360 | G341-K360 PolarHBondContact N-O 2.93Š| ||
| 342 | E | 63.5 | Low | 70.8 | Confident | 98 Ų | 98 | 44.6 Ų | 44.6 | 46% | 0.458 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 160.1 | -176.7 | -65.8 | 152.8 | -139.7 | 0 | 0 | 112 | E322 G323 G344 E362 | E322-E342 HydrophobicContact CG-CB 4.28Å; G323-E342 PolarHBondContact N-O 3.48Å; E342-G344 PolarHBondContact O-N 3.41Å; E342-G344 VanDerWaalsContact O-N 3.17Å; E342-E362 WeakPolarHBondContact CA-O 3.46Å; E342-E362 HydrophobicContact CG-CB 4.14Å |
| 343 | G | 63 | Low | 70.7 | Confident | 32 Ų | 32 | 41.9 Ų | 41.9 | 33% | 0.33 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 16.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q345 E362 | G343-Q345 PolarHBondContact O-N 3.09Å; G343-E362 PolarHBondContact N-O 2.82Å |
| 344 | G | 68.3 | Low | 70.9 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | trans | -65.8 | 111.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E342 A364 Q365 | E342-G344 PolarHBondContact O-N 3.41Å; E342-G344 VanDerWaalsContact O-N 3.17Å; G344-A364 WeakPolarHBondContact O-CA 3.45Å; G344-Q365 PolarHBondContact O-N 2.86Å; G344-Q365 VanDerWaalsContact O-N 3.09Å | ||
| 345 | Q | 77.8 | Confident | 71.1 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.8 | -179.4 | -57.4 | -178.1 | 4 | 0 | 0 | 112.4 | A324 Q325 N326 G343 Q365 | A324-Q345 PolarHBondContact O-N 2.89Å; A324-Q345 VanDerWaalsContact O-N 3.12Å; Q325-Q345 WeakPolarHBondContact CA-O 3.47Å; Q325-Q345 HydrophobicContact CG-CB 3.75Å; Q325-Q345 HydrophobicContact CG-CG 4.44Å; N326-Q345 PolarHBondContact N-O 3.05Å; G343-Q345 PolarHBondContact O-N 3.09Å; Q345-Q365 CarbonylContact C-O 3.56Å; Q345-Q365 WeakPolarHBondContact CA-O 3.43Å; Q345-Q365 HydrophobicContact CG-CB 4.39Å |
| 346 | N | 79.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.8 | 172.3 | -55.5 | -60.4 | 0 | 0 | 0 | 110.4 | N326 N336 N356 Q365 N366 Q367 | N326-N346 PolarHBondContact ND2-OD1 3Å; N326-N346 CarbonylContact O-C 3.49Å; N326-N346 WeakPolarHBondContact O-CA 3.32Å; N336-N346 HydrophobicContact CB-CB 3.82Å; N336-N346 WeakPolarHBondContact CB-OD1 3.46Å; N346-N356 HydrophobicContact CB-CB 3.89Å; N346-Q365 PolarHBondContact N-O 3.04Å; N346-N366 PolarHBondContact ND2-OD1 3.35Å; N346-N366 WeakPolarHBondContact O-CA 3.22Å; N346-Q367 PolarHBondContact O-N 2.91Å |
| 347 | Q | 77 | Confident | 70.6 | Confident | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123 | 179.7 | -55.5 | -171.4 | 14.9 | 0 | 0 | 113.3 | N326 Q327 S328 Q367 | N326-Q347 PolarHBondContact O-N 3.3Å; Q327-Q347 WeakPolarHBondContact CA-O 3.48Å; Q327-Q347 HydrophobicContact CG-CB 4.3Å; S328-Q347 PolarHBondContact N-O 3.39Å; Q347-Q367 WeakPolarHBondContact CA-O 3.49Å; Q347-Q367 HydrophobicContact CG-CB 4.36Å |
| 348 | A | 71.5 | Confident | 70.2 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A354 Q367 K369 | A348-A354 HydrophobicContact CB-CB 3.67Å; A348-Q367 PolarHBondContact N-O 3.44Å; A348-K369 PolarHBondContact O-N 3.04Å; A348-K369 VanDerWaalsContact O-N 3.14Å |
| 349 | K | 71.8 | Confident | 70 | Confident | 50 Ų | 50 | 41.7 Ų | 41.7 | 22% | 0.217 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 89 | -172.4 | -68.1 | 169.7 | -176.3 | 167.1 | 0 | 111 | S328 K329 K330 K369 | S328-K349 PolarHBondContact O-N 3.08Å; K329-K349 HydrophobicContact CG-CB 4.23Å; K329-K349 HydrophobicContact CG-CD 4.07Å; K330-K349 PolarHBondContact N-O 3Å; K349-K369 HydrophobicContact CG-CD 4.44Å |
| 350 | K | 65.4 | Low | 69.6 | Low | 116 Ų | 116 | 44.2 Ų | 44.2 | 50% | 0.504 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 65.6 | 127.3 | -171 | -69.1 | -168 | 171.1 | -160.4 | 0 | 113.6 | K330 G331 K370 | K330-K350 VanDerWaalsContact CA-O 3.25Å; K330-K350 WeakPolarHBondContact CA-O 3.41Å; K330-K350 HydrophobicContact CG-CB 4.37Å; K330-K350 PolarHBondContact N-O 3.04Å; G331-K350 PolarHBondContact N-O 2.77Å; K350-K370 WeakPolarHBondContact CA-O 3.47Å; K350-K370 HydrophobicContact CG-CB 4.28Å |
| 351 | G | 62.4 | Low | 69.4 | Low | 21 Ų | 21 | 39.6 Ų | 39.6 | 22% | 0.216 | 22% | 0.22 | C | C | . | . | trans | 141.4 | 150.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | G331 G371 | G331-G351 WeakPolarHBondContact O-CA 3.32Å; G351-G371 WeakPolarHBondContact O-CA 3.42Å | ||
| 352 | E | 62.9 | Low | 69.4 | Low | 98 Ų | 98 | 43.2 Ų | 43.2 | 46% | 0.458 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -83.5 | 158.8 | 177.2 | -69.7 | 147.9 | -127.9 | 0 | 0 | 111.8 | E332 G333 A354 E372 | E332-E352 HydrophobicContact CG-CB 4.31Å; G333-E352 PolarHBondContact N-O 3.24Å; E352-A354 VanDerWaalsContact C-N 3.33Å; E352-A354 PolarHBondContact O-N 3.09Å; E352-E372 HydrophobicContact CG-CB 4.38Å |
| 353 | G | 63.2 | Low | 69.3 | Low | 38 Ų | 38 | 40.3 Ų | 40.3 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 66.9 | 27 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q355 E372 | G353-Q355 PolarHBondContact O-N 3.14Å; G353-E372 PolarHBondContact N-O 3.34Å; G353-E372 VanDerWaalsContact N-O 3.1Å |
| 354 | A | 70.2 | Confident | 69.4 | Low | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | trans | -72 | 113.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A348 E352 Q375 | A348-A354 HydrophobicContact CB-CB 3.67Å; E352-A354 VanDerWaalsContact C-N 3.33Å; E352-A354 PolarHBondContact O-N 3.09Å; A354-Q375 PolarHBondContact O-N 3.39Å | ||
| 355 | Q | 76.9 | Confident | 69.6 | Low | 48 Ų | 48 | 41.6 Ų | 41.6 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 112.3 | -179 | -166.4 | -172.6 | 84.4 | 0 | 0 | 112.8 | A334 Q335 N336 G353 Q357 Q375 | A334-Q355 PolarHBondContact O-N 2.92Å; Q335-Q355 WeakPolarHBondContact CA-O 3.49Å; Q335-Q355 HydrophobicContact CG-CB 4.49Å; N336-Q355 PolarHBondContact N-O 3.46Å; G353-Q355 PolarHBondContact O-N 3.14Å; Q355-Q357 HydrophobicContact CG-CG 4.42Å; Q355-Q375 WeakPolarHBondContact CA-O 3.44Å; Q355-Q375 HydrophobicContact CG-CB 4.4Å |
| 356 | N | 77.8 | Confident | 69.5 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.2 | 175.5 | -56 | -59.1 | 0 | 0 | 0 | 110.6 | N336 N346 N366 Q375 N376 Q377 | N336-N356 WeakPolarHBondContact CB-OD1 3.3Å; N336-N356 PolarHBondContact ND2-OD1 3.06Å; N336-N356 CarbonylContact O-C 3.59Å; N346-N356 HydrophobicContact CB-CB 3.89Å; N356-N366 HydrophobicContact CB-CB 4.06Å; N356-N366 WeakPolarHBondContact CB-OD1 2.8Å; N356-Q375 PolarHBondContact N-O 3.38Å; N356-N376 PolarHBondContact ND2-OD1 2.97Å; N356-N376 CarbonylContact O-C 3.43Å; N356-N376 WeakPolarHBondContact O-CA 3.46Å; N356-Q377 PolarHBondContact O-N 2.97Å |
| 357 | Q | 75.8 | Confident | 69.1 | Low | 16 Ų | 16 | 40.4 Ų | 40.4 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.3 | 173.5 | -42.8 | -174 | 20.3 | 0 | 0 | 113.3 | N336 Q337 A338 Q355 Q377 | N336-Q357 PolarHBondContact O-N 3.45Å; Q337-Q357 WeakPolarHBondContact CA-O 3.38Å; Q337-Q357 HydrophobicContact CG-CB 4.18Å; Q337-Q357 HydrophobicContact CG-CG 4.41Å; A338-Q357 PolarHBondContact N-O 3.17Å; Q355-Q357 HydrophobicContact CG-CG 4.42Å; Q357-Q377 CarbonylContact C-O 3.59Å; Q357-Q377 VanDerWaalsContact CA-O 3.29Å; Q357-Q377 WeakPolarHBondContact CA-O 3.5Å; Q357-Q377 HydrophobicContact CG-CB 4.33Å |
| 358 | A | 71.9 | Confident | 68.7 | Low | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A364 Q377 K379 | A358-A364 HydrophobicContact CB-CB 3.64Å; A358-Q377 PolarHBondContact N-O 3.44Å; A358-K379 PolarHBondContact O-N 2.88Å |
| 359 | K | 70.7 | Confident | 68.5 | Low | 61 Ų | 61 | 43.6 Ų | 43.6 | 27% | 0.265 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 99.9 | -175.4 | -69.7 | 168 | -177.9 | 166 | 0 | 110.5 | A338 K339 K340 K379 | A338-K359 PolarHBondContact O-N 3.04Å; K339-K359 WeakPolarHBondContact CA-O 3.49Å; K339-K359 HydrophobicContact CG-CB 4.28Å; K339-K359 HydrophobicContact CG-CD 4.13Å; K340-K359 PolarHBondContact N-O 2.97Å; K359-K379 HydrophobicContact CG-CB 4.09Å; K359-K379 HydrophobicContact CG-CD 4.03Å |
| 360 | K | 64 | Low | 68.1 | Low | 110 Ų | 110 | 46.5 Ų | 46.5 | 48% | 0.478 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 62.7 | 130.4 | -172.9 | -75.7 | 176.6 | 156.8 | -76.2 | 0 | 115.9 | K340 G341 K379 K380 G381 | K340-K360 WeakPolarHBondContact CA-O 3.17Å; K340-K360 HydrophobicContact CG-CB 4.09Å; K340-K360 HydrophobicContact CG-CD 4.31Å; K340-K360 PolarHBondContact N-O 3.49Å; G341-K360 PolarHBondContact N-O 2.93Å; K360-K379 PolarHBondContact N-O 3Å; K360-K379 VanDerWaalsContact N-O 3.16Å; K360-K380 WeakPolarHBondContact CG-O 3.46Å; K360-G381 CarbonylContact C-O 3.48Å; K360-G381 WeakPolarHBondContact CA-O 3.47Å |
| 361 | G | 61.7 | Low | 67.8 | Low | 20 Ų | 20 | 41.7 Ų | 41.7 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 119.3 | 148.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G381 V382 | G361-G381 PolarHBondContact N-O 3.43Å; G361-V382 WeakPolarHBondContact O-CA 3.38Å; G361-V382 WeakPolarHBondContact O-CG1 3.45Å; G361-V382 WeakPolarHBondContact O-CG2 3.32Å |
| 362 | E | 61.7 | Low | 67.7 | Low | 100 Ų | 100 | 45.2 Ų | 45.2 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -79.2 | 164.6 | -172.8 | -59.9 | 171.4 | -147.7 | 0 | 0 | 113.3 | E342 G343 A364 | E342-E362 WeakPolarHBondContact CA-O 3.46Å; E342-E362 HydrophobicContact CG-CB 4.14Å; G343-E362 PolarHBondContact N-O 2.82Å; E362-A364 VanDerWaalsContact C-N 3.3Å; E362-A364 PolarHBondContact O-N 2.93Å |
| 363 | G | 61.6 | Low | 67.5 | Low | 37 Ų | 37 | 42.4 Ų | 42.4 | 38% | 0.381 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 69 | 19.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q365 E383 | G363-Q365 PolarHBondContact O-N 3.31Å; G363-E383 PolarHBondContact N-O 3.3Å; G363-E383 VanDerWaalsContact N-O 3.15Å |
| 364 | A | 65.7 | Low | 67.6 | Low | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | trans | -69.7 | 121.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G344 A358 E362 V382 Q386 | G344-A364 WeakPolarHBondContact O-CA 3.45Å; A358-A364 HydrophobicContact CB-CB 3.64Å; E362-A364 VanDerWaalsContact C-N 3.3Å; E362-A364 PolarHBondContact O-N 2.93Å; A364-V382 HydrophobicContact CB-CG1 3.67Å; A364-Q386 PolarHBondContact O-N 3.25Å; A364-Q386 VanDerWaalsContact O-N 3.17Å | ||
| 365 | Q | 72.8 | Confident | 67.6 | Low | 57 Ų | 57 | 42.9 Ų | 42.9 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.4 | 178 | -63.6 | -165.6 | -4 | 0 | 0 | 112.4 | G344 Q345 N346 G363 Q386 | G344-Q365 PolarHBondContact O-N 2.86Å; G344-Q365 VanDerWaalsContact O-N 3.09Å; Q345-Q365 CarbonylContact C-O 3.56Å; Q345-Q365 WeakPolarHBondContact CA-O 3.43Å; Q345-Q365 HydrophobicContact CG-CB 4.39Å; N346-Q365 PolarHBondContact N-O 3.04Å; G363-Q365 PolarHBondContact O-N 3.31Å; Q365-Q386 WeakPolarHBondContact CA-O 3.34Å; Q365-Q386 HydrophobicContact CG-CB 4.42Å |
| 366 | N | 74.3 | Confident | 67.4 | Low | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.5 | 170.9 | -53.3 | -67.5 | 0 | 0 | 0 | 110.4 | N346 N356 N376 Q386 N387 Q388 | N346-N366 PolarHBondContact ND2-OD1 3.35Å; N346-N366 WeakPolarHBondContact O-CA 3.22Å; N356-N366 HydrophobicContact CB-CB 4.06Å; N356-N366 WeakPolarHBondContact CB-OD1 2.8Å; N366-N376 HydrophobicContact CB-CB 4.05Å; N366-N376 WeakPolarHBondContact CB-OD1 3.32Å; N366-Q386 PolarHBondContact N-O 2.91Å; N366-N387 PolarHBondContact ND2-OD1 3.47Å; N366-N387 CarbonylContact O-C 3.53Å; N366-N387 WeakPolarHBondContact O-CA 3.36Å; N366-Q388 PolarHBondContact O-N 2.98Å |
| 367 | Q | 72.6 | Confident | 67 | Low | 31 Ų | 31 | 41.4 Ų | 41.4 | 15% | 0.145 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.6 | 178.8 | -57.5 | -169.6 | 21.3 | 0 | 0 | 112.7 | N346 Q347 A348 Q388 | N346-Q367 PolarHBondContact O-N 2.91Å; Q347-Q367 WeakPolarHBondContact CA-O 3.49Å; Q347-Q367 HydrophobicContact CG-CB 4.36Å; A348-Q367 PolarHBondContact N-O 3.44Å; Q367-Q388 HydrophobicContact CG-CB 4.36Å |
| 368 | A | 68.3 | Low | 66.6 | Low | 6 Ų | 6 | 41 Ų | 41 | 5% | 0.05 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V374 Q388 K390 | A368-V374 HydrophobicContact CB-CB 4.33Å; A368-V374 HydrophobicContact CB-CG1 3.53Å; A368-V374 HydrophobicContact CB-CG2 3.84Å; A368-Q388 PolarHBondContact N-O 3.39Å; A368-K390 PolarHBondContact O-N 2.69Å; A368-K390 VanDerWaalsContact O-N 3.12Å |
| 369 | K | 65.9 | Low | 66.3 | Low | 95 Ų | 95 | 43.2 Ų | 43.2 | 41% | 0.413 | 23% | 0.229 | S | C | . | . | trans | -89.4 | -35.9 | -175.8 | -70.4 | -161.7 | 179.7 | -172.9 | 0 | 114.7 | A348 K349 K390 | A348-K369 PolarHBondContact O-N 3.04Å; A348-K369 VanDerWaalsContact O-N 3.14Å; K349-K369 HydrophobicContact CG-CD 4.44Å; K369-K390 HydrophobicContact CG-CD 4.49Å | ||
| 370 | K | 63.5 | Low | 65.7 | Low | 110 Ų | 110 | 46.8 Ų | 46.8 | 48% | 0.478 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -162.4 | 139.6 | 177.3 | -74.1 | -162.1 | 176.1 | -165.8 | 0 | 109.2 | K350 K391 | K350-K370 WeakPolarHBondContact CA-O 3.47Å; K350-K370 HydrophobicContact CG-CB 4.28Å; K370-K391 WeakPolarHBondContact CA-O 3.38Å; K370-K391 HydrophobicContact CG-CB 4.42Å |
| 371 | G | 60 | Low | 65 | Low | 15 Ų | 15 | 43.1 Ų | 43.1 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | trans | 147.1 | 152.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G351 | G351-G371 WeakPolarHBondContact O-CA 3.42Š| ||
| 372 | E | 60.2 | Low | 64.6 | Low | 95 Ų | 95 | 42.4 Ų | 42.4 | 44% | 0.444 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -81.6 | 160.6 | 169.6 | -69.6 | 124.3 | -113 | 0 | 0 | 111.8 | E352 G353 V374 E393 | E352-E372 HydrophobicContact CG-CB 4.38Å; G353-E372 PolarHBondContact N-O 3.34Å; G353-E372 VanDerWaalsContact N-O 3.1Å; E372-V374 VanDerWaalsContact C-N 3.34Å; E372-V374 PolarHBondContact O-N 3.26Å; E372-E393 HydrophobicContact CG-CB 4.22Å |
| 373 | G | 59.3 | Low | 64.3 | Low | 40 Ų | 40 | 41 Ų | 41 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 66.2 | 28.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q375 | G373-Q375 PolarHBondContact O-N 3.29Š|
| 374 | V | 64.2 | Low | 64 | Low | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -69.4 | 127.4 | 179.5 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | A368 E372 N395 Q396 | A368-V374 HydrophobicContact CB-CB 4.33Å; A368-V374 HydrophobicContact CB-CG1 3.53Å; A368-V374 HydrophobicContact CB-CG2 3.84Å; E372-V374 VanDerWaalsContact C-N 3.34Å; E372-V374 PolarHBondContact O-N 3.26Å; V374-N395 WeakPolarHBondContact CG1-OD1 3.27Å; V374-N395 WeakPolarHBondContact O-CA 3.31Å; V374-Q396 PolarHBondContact O-N 3.04Å | ||
| 375 | Q | 71.3 | Confident | 63.8 | Low | 45 Ų | 45 | 41.1 Ų | 41.1 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 116.1 | 176 | -165.3 | -171.2 | 69.9 | 0 | 0 | 113.1 | A354 Q355 N356 G373 Q377 Q396 | A354-Q375 PolarHBondContact O-N 3.39Å; Q355-Q375 WeakPolarHBondContact CA-O 3.44Å; Q355-Q375 HydrophobicContact CG-CB 4.4Å; N356-Q375 PolarHBondContact N-O 3.38Å; G373-Q375 PolarHBondContact O-N 3.29Å; Q375-Q377 HydrophobicContact CG-CG 4.36Å; Q375-Q396 WeakPolarHBondContact CA-O 3.18Å; Q375-Q396 HydrophobicContact CG-CB 4.45Å |
| 376 | N | 72 | Confident | 63.4 | Low | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.8 | 177.3 | -48.6 | -75.2 | 0 | 0 | 0 | 110.8 | N356 N366 N387 N395 Q396 N397 Q398 | N356-N376 PolarHBondContact ND2-OD1 2.97Å; N356-N376 CarbonylContact O-C 3.43Å; N356-N376 WeakPolarHBondContact O-CA 3.46Å; N366-N376 HydrophobicContact CB-CB 4.05Å; N366-N376 WeakPolarHBondContact CB-OD1 3.32Å; N376-N387 HydrophobicContact CB-CB 4.33Å; N376-N395 PolarHBondContact ND2-OD1 3.42Å; N376-Q396 PolarHBondContact N-O 2.89Å; N376-N397 WeakPolarHBondContact CB-OD1 3.19Å; N376-N397 PolarHBondContact ND2-OD1 3.42Å; N376-N397 CarbonylContact O-C 3.3Å; N376-N397 WeakPolarHBondContact O-CA 3.29Å; N376-Q398 PolarHBondContact O-N 2.92Å |
| 377 | Q | 69.8 | Low | 63 | Low | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 117.2 | -179.4 | -52.7 | -168.1 | 27.8 | 0 | 0 | 113.6 | N356 Q357 A358 Q375 Q398 | N356-Q377 PolarHBondContact O-N 2.97Å; Q357-Q377 CarbonylContact C-O 3.59Å; Q357-Q377 VanDerWaalsContact CA-O 3.29Å; Q357-Q377 WeakPolarHBondContact CA-O 3.5Å; Q357-Q377 HydrophobicContact CG-CB 4.33Å; A358-Q377 PolarHBondContact N-O 3.44Å; Q375-Q377 HydrophobicContact CG-CG 4.36Å; Q377-Q398 WeakPolarHBondContact CA-O 3.5Å; Q377-Q398 HydrophobicContact CG-CB 4.3Å |
| 378 | A | 66.4 | Low | 62.6 | Low | 8 Ų | 8 | 42.1 Ų | 42.1 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A385 Q398 K400 | A378-A385 HydrophobicContact CB-CB 4.11Å; A378-Q398 PolarHBondContact N-O 2.92Å; A378-K400 PolarHBondContact O-N 2.86Å |
| 379 | K | 65.9 | Low | 62.3 | Low | 48 Ų | 48 | 42.2 Ų | 42.2 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 117.4 | -169.1 | -67.5 | 169.9 | -178 | 170.8 | 0 | 113.5 | A358 K359 K360 K400 | A358-K379 PolarHBondContact O-N 2.88Å; K359-K379 HydrophobicContact CG-CB 4.09Å; K359-K379 HydrophobicContact CG-CD 4.03Å; K360-K379 PolarHBondContact N-O 3Å; K360-K379 VanDerWaalsContact N-O 3.16Å; K379-K400 HydrophobicContact CG-CB 4.47Å; K379-K400 HydrophobicContact CG-CD 4.32Å |
| 380 | K | 58 | Low | 62.1 | Low | 136 Ų | 136 | 41.1 Ų | 41.1 | 59% | 0.591 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 53.5 | 101.1 | 168.1 | -109.1 | -166.6 | 177.8 | -172.6 | 0 | 115 | K360 K400 K401 | K360-K380 WeakPolarHBondContact CG-O 3.46Å; K380-K400 PolarHBondContact N-O 3.23Å; K380-K401 CarbonylContact C-O 2.86Å; K380-K401 VanDerWaalsContact CA-O 3.31Å; K380-K401 WeakPolarHBondContact CA-O 3.39Å; K380-K401 HydrophobicContact CG-CB 4.43Å; K380-K401 HydrophobicContact CG-CD 4.38Å; K380-K401 PolarHBondContact N-O 2.71Å |
| 381 | G | 50.9 | Low | 62 | Low | 34 Ų | 34 | 41.5 Ų | 41.5 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 71.3 | 72.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | K360 G361 K401 | K360-G381 CarbonylContact C-O 3.48Å; K360-G381 WeakPolarHBondContact CA-O 3.47Å; G361-G381 PolarHBondContact N-O 3.43Å; G381-K401 PolarHBondContact N-O 3.03Å |
| 382 | V | 51.9 | Low | 61.7 | Low | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | trans | -150.6 | 84.6 | -179.4 | -178.7 | 0 | 0 | 0 | 0 | 105 | G361 A364 A385 | G361-V382 WeakPolarHBondContact O-CA 3.38Å; G361-V382 WeakPolarHBondContact O-CG1 3.45Å; G361-V382 WeakPolarHBondContact O-CG2 3.32Å; A364-V382 HydrophobicContact CB-CG1 3.67Å; V382-A385 HydrophobicContact CG1-CB 3.89Å | ||
| 383 | E | 55 | Low | 61.4 | Low | 70 Ų | 70 | 42.4 Ų | 42.4 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 153.7 | 168.3 | -71.5 | 91.9 | -88.4 | 0 | 0 | 111.1 | G363 A385 E403 | G363-E383 PolarHBondContact N-O 3.3Å; G363-E383 VanDerWaalsContact N-O 3.15Å; E383-A385 VanDerWaalsContact C-N 3.27Å; E383-A385 PolarHBondContact O-N 3.28Å; E383-E403 HydrophobicContact CG-CB 4.16Å |
| 384 | G | 55.6 | Low | 61.2 | Low | 39 Ų | 39 | 43.5 Ų | 43.5 | 40% | 0.402 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 20.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q386 E403 | G384-Q386 PolarHBondContact O-N 2.99Å; G384-Q386 VanDerWaalsContact O-N 3.11Å; G384-E403 PolarHBondContact N-O 2.9Å |
| 385 | A | 61 | Low | 61 | Low | 6 Ų | 6 | 43.7 Ų | 43.7 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | trans | -63.1 | 112 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A378 V382 E383 Q406 | A378-A385 HydrophobicContact CB-CB 4.11Å; V382-A385 HydrophobicContact CG1-CB 3.89Å; E383-A385 VanDerWaalsContact C-N 3.27Å; E383-A385 PolarHBondContact O-N 3.28Å; A385-Q406 PolarHBondContact O-N 3.46Å; A385-Q406 VanDerWaalsContact O-N 3.15Å | ||
| 386 | Q | 65.1 | Low | 60.7 | Low | 55 Ų | 55 | 43.9 Ų | 43.9 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.9 | 178.7 | -70.2 | -168.8 | -20.1 | 0 | 0 | 112.2 | A364 Q365 N366 G384 Q406 | A364-Q386 PolarHBondContact O-N 3.25Å; A364-Q386 VanDerWaalsContact O-N 3.17Å; Q365-Q386 WeakPolarHBondContact CA-O 3.34Å; Q365-Q386 HydrophobicContact CG-CB 4.42Å; N366-Q386 PolarHBondContact N-O 2.91Å; G384-Q386 PolarHBondContact O-N 2.99Å; G384-Q386 VanDerWaalsContact O-N 3.11Å; Q386-Q406 WeakPolarHBondContact CA-O 3.49Å; Q386-Q406 HydrophobicContact CG-CB 4.34Å |
| 387 | N | 65.7 | Low | 60.3 | Low | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.059 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.3 | 171.1 | -41.3 | -84.2 | 0 | 0 | 0 | 111 | N366 N376 Q406 N407 Q408 | N366-N387 PolarHBondContact ND2-OD1 3.47Å; N366-N387 CarbonylContact O-C 3.53Å; N366-N387 WeakPolarHBondContact O-CA 3.36Å; N376-N387 HydrophobicContact CB-CB 4.33Å; N387-Q406 PolarHBondContact N-O 2.85Å; N387-N407 WeakPolarHBondContact CB-OD1 3.16Å; N387-N407 PolarHBondContact ND2-OD1 3.39Å; N387-N407 WeakPolarHBondContact O-CA 3.43Å; N387-Q408 PolarHBondContact O-N 2.99Å; N387-Q408 VanDerWaalsContact O-N 3.09Å |
| 388 | Q | 64.9 | Low | 59.9 | Low | 43 Ų | 43 | 44.7 Ų | 44.7 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.7 | -179 | -60.3 | -171.3 | 16.3 | 0 | 0 | 112.9 | N366 Q367 A368 Q408 | N366-Q388 PolarHBondContact O-N 2.98Å; Q367-Q388 HydrophobicContact CG-CB 4.36Å; A368-Q388 PolarHBondContact N-O 3.39Å; Q388-Q408 WeakPolarHBondContact CA-O 3.35Å |
| 389 | G | 61.6 | Low | 59.6 | Low | 7 Ų | 7 | 46 Ų | 46 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q408 T409 K410 | G389-Q408 PolarHBondContact N-O 3.34Å; G389-T409 WeakPolarHBondContact O-CA 3.19Å; G389-K410 PolarHBondContact O-N 3.13Å |
| 390 | K | 62.7 | Low | 59.2 | Low | 72 Ų | 72 | 46.2 Ų | 46.2 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -99.5 | -33.3 | -176.7 | -63.2 | -169.2 | 179.2 | -179.2 | 0 | 115.3 | A368 K369 | A368-K390 PolarHBondContact O-N 2.69Å; A368-K390 VanDerWaalsContact O-N 3.12Å; K369-K390 HydrophobicContact CG-CD 4.49Å |
| 391 | K | 59.7 | Low | 59 | Low | 118 Ų | 118 | 45.2 Ų | 45.2 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -160.6 | 142.4 | 168.7 | -82.2 | -159.6 | 173.7 | -158.4 | 0 | 108.5 | K370 K411 | K370-K391 WeakPolarHBondContact CA-O 3.38Å; K370-K391 HydrophobicContact CG-CB 4.42Å; K391-K411 HydrophobicContact CG-CB 4.37Å |
| 392 | G | 53.9 | Low | 58.9 | Low | 25 Ų | 25 | 44.5 Ų | 44.5 | 26% | 0.258 | 25% | 0.245 | S | C | . | . | trans | 149 | 153.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 393 | E | 54.8 | Low | 58.8 | Low | 105 Ų | 105 | 48.6 Ų | 48.6 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -81.1 | 155.8 | 172.4 | -72.2 | 146.5 | -127.5 | 0 | 0 | 111.4 | E372 N395 | E372-E393 HydrophobicContact CG-CB 4.22Å; E393-N395 PolarHBondContact O-N 2.84Å |
| 394 | A | 54.7 | Low | 58.6 | Low | 62 Ų | 62 | 46.8 Ų | 46.8 | 51% | 0.512 | 26% | 0.264 | S | S | . | . | trans | 53.5 | 38.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q396 E413 | A394-Q396 PolarHBondContact O-N 2.75Å; A394-Q396 VanDerWaalsContact O-N 3.17Å; A394-E413 PolarHBondContact N-O 3.31Å | ||
| 395 | N | 60 | Low | 58.5 | Low | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | trans | -70.2 | 107.1 | 174.9 | -178.4 | 30.6 | 0 | 0 | 0 | 111.6 | V374 N376 E393 Q416 | V374-N395 WeakPolarHBondContact CG1-OD1 3.27Å; V374-N395 WeakPolarHBondContact O-CA 3.31Å; N376-N395 PolarHBondContact ND2-OD1 3.42Å; E393-N395 PolarHBondContact O-N 2.84Å; N395-Q416 PolarHBondContact O-N 3.29Å | ||
| 396 | Q | 64.4 | Low | 58.4 | Low | 49 Ų | 49 | 49.2 Ų | 49.2 | 23% | 0.229 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.7 | -176.6 | -171 | -170.9 | 89.3 | 0 | 0 | 112.8 | V374 Q375 N376 A394 Q416 | V374-Q396 PolarHBondContact O-N 3.04Å; Q375-Q396 WeakPolarHBondContact CA-O 3.18Å; Q375-Q396 HydrophobicContact CG-CB 4.45Å; N376-Q396 PolarHBondContact N-O 2.89Å; A394-Q396 PolarHBondContact O-N 2.75Å; A394-Q396 VanDerWaalsContact O-N 3.17Å; Q396-Q416 WeakPolarHBondContact CA-O 3.48Å |
| 397 | N | 63.5 | Low | 58.1 | Low | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 137.9 | 177 | -62.8 | -33.7 | 0 | 0 | 0 | 111.7 | N376 N407 Q416 N417 Q418 | N376-N397 WeakPolarHBondContact CB-OD1 3.19Å; N376-N397 PolarHBondContact ND2-OD1 3.42Å; N376-N397 CarbonylContact O-C 3.3Å; N376-N397 WeakPolarHBondContact O-CA 3.29Å; N397-N407 VanDerWaalsContact ND2-CG 3.31Å; N397-N407 PolarHBondContact ND2-ND2 3.06Å; N397-N407 PolarHBondContact ND2-OD1 3.38Å; N397-Q416 PolarHBondContact N-O 2.99Å; N397-N417 WeakPolarHBondContact O-CA 3.07Å; N397-N417 PolarHBondContact O-OD1 3.09Å; N397-Q418 PolarHBondContact O-N 3.38Å |
| 398 | Q | 62.3 | Low | 57.9 | Low | 29 Ų | 29 | 49.2 Ų | 49.2 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 124.3 | 176.4 | -57.5 | -170.7 | 16.6 | 0 | 0 | 112.9 | N376 Q377 A378 Q418 | N376-Q398 PolarHBondContact O-N 2.92Å; Q377-Q398 WeakPolarHBondContact CA-O 3.5Å; Q377-Q398 HydrophobicContact CG-CB 4.3Å; A378-Q398 PolarHBondContact N-O 2.92Å; Q398-Q418 WeakPolarHBondContact CA-O 3.17Å; Q398-Q418 HydrophobicContact CG-CB 4.42Å |
| 399 | A | 59.9 | Low | 57.6 | Low | 34 Ų | 34 | 47.5 Ų | 47.5 | 28% | 0.281 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q418 K420 | A399-Q418 PolarHBondContact N-O 3.15Å; A399-K420 PolarHBondContact O-N 2.97Å |
| 400 | K | 58.1 | Low | 57.7 | Low | 53 Ų | 53 | 52.5 Ų | 52.5 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 82.1 | -174 | -66 | 170.2 | -174.8 | 159.2 | 0 | 111.1 | A378 K379 K380 K420 | A378-K400 PolarHBondContact O-N 2.86Å; K379-K400 HydrophobicContact CG-CB 4.47Å; K379-K400 HydrophobicContact CG-CD 4.32Å; K380-K400 PolarHBondContact N-O 3.23Å; K400-K420 HydrophobicContact CG-CD 4.19Å; K400-K420 HydrophobicContact CG-CG 4.31Å |
| 401 | K | 53.1 | Low | 57.4 | Low | 115 Ų | 115 | 54.3 Ų | 54.3 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 67.3 | 100.2 | -173.7 | -66.7 | -169.1 | 171.6 | -157.7 | 0 | 114.3 | K380 G381 K421 | K380-K401 CarbonylContact C-O 2.86Å; K380-K401 VanDerWaalsContact CA-O 3.31Å; K380-K401 WeakPolarHBondContact CA-O 3.39Å; K380-K401 HydrophobicContact CG-CB 4.43Å; K380-K401 HydrophobicContact CG-CD 4.38Å; K380-K401 PolarHBondContact N-O 2.71Å; G381-K401 PolarHBondContact N-O 3.03Å; K401-K421 WeakPolarHBondContact CA-O 2.97Å; K401-K421 HydrophobicContact CG-CB 3.99Å; K401-K421 PolarHBondContact N-O 3.1Å |
| 402 | G | 48.5 | Very low | 57.2 | Low | 19 Ų | 19 | 49.7 Ų | 49.7 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | trans | 179.8 | 152.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G422 | G402-G422 WeakPolarHBondContact O-CA 3.46Š| ||
| 403 | E | 50.8 | Low | 57.4 | Low | 91 Ų | 91 | 54 Ų | 54 | 43% | 0.425 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -84.5 | 151.4 | 177.2 | -67.3 | 98.4 | -117.9 | 0 | 0 | 112.4 | E383 G384 E423 | E383-E403 HydrophobicContact CG-CB 4.16Å; G384-E403 PolarHBondContact N-O 2.9Å; E403-E423 HydrophobicContact CB-CB 4.48Å; E403-E423 HydrophobicContact CG-CB 4.23Å; E403-E423 HydrophobicContact CG-CG 4.1Å |
| 404 | G | 51.1 | Low | 57.3 | Low | 32 Ų | 32 | 51 Ų | 51 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | trans | 70.4 | 43.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q406 E423 | G404-Q406 PolarHBondContact O-N 3.46Å; G404-E423 PolarHBondContact N-O 3.02Å | ||
| 405 | G | 52.8 | Low | 57.5 | Low | 20 Ų | 20 | 48.2 Ų | 48.2 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | trans | -78.2 | 110.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q426 | G405-Q426 PolarHBondContact O-N 2.96Š| ||
| 406 | Q | 59.2 | Low | 57.5 | Low | 77 Ų | 77 | 49.8 Ų | 49.8 | 36% | 0.36 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.3 | 178.3 | -68.8 | -176.1 | -2.3 | 0 | 0 | 113 | A385 Q386 N387 G404 | A385-Q406 PolarHBondContact O-N 3.46Å; A385-Q406 VanDerWaalsContact O-N 3.15Å; Q386-Q406 WeakPolarHBondContact CA-O 3.49Å; Q386-Q406 HydrophobicContact CG-CB 4.34Å; N387-Q406 PolarHBondContact N-O 2.85Å; G404-Q406 PolarHBondContact O-N 3.46Å |
| 407 | N | 59.3 | Low | 57.4 | Low | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.3 | 170.4 | -71.7 | -21.5 | 0 | 0 | 0 | 111.7 | N387 N397 N417 Q426 K427 Q428 | N387-N407 WeakPolarHBondContact CB-OD1 3.16Å; N387-N407 PolarHBondContact ND2-OD1 3.39Å; N387-N407 WeakPolarHBondContact O-CA 3.43Å; N397-N407 VanDerWaalsContact ND2-CG 3.31Å; N397-N407 PolarHBondContact ND2-ND2 3.06Å; N397-N407 PolarHBondContact ND2-OD1 3.38Å; N407-N417 PolarHBondContact ND2-OD1 2.85Å; N407-Q426 PolarHBondContact N-O 2.91Å; N407-K427 HydrophobicContact CB-CG 4.3Å; N407-K427 WeakPolarHBondContact O-CA 3.43Å; N407-Q428 PolarHBondContact O-N 3.36Å |
| 408 | Q | 59.8 | Low | 57.2 | Low | 61 Ų | 61 | 50.4 Ų | 50.4 | 29% | 0.285 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 131 | 172.2 | -59.9 | -171.3 | 18.5 | 0 | 0 | 112 | N387 Q388 G389 Q428 | N387-Q408 PolarHBondContact O-N 2.99Å; N387-Q408 VanDerWaalsContact O-N 3.09Å; Q388-Q408 WeakPolarHBondContact CA-O 3.35Å; G389-Q408 PolarHBondContact N-O 3.34Å; Q408-Q428 WeakPolarHBondContact CA-O 3.1Å; Q408-Q428 HydrophobicContact CG-CB 4.47Å |
| 409 | T | 59.5 | Low | 56.9 | Low | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.7 | 179.1 | -26.8 | 0 | 0 | 0 | 0 | 110.8 | G389 P415 Q428 D429 K430 I432 | G389-T409 WeakPolarHBondContact O-CA 3.19Å; T409-P415 HydrophobicContact CG2-CB 4.24Å; T409-P415 HydrophobicContact CG2-CG 4.48Å; T409-Q428 PolarHBondContact N-O 2.69Å; T409-D429 WeakPolarHBondContact CB-OD1 3.33Å; T409-D429 PolarHBondContact N-OD1 3.03Å; T409-D429 PolarHBondContact OG1-OD1 3.02Å; T409-K430 PolarHBondContact O-N 3.26Å; T409-K430 VanDerWaalsContact O-N 3.12Å; T409-I432 VanDerWaalsContact CB-CD1 3.4Å; T409-I432 HydrophobicContact CG2-CD1 3.51Å |
| 410 | K | 62.6 | Low | 56.7 | Low | 112 Ų | 112 | 53.3 Ų | 53.3 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -97.4 | -20 | -173 | -77.5 | -162.6 | 177.2 | -168.8 | 0 | 116.6 | G389 K430 | G389-K410 PolarHBondContact O-N 3.13Å; K410-K430 CarbonylContact C-O 3.57Å |
| 411 | K | 57.8 | Low | 56.4 | Low | 110 Ų | 110 | 56 Ų | 56 | 48% | 0.478 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -172 | 147.8 | 168.9 | -76.7 | -155.3 | 178.7 | -171.4 | 0 | 107.6 | K391 | K391-K411 HydrophobicContact CG-CB 4.37Š|
| 412 | G | 55.5 | Low | 56.2 | Low | 21 Ų | 21 | 51.5 Ų | 51.5 | 22% | 0.216 | 28% | 0.281 | C | S | . | . | trans | 141.4 | 162 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I432 | G412-I432 WeakPolarHBondContact O-CG1 3.43Å; G412-I432 WeakPolarHBondContact O-CG2 2.91Å | ||
| 413 | E | 56.9 | Low | 56.2 | Low | 116 Ų | 116 | 56.1 Ų | 56.1 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -101.6 | 150.2 | -176.6 | -73.3 | 154.9 | -129 | 0 | 0 | 112.5 | A394 P415 | A394-E413 PolarHBondContact N-O 3.31Å; E413-P415 WeakPolarHBondContact O-CD 3.09Å |
| 414 | G | 53.1 | Low | 56.2 | Low | 41 Ų | 41 | 53.6 Ų | 53.6 | 42% | 0.423 | 29% | 0.292 | S | S | . | . | trans | 55.9 | 29.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q416 E433 | G414-Q416 PolarHBondContact O-N 3.1Å; G414-E433 PolarHBondContact N-O 2.76Å | ||
| 415 | P | 58.4 | Low | 56.4 | Low | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | trans | -66.7 | 109.9 | -176.7 | 26.7 | -33.7 | 0 | 0 | 0 | 111.8 | T409 E413 K427 I432 | T409-P415 HydrophobicContact CG2-CB 4.24Å; T409-P415 HydrophobicContact CG2-CG 4.48Å; E413-P415 WeakPolarHBondContact O-CD 3.09Å; P415-K427 WeakPolarHBondContact O-CE 3.27Å; P415-K427 PolarHBondContact O-NZ 2.93Å; P415-I432 HydrophobicContact CG-CD1 4.08Å; P415-I432 HydrophobicContact CG-CG2 3.6Å | ||
| 416 | Q | 60.6 | Low | 56.7 | Low | 43 Ų | 43 | 56 Ų | 56 | 20% | 0.201 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.3 | -171.8 | -170.5 | -172.6 | 78.8 | 0 | 0 | 112.3 | N395 Q396 N397 G414 Q436 | N395-Q416 PolarHBondContact O-N 3.29Å; Q396-Q416 WeakPolarHBondContact CA-O 3.48Å; N397-Q416 PolarHBondContact N-O 2.99Å; G414-Q416 PolarHBondContact O-N 3.1Å; Q416-Q436 HydrophobicContact CG-CB 4.23Å |
| 417 | N | 62.2 | Low | 56.8 | Low | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.6 | 175.1 | -175 | 47 | 0 | 0 | 0 | 112.2 | N397 N407 Q436 N437 Q438 | N397-N417 WeakPolarHBondContact O-CA 3.07Å; N397-N417 PolarHBondContact O-OD1 3.09Å; N407-N417 PolarHBondContact ND2-OD1 2.85Å; N417-Q436 PolarHBondContact N-O 2.91Å; N417-N437 WeakPolarHBondContact CB-OD1 3.25Å; N417-N437 PolarHBondContact ND2-OD1 2.7Å; N417-Q438 PolarHBondContact O-N 3.3Å |
| 418 | Q | 58.8 | Low | 56.8 | Low | 60 Ų | 60 | 56 Ų | 56 | 28% | 0.28 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 113.8 | 179.8 | -59.1 | -170.7 | 17.6 | 0 | 0 | 113.1 | N397 Q398 A399 Q438 | N397-Q418 PolarHBondContact O-N 3.38Å; Q398-Q418 WeakPolarHBondContact CA-O 3.17Å; Q398-Q418 HydrophobicContact CG-CB 4.42Å; A399-Q418 PolarHBondContact N-O 3.15Å; Q418-Q438 WeakPolarHBondContact CA-O 3.39Å |
| 419 | G | 56 | Low | 56.7 | Low | 18 Ų | 18 | 53.8 Ų | 53.8 | 19% | 0.186 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q438 K440 | G419-Q438 PolarHBondContact N-O 3.11Å; G419-K440 PolarHBondContact O-N 3.36Å |
| 420 | K | 57.6 | Low | 56.8 | Low | 106 Ų | 106 | 57.9 Ų | 57.9 | 46% | 0.461 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -91.6 | -30.9 | 176.8 | -70.4 | -161.4 | -180 | -175.8 | 0 | 115.1 | A399 K400 | A399-K420 PolarHBondContact O-N 2.97Å; K400-K420 HydrophobicContact CG-CD 4.19Å; K400-K420 HydrophobicContact CG-CG 4.31Å |
| 421 | K | 51.4 | Low | 56.6 | Low | 110 Ų | 110 | 58.5 Ų | 58.5 | 48% | 0.478 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -169.9 | 138.8 | 176.9 | -107.8 | -161.3 | 171.6 | -136.2 | 0 | 107.5 | K401 K441 | K401-K421 WeakPolarHBondContact CA-O 2.97Å; K401-K421 HydrophobicContact CG-CB 3.99Å; K401-K421 PolarHBondContact N-O 3.1Å; K421-K441 WeakPolarHBondContact CA-O 3.48Å; K421-K441 HydrophobicContact CG-CB 4.19Å |
| 422 | G | 47.6 | Very low | 56.3 | Low | 20 Ų | 20 | 53.6 Ų | 53.6 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.2 | 149.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G402 | G402-G422 WeakPolarHBondContact O-CA 3.46Å |
| 423 | E | 49.7 | Very low | 56.4 | Low | 117 Ų | 117 | 56.6 Ų | 56.6 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 145.2 | 174 | -61.2 | 178.1 | 176.4 | 0 | 0 | 111.7 | E403 G404 | E403-E423 HydrophobicContact CB-CB 4.48Å; E403-E423 HydrophobicContact CG-CB 4.23Å; E403-E423 HydrophobicContact CG-CG 4.1Å; G404-E423 PolarHBondContact N-O 3.02Å |
| 424 | A | 49.5 | Very low | 56.3 | Low | 37 Ų | 37 | 52.6 Ų | 52.6 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.5 | 80.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q426 E443 | A424-Q426 PolarHBondContact O-N 2.62Å; A424-E443 PolarHBondContact N-O 2.96Å |
| 425 | A | 55.9 | Low | 56.7 | Low | 18 Ų | 18 | 51.1 Ų | 51.1 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 100.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G444 T445 S446 | A425-G444 PolarHBondContact N-O 2.67Å; A425-G444 VanDerWaalsContact N-O 3.1Å; A425-T445 HydrophobicContact CB-CG2 4.36Å; A425-S446 PolarHBondContact O-N 2.83Å; A425-S446 VanDerWaalsContact O-N 3.11Å |
| 426 | Q | 58.9 | Low | 56.9 | Low | 84 Ų | 84 | 53.6 Ų | 53.6 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138.1 | -178.3 | -65.1 | -169.4 | 9.6 | 0 | 0 | 113 | G405 N407 A424 | G405-Q426 PolarHBondContact O-N 2.96Å; N407-Q426 PolarHBondContact N-O 2.91Å; A424-Q426 PolarHBondContact O-N 2.62Å |
| 427 | K | 61.5 | Low | 57 | Low | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 123.1 | 177.5 | -158.8 | -170.2 | -172.3 | -145.7 | 0 | 111.3 | N407 P415 D429 S446 Q448 | N407-K427 HydrophobicContact CB-CG 4.3Å; N407-K427 WeakPolarHBondContact O-CA 3.43Å; P415-K427 WeakPolarHBondContact O-CE 3.27Å; P415-K427 PolarHBondContact O-NZ 2.93Å; K427-D429 WeakPolarHBondContact CD-OD2 3.47Å; K427-D429 WeakPolarHBondContact CE-OD2 3.43Å; K427-D429 IonicContact NZ-OD2 2.81Å; K427-D429 PolarHBondContact NZ-OD2 3.2Å; K427-S446 PolarHBondContact N-O 3.12Å; K427-Q448 PolarHBondContact O-N 2.88Å |
| 428 | Q | 59.9 | Low | 56.9 | Low | 80 Ų | 80 | 54 Ų | 54 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 112.8 | 174 | -67.9 | -171 | 7.9 | 0 | 0 | 111 | N407 Q408 T409 Q448 | N407-Q428 PolarHBondContact O-N 3.36Å; Q408-Q428 WeakPolarHBondContact CA-O 3.1Å; Q408-Q428 HydrophobicContact CG-CB 4.47Å; T409-Q428 PolarHBondContact N-O 2.69Å; Q428-Q448 HydrophobicContact CG-CB 4.48Å |
| 429 | D | 58.2 | Low | 56.8 | Low | 13 Ų | 13 | 51.4 Ų | 51.4 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 142.3 | -174.9 | -70.1 | -25.6 | 0 | 0 | 0 | 111.8 | T409 K427 I432 Q448 | T409-D429 WeakPolarHBondContact CB-OD1 3.33Å; T409-D429 PolarHBondContact N-OD1 3.03Å; T409-D429 PolarHBondContact OG1-OD1 3.02Å; K427-D429 WeakPolarHBondContact CD-OD2 3.47Å; K427-D429 WeakPolarHBondContact CE-OD2 3.43Å; K427-D429 IonicContact NZ-OD2 2.81Å; K427-D429 PolarHBondContact NZ-OD2 3.2Å; D429-I432 HydrophobicContact CB-CB 4.36Å; D429-I432 HydrophobicContact CB-CD1 4.03Å; D429-I432 HydrophobicContact CB-CG1 4.42Å; D429-Q448 PolarHBondContact N-O 3.43Å; D429-Q448 VanDerWaalsContact N-O 3.17Å |
| 430 | K | 61.6 | Low | 56.9 | Low | 93 Ų | 93 | 56.3 Ų | 56.3 | 40% | 0.404 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -124.6 | 96.3 | -177.6 | -70.1 | 174.8 | -178.6 | 168 | 0 | 111.1 | T409 K410 | T409-K430 PolarHBondContact O-N 3.26Å; T409-K430 VanDerWaalsContact O-N 3.12Å; K410-K430 CarbonylContact C-O 3.57Å |
| 431 | K | 56.8 | Low | 56.7 | Low | 126 Ų | 126 | 54.7 Ų | 54.7 | 55% | 0.548 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 65.1 | 83.5 | -178.4 | -155.4 | -157.9 | -175.7 | -145 | 0 | 112.6 | K451 | K431-K451 VanDerWaalsContact CA-O 3.28Å; K431-K451 WeakPolarHBondContact CA-O 3.41Å; K431-K451 HydrophobicContact CG-CB 4.41Å; K431-K451 PolarHBondContact N-O 3.48Å |
| 432 | I | 52.9 | Low | 56.7 | Low | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | trans | -152.8 | 138.3 | -171.6 | -70.7 | -164.1 | 0 | 0 | 0 | 109.6 | T409 G412 P415 D429 G452 | T409-I432 VanDerWaalsContact CB-CD1 3.4Å; T409-I432 HydrophobicContact CG2-CD1 3.51Å; G412-I432 WeakPolarHBondContact O-CG1 3.43Å; G412-I432 WeakPolarHBondContact O-CG2 2.91Å; P415-I432 HydrophobicContact CG-CD1 4.08Å; P415-I432 HydrophobicContact CG-CG2 3.6Å; D429-I432 HydrophobicContact CB-CB 4.36Å; D429-I432 HydrophobicContact CB-CD1 4.03Å; D429-I432 HydrophobicContact CB-CG1 4.42Å; I432-G452 WeakPolarHBondContact O-CA 3.32Å | ||
| 433 | E | 56.2 | Low | 56.9 | Low | 83 Ų | 83 | 52.1 Ų | 52.1 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -97.2 | 154.4 | 165.6 | -65.3 | 104 | -111 | 0 | 0 | 112.1 | G414 E453 | G414-E433 PolarHBondContact N-O 2.76Å; E433-E453 HydrophobicContact CG-CB 4.44Å |
| 434 | G | 55.9 | Low | 57.2 | Low | 33 Ų | 33 | 47.7 Ų | 47.7 | 34% | 0.34 | 25% | 0.246 | S | C | . | . | trans | 72.2 | 34.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q436 E453 | G434-Q436 PolarHBondContact O-N 3.29Å; G434-Q436 VanDerWaalsContact O-N 3.13Å; G434-E453 PolarHBondContact N-O 2.91Å | ||
| 435 | A | 60.5 | Low | 57.6 | Low | 10 Ų | 10 | 46.2 Ų | 46.2 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | trans | -71.6 | 103.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | G454 Q456 | A435-G454 PolarHBondContact N-O 3.07Å; A435-Q456 PolarHBondContact O-N 2.95Å | ||
| 436 | Q | 62.4 | Low | 57.9 | Low | 55 Ų | 55 | 46.4 Ų | 46.4 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.4 | -179.6 | -70.5 | -165.5 | -11.4 | 0 | 0 | 115.1 | Q416 N417 G434 Q456 | Q416-Q436 HydrophobicContact CG-CB 4.23Å; N417-Q436 PolarHBondContact N-O 2.91Å; G434-Q436 PolarHBondContact O-N 3.29Å; G434-Q436 VanDerWaalsContact O-N 3.13Å; Q436-Q456 HydrophobicContact CG-CB 4.36Å |
| 437 | N | 62.9 | Low | 58 | Low | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.011 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 120.4 | 175.8 | -138.4 | -18 | 0 | 0 | 0 | 110 | N417 N447 Q456 N457 Q458 | N417-N437 WeakPolarHBondContact CB-OD1 3.25Å; N417-N437 PolarHBondContact ND2-OD1 2.7Å; N437-N447 PolarHBondContact ND2-OD1 3.47Å; N437-Q456 PolarHBondContact N-O 2.83Å; N437-N457 WeakPolarHBondContact CB-OD1 2.97Å; N437-N457 WeakPolarHBondContact O-CA 3.16Å; N437-Q458 PolarHBondContact O-N 3.4Å |
| 438 | Q | 60.6 | Low | 58 | Low | 59 Ų | 59 | 46.3 Ų | 46.3 | 28% | 0.276 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 119 | -175.5 | -60.8 | -168.4 | 20.1 | 0 | 0 | 112.8 | N417 Q418 G419 Q458 | N417-Q438 PolarHBondContact O-N 3.3Å; Q418-Q438 WeakPolarHBondContact CA-O 3.39Å; G419-Q438 PolarHBondContact N-O 3.11Å; Q438-Q458 HydrophobicContact CG-CB 4.45Å |
| 439 | G | 57.4 | Low | 57.9 | Low | 5 Ų | 5 | 43.8 Ų | 43.8 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q458 K460 | G439-Q458 PolarHBondContact N-O 2.85Å; G439-K460 PolarHBondContact O-N 2.93Å |
| 440 | K | 57.9 | Low | 58 | Low | 121 Ų | 121 | 49.5 Ų | 49.5 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -75.7 | -39.4 | 168.9 | -69.1 | -157.7 | 177.7 | -162.8 | 0 | 112.3 | G419 K461 | G419-K440 PolarHBondContact O-N 3.36Å; K440-K461 PolarHBondContact O-N 3.23Å |
| 441 | K | 53.2 | Low | 57.7 | Low | 72 Ų | 72 | 50.8 Ų | 50.8 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -153.9 | 80.9 | 174.2 | -143.4 | -163 | 168.6 | -63.4 | 0 | 110.1 | K421 E443 K461 | K421-K441 WeakPolarHBondContact CA-O 3.48Å; K421-K441 HydrophobicContact CG-CB 4.19Å; K441-E443 IonicContact NZ-OE1 2.64Å; K441-E443 PolarHBondContact NZ-OE1 3.31Å; K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.38Å; K441-K461 HydrophobicContact CG-CB 4.13Å; K441-K461 WeakPolarHBondContact CG-O 3.24Å |
| 442 | P | 51.9 | Low | 57.4 | Low | 10 Ų | 10 | 45.9 Ų | 45.9 | 7% | 0.065 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 141 | 171.4 | 36 | -30 | 0 | 0 | 0 | 110.9 | T445 G462 E463 | P442-T445 HydrophobicContact CB-CG2 3.6Å; P442-T445 HydrophobicContact CG-CG2 3.7Å; P442-G462 WeakPolarHBondContact O-CA 3.33Å; P442-E463 PolarHBondContact O-N 3Å |
| 443 | E | 51.9 | Low | 57.6 | Low | 65 Ų | 65 | 49.8 Ų | 49.8 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 84.6 | 155.6 | -67.1 | 81.1 | -153 | 0 | 0 | 106 | A424 K441 | A424-E443 PolarHBondContact N-O 2.96Å; K441-E443 IonicContact NZ-OE1 2.64Å; K441-E443 PolarHBondContact NZ-OE1 3.31Å |
| 444 | G | 55.3 | Low | 57.7 | Low | 24 Ų | 24 | 47.3 Ų | 47.3 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.6 | 123.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | A425 E463 G464 | A425-G444 PolarHBondContact N-O 2.67Å; A425-G444 VanDerWaalsContact N-O 3.1Å; G444-E463 WeakPolarHBondContact CA-O 2.93Å; G444-E463 PolarHBondContact N-O 2.94Å; G444-G464 WeakPolarHBondContact CA-O 3.36Å |
| 445 | T | 58.5 | Low | 58 | Low | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128 | 162.8 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | A425 P442 G464 Q466 | A425-T445 HydrophobicContact CB-CG2 4.36Å; P442-T445 HydrophobicContact CB-CG2 3.6Å; P442-T445 HydrophobicContact CG-CG2 3.7Å; T445-G464 PolarHBondContact N-O 2.93Å; T445-Q466 PolarHBondContact O-N 3.15Å |
| 446 | S | 61.5 | Low | 58.2 | Low | 21 Ų | 21 | 49.1 Ų | 49.1 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.6 | -177.9 | -171.2 | 0 | 0 | 0 | 0 | 113.2 | A425 K427 Q466 | A425-S446 PolarHBondContact O-N 2.83Å; A425-S446 VanDerWaalsContact O-N 3.11Å; K427-S446 PolarHBondContact N-O 3.12Å; S446-Q466 WeakPolarHBondContact CA-O 3.41Å |
| 447 | N | 61.9 | Low | 58.4 | Low | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.5 | 168.5 | -57.6 | -38.4 | 0 | 0 | 0 | 110.1 | N437 N457 Q466 N467 Q468 | N437-N447 PolarHBondContact ND2-OD1 3.47Å; N447-N457 PolarHBondContact ND2-OD1 2.99Å; N447-Q466 PolarHBondContact N-O 2.85Å; N447-N467 PolarHBondContact ND2-OD1 3.31Å; N447-Q468 PolarHBondContact O-N 3.49Å |
| 448 | Q | 61.5 | Low | 58.3 | Low | 78 Ų | 78 | 49.6 Ų | 49.6 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 116.6 | 173 | -65 | -174.5 | -4.8 | 0 | 0 | 111.1 | K427 Q428 D429 Q468 | K427-Q448 PolarHBondContact O-N 2.88Å; Q428-Q448 HydrophobicContact CG-CB 4.48Å; D429-Q448 PolarHBondContact N-O 3.43Å; D429-Q448 VanDerWaalsContact N-O 3.17Å; Q448-Q468 HydrophobicContact CG-CB 4.44Å |
| 449 | G | 57.7 | Low | 58.2 | Low | 27 Ų | 27 | 47.5 Ų | 47.5 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q468 K470 | G449-Q468 PolarHBondContact N-O 3.01Å; G449-K470 PolarHBondContact O-N 2.86Å |
| 450 | K | 58.6 | Low | 58.2 | Low | 132 Ų | 132 | 52.5 Ų | 52.5 | 57% | 0.574 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -79.9 | -36.2 | 172.5 | -76.6 | -161.2 | 176.3 | -167.3 | 0 | 113.7 | ||
| 451 | K | 55.6 | Low | 58.2 | Low | 121 Ų | 121 | 52.7 Ų | 52.7 | 53% | 0.526 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -154.7 | 140.6 | 172.4 | -76.2 | -166.7 | 176.2 | -168 | 0 | 106.4 | K431 K471 | K431-K451 VanDerWaalsContact CA-O 3.28Å; K431-K451 WeakPolarHBondContact CA-O 3.41Å; K431-K451 HydrophobicContact CG-CB 4.41Å; K431-K451 PolarHBondContact N-O 3.48Å; K451-K471 WeakPolarHBondContact CA-O 3.36Å |
| 452 | G | 51.9 | Low | 58.1 | Low | 23 Ų | 23 | 50 Ų | 50 | 24% | 0.237 | 27% | 0.271 | C | S | . | . | trans | 150.9 | 148.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | I432 G472 | I432-G452 WeakPolarHBondContact O-CA 3.32Å; G452-G472 WeakPolarHBondContact O-CA 3.42Å | ||
| 453 | E | 57.1 | Low | 58.3 | Low | 88 Ų | 88 | 53.6 Ų | 53.6 | 41% | 0.411 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -100 | 154.4 | 179.3 | -62.4 | 107 | -112.7 | 0 | 0 | 112.8 | E433 G434 E473 | E433-E453 HydrophobicContact CG-CB 4.44Å; G434-E453 PolarHBondContact N-O 2.91Å; E453-E473 WeakPolarHBondContact CA-O 3.43Å; E453-E473 HydrophobicContact CG-CB 4.47Å |
| 454 | G | 57 | Low | 58.6 | Low | 31 Ų | 31 | 52.1 Ų | 52.1 | 32% | 0.32 | 29% | 0.29 | S | S | . | . | trans | 70.5 | 48.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A435 E473 G474 | A435-G454 PolarHBondContact N-O 3.07Å; G454-E473 PolarHBondContact N-O 3.17Å; G454-E473 VanDerWaalsContact N-O 3.07Å; G454-G474 WeakPolarHBondContact CA-O 3.32Å | ||
| 455 | A | 62.7 | Low | 58.8 | Low | 26 Ų | 26 | 51.6 Ų | 51.6 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G474 Q476 | A455-G474 PolarHBondContact N-O 2.97Å; A455-G474 VanDerWaalsContact N-O 3.14Å; A455-Q476 PolarHBondContact O-N 3.41Å |
| 456 | Q | 64.7 | Low | 59.1 | Low | 56 Ų | 56 | 53.6 Ų | 53.6 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.7 | -173.4 | -67.2 | -172.7 | -39.8 | 0 | 0 | 113.7 | A435 Q436 N437 Q476 | A435-Q456 PolarHBondContact O-N 2.95Å; Q436-Q456 HydrophobicContact CG-CB 4.36Å; N437-Q456 PolarHBondContact N-O 2.83Å; Q456-Q476 WeakPolarHBondContact CA-O 3.43Å; Q456-Q476 HydrophobicContact CG-CB 4.41Å |
| 457 | N | 65.3 | Low | 59.3 | Low | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.4 | 166.8 | -66 | -46.2 | 0 | 0 | 0 | 111.4 | N437 N447 A465 Q466 N467 Q476 N477 Q478 | N437-N457 WeakPolarHBondContact CB-OD1 2.97Å; N437-N457 WeakPolarHBondContact O-CA 3.16Å; N447-N457 PolarHBondContact ND2-OD1 2.99Å; N457-A465 HydrophobicContact CB-CB 3.98Å; N457-Q466 PolarHBondContact ND2-O 3.36Å; N457-N467 PolarHBondContact ND2-OD1 3.05Å; N457-Q476 PolarHBondContact N-O 3.15Å; N457-N477 WeakPolarHBondContact CB-OD1 3.38Å; N457-N477 PolarHBondContact ND2-OD1 2.94Å; N457-Q478 PolarHBondContact O-N 3.39Å |
| 458 | Q | 61.7 | Low | 59.3 | Low | 65 Ų | 65 | 55.5 Ų | 55.5 | 30% | 0.304 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 112.2 | 172.1 | -61 | -168.1 | 16.7 | 0 | 0 | 112.3 | N437 Q438 G439 Q478 | N437-Q458 PolarHBondContact O-N 3.4Å; Q438-Q458 HydrophobicContact CG-CB 4.45Å; G439-Q458 PolarHBondContact N-O 2.85Å; Q458-Q478 HydrophobicContact CG-CB 4.44Å |
| 459 | G | 58.1 | Low | 59.2 | Low | 16 Ų | 16 | 52.9 Ų | 52.9 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q478 K480 | G459-Q478 PolarHBondContact N-O 3.2Å; G459-K480 PolarHBondContact O-N 3.18Å |
| 460 | K | 58.1 | Low | 59.4 | Low | 109 Ų | 109 | 58.1 Ų | 58.1 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -92.8 | -31.8 | 178.4 | -69.3 | -173.7 | 179.4 | 178.4 | 0 | 115 | G439 | G439-K460 PolarHBondContact O-N 2.93Š|
| 461 | K | 57 | Low | 59.4 | Low | 125 Ų | 125 | 57.7 Ų | 57.7 | 54% | 0.543 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -159 | 87.4 | 177.3 | -74.6 | -167.2 | -179.8 | -172.5 | 0 | 110 | K440 K441 K481 | K440-K461 PolarHBondContact O-N 3.23Å; K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.38Å; K441-K461 HydrophobicContact CG-CB 4.13Å; K441-K461 WeakPolarHBondContact CG-O 3.24Å; K461-K481 VanDerWaalsContact CA-O 3.24Å; K461-K481 WeakPolarHBondContact CA-O 3.4Å |
| 462 | G | 51.9 | Low | 59.2 | Low | 16 Ų | 16 | 52.3 Ų | 52.3 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | trans | -176.3 | 162 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P442 K481 | P442-G462 WeakPolarHBondContact O-CA 3.33Å; G462-K481 PolarHBondContact N-O 3.02Å | ||
| 463 | E | 56 | Low | 59.5 | Low | 85 Ų | 85 | 55.6 Ų | 55.6 | 40% | 0.397 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 139.7 | 175.2 | -59.8 | 109.9 | -123.1 | 0 | 0 | 111.4 | P442 G444 | P442-E463 PolarHBondContact O-N 3Å; G444-E463 WeakPolarHBondContact CA-O 2.93Å; G444-E463 PolarHBondContact N-O 2.94Å |
| 464 | G | 58 | Low | 59.5 | Low | 35 Ų | 35 | 53.1 Ų | 53.1 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 65 | 106.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | G444 T445 E483 | G444-G464 WeakPolarHBondContact CA-O 3.36Å; T445-G464 PolarHBondContact N-O 2.93Å; G464-E483 PolarHBondContact N-O 3.26Å |
| 465 | A | 60.8 | Low | 59.8 | Low | 12 Ų | 12 | 52.3 Ų | 52.3 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N457 N477 G484 G485 Q486 | N457-A465 HydrophobicContact CB-CB 3.98Å; A465-N477 HydrophobicContact CB-CB 4.05Å; A465-N477 WeakPolarHBondContact CB-OD1 3.47Å; A465-N477 PolarHBondContact O-ND2 3.36Å; A465-G484 PolarHBondContact N-O 3.39Å; A465-G485 CarbonylContact O-C 3.4Å; A465-G485 WeakPolarHBondContact O-CA 3.39Å; A465-Q486 PolarHBondContact O-N 3.06Å |
| 466 | Q | 64.6 | Low | 59.9 | Low | 49 Ų | 49 | 53 Ų | 53 | 23% | 0.229 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.4 | -175.6 | -164.4 | -178 | 70.7 | 0 | 0 | 112.7 | T445 S446 N447 N457 Q468 Q486 | T445-Q466 PolarHBondContact O-N 3.15Å; S446-Q466 WeakPolarHBondContact CA-O 3.41Å; N447-Q466 PolarHBondContact N-O 2.85Å; N457-Q466 PolarHBondContact ND2-O 3.36Å; Q466-Q468 HydrophobicContact CG-CG 4.31Å; Q466-Q486 WeakPolarHBondContact CA-O 3.4Å; Q466-Q486 HydrophobicContact CG-CB 4.09Å |
| 467 | N | 65 | Low | 59.9 | Low | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.8 | 165.6 | -65.2 | -53.8 | 0 | 0 | 0 | 110 | N447 N457 A475 Q476 N477 Q486 N487 Q488 | N447-N467 PolarHBondContact ND2-OD1 3.31Å; N457-N467 PolarHBondContact ND2-OD1 3.05Å; N467-A475 HydrophobicContact CB-CB 4.11Å; N467-Q476 PolarHBondContact ND2-O 3.06Å; N467-N477 PolarHBondContact ND2-OD1 2.91Å; N467-N477 VanDerWaalsContact ND2-OD1 3.13Å; N467-Q486 PolarHBondContact N-O 2.93Å; N467-N487 PolarHBondContact ND2-OD1 3.46Å; N467-N487 VanDerWaalsContact ND2-OD1 3.08Å; N467-Q488 PolarHBondContact O-N 3.01Å; N467-Q488 VanDerWaalsContact O-N 3.07Å |
| 468 | Q | 62.5 | Low | 59.8 | Low | 67 Ų | 67 | 53.6 Ų | 53.6 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.4 | 170.8 | -57.4 | -173.6 | 17.3 | 0 | 0 | 110.8 | N447 Q448 G449 Q466 | N447-Q468 PolarHBondContact O-N 3.49Å; Q448-Q468 HydrophobicContact CG-CB 4.44Å; G449-Q468 PolarHBondContact N-O 3.01Å; Q466-Q468 HydrophobicContact CG-CG 4.31Å |
| 469 | S | 59.5 | Low | 59.6 | Low | 24 Ų | 24 | 51.3 Ų | 51.3 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.2 | 177.5 | 69.6 | 0 | 0 | 0 | 0 | 112.4 | Q488 K490 | S469-Q488 PolarHBondContact N-O 3.46Å; S469-Q488 VanDerWaalsContact N-O 3.1Å; S469-K490 PolarHBondContact O-N 3.23Å |
| 470 | K | 61.8 | Low | 59.7 | Low | 137 Ų | 137 | 56.2 Ų | 56.2 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -86.8 | -33 | 172.7 | -75.6 | -168.7 | 175.8 | -174.6 | 0 | 113.2 | G449 | G449-K470 PolarHBondContact O-N 2.86Š|
| 471 | K | 58 | Low | 59.7 | Low | 122 Ų | 122 | 56.7 Ų | 56.7 | 53% | 0.53 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -151.5 | 132.2 | 166.4 | -74.2 | -166 | 174.6 | -161.8 | 0 | 106.6 | K451 K491 | K451-K471 WeakPolarHBondContact CA-O 3.36Å; K471-K491 WeakPolarHBondContact CA-O 3.36Å |
| 472 | G | 52 | Low | 59.3 | Low | 8 Ų | 8 | 51.9 Ų | 51.9 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | trans | 155.5 | 143.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G452 | G452-G472 WeakPolarHBondContact O-CA 3.42Š| ||
| 473 | E | 57 | Low | 59.5 | Low | 93 Ų | 93 | 56.3 Ų | 56.3 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -85.8 | 147.8 | 177.4 | -60 | 91 | -106 | 0 | 0 | 112.2 | E453 G454 E493 | E453-E473 WeakPolarHBondContact CA-O 3.43Å; E453-E473 HydrophobicContact CG-CB 4.47Å; G454-E473 PolarHBondContact N-O 3.17Å; G454-E473 VanDerWaalsContact N-O 3.07Å; E473-E493 HydrophobicContact CG-CB 4.35Å |
| 474 | G | 58.6 | Low | 59.6 | Low | 35 Ų | 35 | 52.9 Ų | 52.9 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | trans | 71.1 | 82.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G454 A455 E493 | G454-G474 WeakPolarHBondContact CA-O 3.32Å; A455-G474 PolarHBondContact N-O 2.97Å; A455-G474 VanDerWaalsContact N-O 3.14Å; G474-E493 PolarHBondContact N-O 3.27Å | ||
| 475 | A | 61.8 | Low | 59.6 | Low | 14 Ų | 14 | 51.4 Ų | 51.4 | 12% | 0.116 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111 | N467 N487 G494 Q496 | N467-A475 HydrophobicContact CB-CB 4.11Å; A475-N487 HydrophobicContact CB-CB 4.18Å; A475-G494 PolarHBondContact N-O 3Å; A475-Q496 PolarHBondContact O-N 3.11Å |
| 476 | Q | 65.7 | Low | 59.7 | Low | 42 Ų | 42 | 54.4 Ų | 54.4 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.9 | -173.9 | -162.1 | -175.7 | 44.8 | 0 | 0 | 113.3 | A455 Q456 N457 N467 Q496 | A455-Q476 PolarHBondContact O-N 3.41Å; Q456-Q476 WeakPolarHBondContact CA-O 3.43Å; Q456-Q476 HydrophobicContact CG-CB 4.41Å; N457-Q476 PolarHBondContact N-O 3.15Å; N467-Q476 PolarHBondContact ND2-O 3.06Å; Q476-Q496 WeakPolarHBondContact CA-O 3.22Å; Q476-Q496 HydrophobicContact CG-CB 4.49Å |
| 477 | N | 65.1 | Low | 59.6 | Low | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.2 | 167.7 | -58.4 | -60.5 | 0 | 0 | 0 | 110.8 | N457 A465 N467 Q486 N487 Q496 N497 Q498 | N457-N477 WeakPolarHBondContact CB-OD1 3.38Å; N457-N477 PolarHBondContact ND2-OD1 2.94Å; A465-N477 HydrophobicContact CB-CB 4.05Å; A465-N477 WeakPolarHBondContact CB-OD1 3.47Å; A465-N477 PolarHBondContact O-ND2 3.36Å; N467-N477 PolarHBondContact ND2-OD1 2.91Å; N467-N477 VanDerWaalsContact ND2-OD1 3.13Å; N477-Q486 PolarHBondContact ND2-O 3.31Å; N477-N487 PolarHBondContact ND2-OD1 3.32Å; N477-Q496 PolarHBondContact N-O 2.98Å; N477-Q496 VanDerWaalsContact N-O 3.14Å; N477-N497 WeakPolarHBondContact CB-OD1 3.43Å; N477-N497 PolarHBondContact ND2-OD1 2.98Å; N477-Q498 PolarHBondContact O-N 3.3Å |
| 478 | Q | 61.8 | Low | 59.3 | Low | 66 Ų | 66 | 55.7 Ų | 55.7 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 112.8 | 171.2 | -58.9 | -169.5 | 18 | 0 | 0 | 111.6 | N457 Q458 G459 Q498 | N457-Q478 PolarHBondContact O-N 3.39Å; Q458-Q478 HydrophobicContact CG-CB 4.44Å; G459-Q478 PolarHBondContact N-O 3.2Å; Q478-Q498 WeakPolarHBondContact CA-O 3.11Å; Q478-Q498 HydrophobicContact CG-CB 4.44Å |
| 479 | A | 59 | Low | 59 | Low | 17 Ų | 17 | 53.3 Ų | 53.3 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q498 K500 | A479-Q498 PolarHBondContact N-O 2.9Å; A479-K500 PolarHBondContact O-N 3.36Å |
| 480 | K | 60.2 | Low | 59 | Low | 118 Ų | 118 | 58.6 Ų | 58.6 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -89.4 | -31.5 | -176.9 | -128.9 | 171.4 | -174.1 | 173.6 | 0 | 113.9 | G459 K500 | G459-K480 PolarHBondContact O-N 3.18Å; K480-K500 HydrophobicContact CG-CD 4.31Å |
| 481 | K | 56.9 | Low | 58.7 | Low | 119 Ų | 119 | 57.7 Ų | 57.7 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -158.2 | 113.4 | 169 | -68.7 | -167.7 | 178.6 | -171.6 | 0 | 108.3 | K461 G462 K501 | K461-K481 VanDerWaalsContact CA-O 3.24Å; K461-K481 WeakPolarHBondContact CA-O 3.4Å; G462-K481 PolarHBondContact N-O 3.02Å; K481-K501 CarbonylContact C-O 3.56Å; K481-K501 VanDerWaalsContact CA-O 3.29Å; K481-K501 WeakPolarHBondContact CA-O 3.48Å; K481-K501 HydrophobicContact CG-CB 4.47Å |
| 482 | G | 49.7 | Very low | 58.3 | Low | 24 Ų | 24 | 52.6 Ų | 52.6 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 142.4 | 166.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K501 G502 | G482-K501 PolarHBondContact N-O 3.42Å; G482-G502 VanDerWaalsContact O-CA 3.29Å; G482-G502 WeakPolarHBondContact O-CA 3.37Å |
| 483 | E | 55.6 | Low | 58.4 | Low | 110 Ų | 110 | 57.3 Ų | 57.3 | 51% | 0.514 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -54.7 | 140 | 178.8 | -65.7 | 166.1 | -149 | 0 | 0 | 111.6 | G464 | G464-E483 PolarHBondContact N-O 3.26Š|
| 484 | G | 57.8 | Low | 58.4 | Low | 13 Ų | 13 | 54.6 Ų | 54.6 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | trans | -83.5 | -159.4 | -154.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | A465 E503 G504 | A465-G484 PolarHBondContact N-O 3.39Å; G484-E503 PolarHBondContact N-O 2.96Å; G484-G504 CarbonylContact C-O 3.25Å; G484-G504 WeakPolarHBondContact CA-O 3.24Å | ||
| 485 | G | 58.2 | Low | 58.4 | Low | 4 Ų | 4 | 53.3 Ų | 53.3 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 142.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A465 N497 Q506 | A465-G485 CarbonylContact O-C 3.4Å; A465-G485 WeakPolarHBondContact O-CA 3.39Å; G485-N497 WeakPolarHBondContact CA-OD1 3.3Å; G485-N497 PolarHBondContact O-ND2 3.3Å; G485-N497 VanDerWaalsContact O-ND2 3.17Å; G485-Q506 PolarHBondContact O-N 2.78Å; G485-Q506 VanDerWaalsContact O-N 3.08Å |
| 486 | Q | 62.2 | Low | 58.4 | Low | 75 Ų | 75 | 54.9 Ų | 54.9 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.1 | 166 | -72.1 | -172.9 | -0.1 | 0 | 0 | 110.4 | A465 Q466 N467 N477 Q506 | A465-Q486 PolarHBondContact O-N 3.06Å; Q466-Q486 WeakPolarHBondContact CA-O 3.4Å; Q466-Q486 HydrophobicContact CG-CB 4.09Å; N467-Q486 PolarHBondContact N-O 2.93Å; N477-Q486 PolarHBondContact ND2-O 3.31Å; Q486-Q506 WeakPolarHBondContact CA-O 3.45Å; Q486-Q506 HydrophobicContact CG-CB 4.49Å |
| 487 | N | 62.6 | Low | 58.1 | Low | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.011 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.1 | 165.2 | -57.9 | -63.1 | 0 | 0 | 0 | 109.8 | N467 A475 N477 A495 Q496 N497 Q506 N507 Q508 | N467-N487 PolarHBondContact ND2-OD1 3.46Å; N467-N487 VanDerWaalsContact ND2-OD1 3.08Å; A475-N487 HydrophobicContact CB-CB 4.18Å; N477-N487 PolarHBondContact ND2-OD1 3.32Å; N487-A495 HydrophobicContact CB-CB 4.03Å; N487-Q496 PolarHBondContact ND2-O 2.79Å; N487-N497 PolarHBondContact ND2-OD1 3.03Å; N487-Q506 PolarHBondContact N-O 3.36Å; N487-N507 WeakPolarHBondContact CB-OD1 3.43Å; N487-N507 PolarHBondContact ND2-OD1 3.09Å; N487-Q508 PolarHBondContact O-N 2.83Å; N487-Q508 VanDerWaalsContact O-N 3.11Å |
| 488 | Q | 59.9 | Low | 57.8 | Low | 77 Ų | 77 | 55.5 Ų | 55.5 | 36% | 0.36 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 114.6 | 171.5 | -64.1 | -171.3 | 13.6 | 0 | 0 | 110.6 | N467 S469 | N467-Q488 PolarHBondContact O-N 3.01Å; N467-Q488 VanDerWaalsContact O-N 3.07Å; S469-Q488 PolarHBondContact N-O 3.46Å; S469-Q488 VanDerWaalsContact N-O 3.1Å |
| 489 | A | 56.6 | Low | 57.4 | Low | 17 Ų | 17 | 52.9 Ų | 52.9 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q508 K510 | A489-Q508 PolarHBondContact N-O 3Å; A489-K510 PolarHBondContact O-N 3.02Å |
| 490 | K | 59.1 | Low | 57.3 | Low | 135 Ų | 135 | 57.2 Ų | 57.2 | 59% | 0.587 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -83.5 | -30.6 | -179.8 | -159.5 | 171.1 | -176.2 | 177.3 | 0 | 113 | S469 | S469-K490 PolarHBondContact O-N 3.23Š|
| 491 | K | 55.2 | Low | 56.9 | Low | 117 Ų | 117 | 57.4 Ų | 57.4 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -152.5 | 131.7 | 162.4 | -80.3 | -164.6 | 173 | -160.6 | 0 | 106.3 | K471 | K471-K491 WeakPolarHBondContact CA-O 3.36Š|
| 492 | G | 49.6 | Very low | 56.4 | Low | 16 Ų | 16 | 52.9 Ų | 52.9 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | trans | 151.4 | 157.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G512 | G492-G512 VanDerWaalsContact O-CA 3.28Å; G492-G512 WeakPolarHBondContact O-CA 3.28Å | ||
| 493 | E | 54.8 | Low | 56.6 | Low | 107 Ų | 107 | 57.1 Ų | 57.1 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -97.1 | 146.3 | -179.2 | -66.9 | 139 | -133.4 | 0 | 0 | 111.2 | E473 G474 E513 | E473-E493 HydrophobicContact CG-CB 4.35Å; G474-E493 PolarHBondContact N-O 3.27Å; E493-E513 HydrophobicContact CG-CB 4.04Å; E493-E513 HydrophobicContact CG-CG 4.25Å |
| 494 | G | 56.4 | Low | 56.5 | Low | 36 Ų | 36 | 53.5 Ų | 53.5 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | trans | 76.3 | 95.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A475 E513 G514 | A475-G494 PolarHBondContact N-O 3Å; G494-E513 PolarHBondContact N-O 3.46Å; G494-G514 WeakPolarHBondContact CA-O 2.86Å | ||
| 495 | A | 58.2 | Low | 56.3 | Low | 8 Ų | 8 | 53.6 Ų | 53.6 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | N487 N507 G514 Q516 | N487-A495 HydrophobicContact CB-CB 4.03Å; A495-N507 HydrophobicContact CB-CB 4.2Å; A495-G514 PolarHBondContact N-O 3.41Å; A495-G514 VanDerWaalsContact N-O 3.13Å; A495-Q516 PolarHBondContact O-N 2.94Å |
| 496 | Q | 61 | Low | 56.3 | Low | 46 Ų | 46 | 56 Ų | 56 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.8 | -177.2 | -166 | -171.8 | 74 | 0 | 0 | 113.1 | A475 Q476 N477 N487 Q498 Q516 | A475-Q496 PolarHBondContact O-N 3.11Å; Q476-Q496 WeakPolarHBondContact CA-O 3.22Å; Q476-Q496 HydrophobicContact CG-CB 4.49Å; N477-Q496 PolarHBondContact N-O 2.98Å; N477-Q496 VanDerWaalsContact N-O 3.14Å; N487-Q496 PolarHBondContact ND2-O 2.79Å; Q496-Q498 HydrophobicContact CG-CG 4.42Å; Q496-Q516 WeakPolarHBondContact CA-O 3.4Å; Q496-Q516 HydrophobicContact CG-CB 4.5Å |
| 497 | N | 60.4 | Low | 56.1 | Low | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.8 | 167 | -65.9 | -50.9 | 0 | 0 | 0 | 110.8 | N477 G485 N487 A505 Q506 N507 Q516 N517 Q518 | N477-N497 WeakPolarHBondContact CB-OD1 3.43Å; N477-N497 PolarHBondContact ND2-OD1 2.98Å; G485-N497 WeakPolarHBondContact CA-OD1 3.3Å; G485-N497 PolarHBondContact O-ND2 3.3Å; G485-N497 VanDerWaalsContact O-ND2 3.17Å; N487-N497 PolarHBondContact ND2-OD1 3.03Å; N497-A505 HydrophobicContact CB-CB 4.07Å; N497-Q506 PolarHBondContact ND2-O 3.3Å; N497-N507 PolarHBondContact ND2-ND2 3.4Å; N497-N507 PolarHBondContact ND2-OD1 3.01Å; N497-Q516 PolarHBondContact N-O 3.12Å; N497-Q516 VanDerWaalsContact N-O 3.17Å; N497-N517 PolarHBondContact ND2-OD1 2.7Å; N497-Q518 PolarHBondContact O-N 3.19Å |
| 498 | Q | 58.1 | Low | 55.8 | Low | 56 Ų | 56 | 55.4 Ų | 55.4 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 113.1 | 170.9 | -59.7 | -168.8 | 25.2 | 0 | 0 | 111.4 | N477 Q478 A479 Q496 Q518 | N477-Q498 PolarHBondContact O-N 3.3Å; Q478-Q498 WeakPolarHBondContact CA-O 3.11Å; Q478-Q498 HydrophobicContact CG-CB 4.44Å; A479-Q498 PolarHBondContact N-O 2.9Å; Q496-Q498 HydrophobicContact CG-CG 4.42Å; Q498-Q518 WeakPolarHBondContact CA-O 3.49Å |
| 499 | A | 54.8 | Low | 55.4 | Low | 11 Ų | 11 | 52.3 Ų | 52.3 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q518 A519 K520 | A499-Q518 PolarHBondContact N-O 2.59Å; A499-A519 CarbonylContact O-C 3.56Å; A499-A519 VanDerWaalsContact O-C 3.3Å; A499-A519 VanDerWaalsContact O-CA 3.28Å; A499-A519 WeakPolarHBondContact O-CA 3.45Å; A499-K520 PolarHBondContact O-N 2.95Å |
| 500 | K | 56.4 | Low | 55.3 | Low | 108 Ų | 108 | 58.5 Ų | 58.5 | 47% | 0.47 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -93.3 | -15.9 | 178.7 | -98.2 | 175.4 | -179.8 | 169 | 0 | 114.7 | A479 K480 K520 | A479-K500 PolarHBondContact O-N 3.36Å; K480-K500 HydrophobicContact CG-CD 4.31Å; K500-K520 HydrophobicContact CG-CD 4.43Å; K500-K520 VanDerWaalsContact O-O 3.07Å |
| 501 | K | 52.5 | Low | 55 | Low | 122 Ų | 122 | 59.1 Ų | 59.1 | 53% | 0.53 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -170.4 | 105.6 | 165 | -77.6 | -153.7 | 177.9 | -160.6 | 0 | 106.8 | K481 G482 | K481-K501 CarbonylContact C-O 3.56Å; K481-K501 VanDerWaalsContact CA-O 3.29Å; K481-K501 WeakPolarHBondContact CA-O 3.48Å; K481-K501 HydrophobicContact CG-CB 4.47Å; G482-K501 PolarHBondContact N-O 3.42Å |
| 502 | G | 46.6 | Very low | 54.5 | Low | 23 Ų | 23 | 54.9 Ų | 54.9 | 24% | 0.237 | 29% | 0.293 | C | S | . | . | trans | 169 | 145.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G482 | G482-G502 VanDerWaalsContact O-CA 3.29Å; G482-G502 WeakPolarHBondContact O-CA 3.37Å | ||
| 503 | E | 52.5 | Low | 54.6 | Low | 113 Ų | 113 | 59.2 Ų | 59.2 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -79.2 | 152.7 | 177.6 | -68.8 | 130.3 | -133.7 | 0 | 0 | 111.7 | G484 V523 | G484-E503 PolarHBondContact N-O 2.96Å; E503-V523 HydrophobicContact CG-CB 4.29Å; E503-V523 HydrophobicContact CG-CG1 3.98Å |
| 504 | G | 53.4 | Low | 54.5 | Low | 35 Ų | 35 | 55.8 Ų | 55.8 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | trans | 70.8 | 104 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G484 E524 | G484-G504 CarbonylContact C-O 3.25Å; G484-G504 WeakPolarHBondContact CA-O 3.24Å; G504-E524 PolarHBondContact N-O 2.89Å; G504-E524 VanDerWaalsContact N-O 3.15Å | ||
| 505 | A | 55.1 | Low | 54.4 | Low | 14 Ų | 14 | 54.4 Ų | 54.4 | 12% | 0.116 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 111.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | N497 N517 G525 Q527 | N497-A505 HydrophobicContact CB-CB 4.07Å; A505-N517 HydrophobicContact CB-CB 4.29Å; A505-N517 WeakPolarHBondContact CB-OD1 3.43Å; A505-N517 PolarHBondContact O-ND2 3.42Å; A505-G525 PolarHBondContact N-O 3.02Å; A505-Q527 PolarHBondContact O-N 2.79Å |
| 506 | Q | 57.3 | Low | 54.3 | Low | 55 Ų | 55 | 56.2 Ų | 56.2 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.9 | -173.5 | -161 | -177.2 | 56 | 0 | 0 | 111.7 | G485 Q486 N487 N497 Q527 | G485-Q506 PolarHBondContact O-N 2.78Å; G485-Q506 VanDerWaalsContact O-N 3.08Å; Q486-Q506 WeakPolarHBondContact CA-O 3.45Å; Q486-Q506 HydrophobicContact CG-CB 4.49Å; N487-Q506 PolarHBondContact N-O 3.36Å; N497-Q506 PolarHBondContact ND2-O 3.3Å; Q506-Q527 WeakPolarHBondContact CA-O 3.43Å; Q506-Q527 HydrophobicContact CG-CB 4.13Å |
| 507 | N | 58.2 | Low | 54 | Low | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.7 | 173.1 | -66.5 | -52.2 | 0 | 0 | 0 | 110.2 | N487 A495 N497 V515 N517 Q527 Q529 | N487-N507 WeakPolarHBondContact CB-OD1 3.43Å; N487-N507 PolarHBondContact ND2-OD1 3.09Å; A495-N507 HydrophobicContact CB-CB 4.2Å; N497-N507 PolarHBondContact ND2-ND2 3.4Å; N497-N507 PolarHBondContact ND2-OD1 3.01Å; N507-V515 HydrophobicContact CB-CG1 3.24Å; N507-N517 PolarHBondContact ND2-OD1 3.38Å; N507-Q527 PolarHBondContact N-O 2.9Å; N507-Q527 VanDerWaalsContact N-O 3.15Å; N507-Q529 PolarHBondContact O-N 3.36Å |
| 508 | Q | 55.3 | Low | 53.6 | Low | 63 Ų | 63 | 55.9 Ų | 55.9 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121.9 | 173.6 | -62 | -173.2 | 15 | 0 | 0 | 111.2 | N487 A489 | N487-Q508 PolarHBondContact O-N 2.83Å; N487-Q508 VanDerWaalsContact O-N 3.11Å; A489-Q508 PolarHBondContact N-O 3Å |
| 509 | A | 52.4 | Low | 53.2 | Low | 12 Ų | 12 | 54.1 Ų | 54.1 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | V515 Q529 | A509-V515 HydrophobicContact CB-CG2 4.26Å; A509-Q529 PolarHBondContact N-O 2.91Å |
| 510 | K | 54.4 | Low | 52.9 | Low | 147 Ų | 147 | 58.1 Ų | 58.1 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -84.5 | -27.1 | -180 | -86.9 | -175.7 | 174.8 | 175.4 | 0 | 114.2 | A489 | A489-K510 PolarHBondContact O-N 3.02Š|
| 511 | K | 51.9 | Low | 52.3 | Low | 149 Ų | 149 | 60.4 Ų | 60.4 | 65% | 0.648 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -160.1 | 100.2 | 169.8 | -69.1 | -166.6 | 178.2 | -168.6 | 0 | 106 | ||
| 512 | G | 45.4 | Very low | 51.7 | Low | 28 Ų | 28 | 56.3 Ų | 56.3 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | trans | 178.8 | 147.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | G492 | G492-G512 VanDerWaalsContact O-CA 3.28Å; G492-G512 WeakPolarHBondContact O-CA 3.28Å | ||
| 513 | E | 52.6 | Low | 51.2 | Low | 107 Ų | 107 | 59 Ų | 59 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -89.5 | 154 | -176 | -53.3 | -159.8 | 177.8 | 0 | 0 | 111.2 | E493 G494 E534 | E493-E513 HydrophobicContact CG-CB 4.04Å; E493-E513 HydrophobicContact CG-CG 4.25Å; G494-E513 PolarHBondContact N-O 3.46Å; E513-E534 WeakPolarHBondContact CA-OE2 3.28Å; E513-E534 WeakPolarHBondContact CB-OE2 3.39Å; E513-E534 WeakPolarHBondContact CG-OE2 3.02Å |
| 514 | G | 52.4 | Low | 50.8 | Low | 34 Ų | 34 | 60.8 Ų | 60.8 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | trans | 61.7 | 100 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | G494 A495 | G494-G514 WeakPolarHBondContact CA-O 2.86Å; A495-G514 PolarHBondContact N-O 3.41Å; A495-G514 VanDerWaalsContact N-O 3.13Å | ||
| 515 | V | 53.9 | Low | 50.5 | Low | 8 Ų | 8 | 60.9 Ų | 60.9 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 114.9 | 175.3 | -167.7 | 0 | 0 | 0 | 0 | 111.6 | N507 A509 N528 | N507-V515 HydrophobicContact CB-CG1 3.24Å; A509-V515 HydrophobicContact CB-CG2 4.26Å; V515-N528 HydrophobicContact CG1-CB 4.25Å; V515-N528 WeakPolarHBondContact CG1-ND2 3.12Å; V515-N528 WeakPolarHBondContact CG1-OD1 3.3Å; V515-N528 PolarHBondContact O-ND2 3.18Å |
| 516 | Q | 55.5 | Low | 50.3 | Low | 45 Ų | 45 | 60.9 Ų | 60.9 | 21% | 0.21 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.4 | -171.8 | -162 | -170.4 | 53.6 | 0 | 0 | 113.6 | A495 Q496 N497 Q518 | A495-Q516 PolarHBondContact O-N 2.94Å; Q496-Q516 WeakPolarHBondContact CA-O 3.4Å; Q496-Q516 HydrophobicContact CG-CB 4.5Å; N497-Q516 PolarHBondContact N-O 3.12Å; N497-Q516 VanDerWaalsContact N-O 3.17Å; Q516-Q518 HydrophobicContact CG-CG 4.43Å; Q516-Q518 VanDerWaalsContact OE1-NE2 3.16Å |
| 517 | N | 54.5 | Low | 49.8 | Very low | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.2 | 169.7 | -75.4 | -30.9 | 0 | 0 | 0 | 109.9 | N497 A505 N507 N528 Q539 | N497-N517 PolarHBondContact ND2-OD1 2.7Å; A505-N517 HydrophobicContact CB-CB 4.29Å; A505-N517 WeakPolarHBondContact CB-OD1 3.43Å; A505-N517 PolarHBondContact O-ND2 3.42Å; N507-N517 PolarHBondContact ND2-OD1 3.38Å; N517-N528 PolarHBondContact ND2-OD1 2.9Å; N517-Q539 PolarHBondContact O-N 3.03Å |
| 518 | Q | 52.6 | Low | 49.5 | Very low | 39 Ų | 39 | 63.2 Ų | 63.2 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 118.8 | 172.4 | -61.2 | -171.4 | 24.9 | 0 | 0 | 111.8 | N497 Q498 A499 Q516 | N497-Q518 PolarHBondContact O-N 3.19Å; Q498-Q518 WeakPolarHBondContact CA-O 3.49Å; A499-Q518 PolarHBondContact N-O 2.59Å; Q516-Q518 HydrophobicContact CG-CG 4.43Å; Q516-Q518 VanDerWaalsContact OE1-NE2 3.16Å |
| 519 | A | 48.7 | Very low | 49.1 | Very low | 20 Ų | 20 | 65.5 Ų | 65.5 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 170.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A499 Q539 A540 | A499-A519 CarbonylContact O-C 3.56Å; A499-A519 VanDerWaalsContact O-C 3.3Å; A499-A519 VanDerWaalsContact O-CA 3.28Å; A499-A519 WeakPolarHBondContact O-CA 3.45Å; A519-Q539 PolarHBondContact N-O 2.69Å; A519-A540 VanDerWaalsContact C-CB 3.41Å; A519-A540 HydrophobicContact CB-CB 3.68Å; A519-A540 WeakPolarHBondContact O-CB 3.17Å |
| 520 | K | 49.5 | Very low | 48.8 | Very low | 94 Ų | 94 | 65.4 Ų | 65.4 | 41% | 0.409 | 35% | 0.348 | S | S | . | . | trans | -146.7 | 85.1 | 167.3 | -62.6 | -166.1 | -173.9 | -166.1 | 0 | 111.8 | A499 K500 K541 | A499-K520 PolarHBondContact O-N 2.95Å; K500-K520 HydrophobicContact CG-CD 4.43Å; K500-K520 VanDerWaalsContact O-O 3.07Å; K520-K541 HydrophobicContact CG-CD 4.23Å | ||
| 521 | K | 43.7 | Very low | 48.3 | Very low | 156 Ų | 156 | 66.5 Ų | 66.5 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 77.7 | 131.8 | -175.1 | -51.6 | 179.6 | 178 | -173.9 | 0 | 114 | ||
| 522 | G | 39.9 | Very low | 47.9 | Very low | 36 Ų | 36 | 68.1 Ų | 68.1 | 37% | 0.371 | 36% | 0.36 | S | S | . | . | trans | 98.9 | 123.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 523 | V | 35.6 | Very low | 47.7 | Very low | 79 Ų | 79 | 67.1 Ų | 67.1 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | trans | 43.5 | 117.4 | 136.1 | -169 | 0 | 0 | 0 | 0 | 119.3 | E503 | E503-V523 HydrophobicContact CG-CB 4.29Å; E503-V523 HydrophobicContact CG-CG1 3.98Å | ||
| 524 | E | 45.2 | Very low | 47.2 | Very low | 152 Ų | 152 | 65.7 Ų | 65.7 | 71% | 0.71 | 34% | 0.343 | S | S | * | . | trans | 51.1 | 146.5 | 146.8 | -62.3 | 168.2 | -154.6 | 0 | 0 | 123.3 | G504 | G504-E524 PolarHBondContact N-O 2.89Å; G504-E524 VanDerWaalsContact N-O 3.15Å | ||
| 525 | G | 46.9 | Very low | 46.7 | Very low | 36 Ų | 36 | 67.2 Ų | 67.2 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | trans | 93.8 | 30.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | A505 Q527 | A505-G525 PolarHBondContact N-O 3.02Å; G525-Q527 PolarHBondContact O-N 2.76Å; G525-Q527 VanDerWaalsContact O-N 3.17Å | ||
| 526 | A | 49.7 | Very low | 46.2 | Very low | 14 Ų | 14 | 67 Ų | 67 | 12% | 0.116 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 77 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N538 Q547 | A526-N538 WeakPolarHBondContact CB-OD1 3.33Å; A526-Q547 WeakPolarHBondContact O-CA 3.36Å; A526-Q547 VanDerWaalsContact O-CG 3.31Å; A526-Q547 WeakPolarHBondContact O-CG 3.47Å |
| 527 | Q | 48.4 | Very low | 45.7 | Very low | 100 Ų | 100 | 68.8 Ų | 68.8 | 47% | 0.467 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.4 | -178.8 | -78.3 | -171.1 | -7.6 | 0 | 0 | 113.9 | A505 Q506 N507 G525 | A505-Q527 PolarHBondContact O-N 2.79Å; Q506-Q527 WeakPolarHBondContact CA-O 3.43Å; Q506-Q527 HydrophobicContact CG-CB 4.13Å; N507-Q527 PolarHBondContact N-O 2.9Å; N507-Q527 VanDerWaalsContact N-O 3.15Å; G525-Q527 PolarHBondContact O-N 2.76Å; G525-Q527 VanDerWaalsContact O-N 3.17Å |
| 528 | N | 51.6 | Low | 45.3 | Very low | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.032 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 149.9 | 162 | -75.6 | -0.8 | 0 | 0 | 0 | 109.6 | V515 N517 N536 Q547 N548 Q549 | V515-N528 HydrophobicContact CG1-CB 4.25Å; V515-N528 WeakPolarHBondContact CG1-ND2 3.12Å; V515-N528 WeakPolarHBondContact CG1-OD1 3.3Å; V515-N528 PolarHBondContact O-ND2 3.18Å; N517-N528 PolarHBondContact ND2-OD1 2.9Å; N528-N536 WeakPolarHBondContact CB-OD1 3.25Å; N528-N536 PolarHBondContact ND2-OD1 3.06Å; N528-Q547 HydrophobicContact CB-CG 3.95Å; N528-Q547 PolarHBondContact ND2-NE2 3.3Å; N528-Q547 PolarHBondContact ND2-OE1 3.4Å; N528-N548 VanDerWaalsContact O-O 3.07Å; N528-Q549 HydrophobicContact CB-CG 4.47Å |
| 529 | Q | 47.4 | Very low | 44.7 | Very low | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.514 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 121.3 | 164 | -64.1 | -174.2 | 10.9 | 0 | 0 | 110 | N507 A509 | N507-Q529 PolarHBondContact O-N 3.36Å; A509-Q529 PolarHBondContact N-O 2.91Å |
| 530 | G | 44.7 | Very low | 44.3 | Very low | 11 Ų | 11 | 69.9 Ų | 69.9 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 531 | K | 44 | Very low | 44 | Very low | 170 Ų | 170 | 69.5 Ų | 69.5 | 74% | 0.739 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -104.4 | 126.7 | 171.6 | -74 | -168 | 176.3 | -173.9 | 0 | 109.9 | G533 | K531-G533 PolarHBondContact O-N 3.48Š|
| 532 | K | 43.1 | Very low | 43.7 | Very low | 183 Ų | 183 | 70.8 Ų | 70.8 | 80% | 0.796 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 61.7 | 7.8 | -162.2 | -69 | -161.1 | 171.8 | -167 | 0 | 115.8 | K551 | K532-K551 WeakPolarHBondContact O-CD 3.01Å; K532-K551 WeakPolarHBondContact O-CE 3.27Å; K532-K551 PolarHBondContact O-NZ 2.91Å |
| 533 | G | 42.1 | Very low | 43.7 | Very low | 7 Ų | 7 | 71.3 Ų | 71.3 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | trans | 46.3 | 146.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | K531 Q549 K551 | K531-G533 PolarHBondContact O-N 3.48Å; G533-Q549 VanDerWaalsContact CA-OE1 3.31Å; G533-K551 WeakPolarHBondContact O-CD 3.42Å; G533-K551 WeakPolarHBondContact O-CE 3.47Å; G533-K551 PolarHBondContact O-NZ 3.29Å | ||
| 534 | E | 42.1 | Very low | 43.9 | Very low | 76 Ų | 76 | 68.9 Ų | 68.9 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | trans | -163 | -170.4 | 175.1 | -132.5 | 163.4 | -101.6 | 0 | 0 | 112.9 | E513 N536 Q549 | E513-E534 WeakPolarHBondContact CA-OE2 3.28Å; E513-E534 WeakPolarHBondContact CB-OE2 3.39Å; E513-E534 WeakPolarHBondContact CG-OE2 3.02Å; E534-N536 PolarHBondContact O-N 2.97Å; E534-N536 VanDerWaalsContact O-N 3.09Å; E534-Q549 PolarHBondContact O-NE2 3.46Å; E534-Q549 PolarHBondContact O-OE1 2.86Å | ||
| 535 | A | 41.4 | Very low | 43.7 | Very low | 66 Ų | 66 | 63 Ų | 63 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | trans | -38.1 | 112.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 536 | N | 44.1 | Very low | 43.5 | Very low | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 79.1 | -169.5 | -167.7 | 54.1 | 0 | 0 | 0 | 111.5 | N528 E534 Q547 Q549 Q557 | N528-N536 WeakPolarHBondContact CB-OD1 3.25Å; N528-N536 PolarHBondContact ND2-OD1 3.06Å; E534-N536 PolarHBondContact O-N 2.97Å; E534-N536 VanDerWaalsContact O-N 3.09Å; N536-Q547 VanDerWaalsContact C-OE1 3.3Å; N536-Q547 VanDerWaalsContact CG-OE1 3.26Å; N536-Q547 PolarHBondContact ND2-OE1 2.94Å; N536-Q547 PolarHBondContact O-OE1 3.01Å; N536-Q547 PolarHBondContact OD1-OE1 2.97Å; N536-Q549 HydrophobicContact CB-CB 3.78Å; N536-Q549 HydrophobicContact CB-CG 4.11Å; N536-Q549 VanDerWaalsContact CG-CB 3.48Å; N536-Q549 PolarHBondContact ND2-N 3.27Å; N536-Q549 VanDerWaalsContact OD1-CG 3.31Å; N536-Q549 WeakPolarHBondContact OD1-CG 3.46Å; N536-Q549 PolarHBondContact OD1-NE2 3.07Å; N536-Q557 PolarHBondContact ND2-OE1 3.27Å |
| 537 | Q | 43.9 | Very low | 43.2 | Very low | 83 Ų | 83 | 62.4 Ų | 62.4 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 115.3 | -174.4 | -163.5 | -173.9 | 81.5 | 0 | 0 | 112.3 | Q539 Q547 | Q537-Q539 HydrophobicContact CG-CG 4.19Å; Q537-Q547 VanDerWaalsContact C-NE2 3.29Å; Q537-Q547 PolarHBondContact O-NE2 3.23Å |
| 538 | N | 46.2 | Very low | 42.9 | Very low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 148.4 | 160.7 | -125.3 | 7.5 | 0 | 0 | 0 | 108 | A526 Q547 Q557 N558 Q559 | A526-N538 WeakPolarHBondContact CB-OD1 3.33Å; N538-Q547 HydrophobicContact CB-CB 4.19Å; N538-Q547 VanDerWaalsContact CB-CD 3.47Å; N538-Q547 HydrophobicContact CB-CG 3.97Å; N538-Q547 VanDerWaalsContact CG-NE2 3.32Å; N538-Q547 VanDerWaalsContact N-OE1 3.08Å; N538-Q547 WeakPolarHBondContact ND2-CG 3.18Å; N538-Q547 PolarHBondContact ND2-N 3.17Å; N538-Q547 VanDerWaalsContact OD1-CD 3.27Å; N538-Q547 WeakPolarHBondContact OD1-CG 3.45Å; N538-Q547 PolarHBondContact OD1-NE2 3Å; N538-Q557 HydrophobicContact CB-CG 4.22Å; N538-N558 CarbonylContact O-C 3.29Å; N538-Q559 VanDerWaalsContact CB-CD 3.4Å; N538-Q559 HydrophobicContact CB-CG 3.84Å; N538-Q559 VanDerWaalsContact CG-NE2 3.27Å; N538-Q559 VanDerWaalsContact ND2-CD 3.35Å; N538-Q559 PolarHBondContact ND2-OE1 2.96Å |
| 539 | Q | 39.9 | Very low | 42.4 | Very low | 67 Ų | 67 | 60.4 Ų | 60.4 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 139.9 | 168 | -63.5 | -173.1 | 19.9 | 0 | 0 | 110.7 | N517 A519 Q537 Q559 | N517-Q539 PolarHBondContact O-N 3.03Å; A519-Q539 PolarHBondContact N-O 2.69Å; Q537-Q539 HydrophobicContact CG-CG 4.19Å; Q539-Q559 VanDerWaalsContact C-NE2 3.25Å; Q539-Q559 PolarHBondContact O-NE2 3.01Å |
| 540 | A | 41.6 | Very low | 42 | Very low | 18 Ų | 18 | 57.4 Ų | 57.4 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | trans | 175.8 | -144.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | A519 E544 K561 | A519-A540 VanDerWaalsContact C-CB 3.41Å; A519-A540 HydrophobicContact CB-CB 3.68Å; A519-A540 WeakPolarHBondContact O-CB 3.17Å; A540-E544 WeakPolarHBondContact CA-OE2 3.47Å; A540-E544 WeakPolarHBondContact CB-OE1 3.37Å; A540-E544 WeakPolarHBondContact CB-OE2 3.45Å; A540-E544 PolarHBondContact N-OE2 3.42Å; A540-K561 WeakPolarHBondContact O-CG 3.43Å | ||
| 541 | K | 42.1 | Very low | 42 | Very low | 86 Ų | 86 | 61.7 Ų | 61.7 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -138.3 | 115.8 | -148.8 | -67.7 | 103.3 | -167.6 | 158.5 | 0 | 116.7 | K520 K561 | K520-K541 HydrophobicContact CG-CD 4.23Å; K541-K561 PolarHBondContact O-NZ 3.47Å |
| 542 | K | 38.5 | Very low | 41.7 | Very low | 184 Ų | 184 | 60.3 Ų | 60.3 | 80% | 0.8 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 54.5 | 107.8 | -178.1 | -66.5 | -166.2 | 174 | -171.8 | 0 | 117.9 | K561 | K542-K561 VanDerWaalsContact C-CD 3.42Å; K542-K561 VanDerWaalsContact N-CD 3.27Å; K542-K561 PolarHBondContact O-NZ 2.93Å |
| 543 | G | 39.3 | Very low | 41.5 | Very low | 46 Ų | 46 | 53 Ų | 53 | 47% | 0.474 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 39.5 | 112.4 | -158.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | K561 | G543-K561 VanDerWaalsContact C-CE 3.45Å; G543-K561 VanDerWaalsContact N-CD 3.3Å; G543-K561 PolarHBondContact O-NZ 2.97Å |
| 544 | E | 39.8 | Very low | 41.5 | Very low | 28 Ų | 28 | 53.7 Ų | 53.7 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | trans | -125.4 | 169.4 | 171.5 | -118.2 | 122.1 | -119.1 | 0 | 0 | 112.6 | A540 Q559 K561 E564 | A540-E544 WeakPolarHBondContact CA-OE2 3.47Å; A540-E544 WeakPolarHBondContact CB-OE1 3.37Å; A540-E544 WeakPolarHBondContact CB-OE2 3.45Å; A540-E544 PolarHBondContact N-OE2 3.42Å; E544-Q559 HydrophobicContact CB-CB 4.4Å; E544-Q559 VanDerWaalsContact CD-NE2 3.29Å; E544-Q559 WeakPolarHBondContact OE2-CG 3.48Å; E544-Q559 PolarHBondContact OE2-NE2 2.92Å; E544-K561 HydrophobicContact CB-CD 3.83Å; E544-K561 HydrophobicContact CG-CD 4.48Å; E544-K561 VanDerWaalsContact CG-CE 3.47Å; E544-K561 VanDerWaalsContact N-CD 3.25Å; E544-K561 WeakPolarHBondContact OE1-CE 3.29Å; E544-K561 IonicContact OE1-NZ 3.96Å; E544-K561 PolarHBondContact OE1-NZ 3.37Å; E544-K561 WeakPolarHBondContact OE2-CE 3.43Å; E544-K561 IonicContact OE2-NZ 2.67Å; E544-E564 WeakPolarHBondContact CB-OE2 3.37Å | ||
| 545 | G | 40.7 | Very low | 41.5 | Very low | 30 Ų | 30 | 50.9 Ų | 50.9 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | trans | -109.7 | 141.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q559 | G545-Q559 PolarHBondContact O-OE1 2.94Š| ||
| 546 | G | 42 | Very low | 41.6 | Very low | 35 Ų | 35 | 51.5 Ų | 51.5 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | trans | -69.8 | 148.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 547 | Q | 43.6 | Very low | 41.5 | Very low | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | trans | -65.5 | 177.6 | 158.5 | -98.8 | 170.5 | 16.4 | 0 | 0 | 111.1 | A526 N528 N536 Q537 N538 Q557 | A526-Q547 WeakPolarHBondContact O-CA 3.36Å; A526-Q547 VanDerWaalsContact O-CG 3.31Å; A526-Q547 WeakPolarHBondContact O-CG 3.47Å; N528-Q547 HydrophobicContact CB-CG 3.95Å; N528-Q547 PolarHBondContact ND2-NE2 3.3Å; N528-Q547 PolarHBondContact ND2-OE1 3.4Å; N536-Q547 VanDerWaalsContact C-OE1 3.3Å; N536-Q547 VanDerWaalsContact CG-OE1 3.26Å; N536-Q547 PolarHBondContact ND2-OE1 2.94Å; N536-Q547 PolarHBondContact O-OE1 3.01Å; N536-Q547 PolarHBondContact OD1-OE1 2.97Å; Q537-Q547 VanDerWaalsContact C-NE2 3.29Å; Q537-Q547 PolarHBondContact O-NE2 3.23Å; N538-Q547 HydrophobicContact CB-CB 4.19Å; N538-Q547 VanDerWaalsContact CB-CD 3.47Å; N538-Q547 HydrophobicContact CB-CG 3.97Å; N538-Q547 VanDerWaalsContact CG-NE2 3.32Å; N538-Q547 VanDerWaalsContact N-OE1 3.08Å; N538-Q547 WeakPolarHBondContact ND2-CG 3.18Å; N538-Q547 PolarHBondContact ND2-N 3.17Å; N538-Q547 VanDerWaalsContact OD1-CD 3.27Å; N538-Q547 WeakPolarHBondContact OD1-CG 3.45Å; N538-Q547 PolarHBondContact OD1-NE2 3Å; Q547-Q557 HydrophobicContact CB-CG 3.94Å; Q547-Q557 VanDerWaalsContact CB-OE1 3.25Å; Q547-Q557 VanDerWaalsContact N-NE2 3.15Å; Q547-Q557 VanDerWaalsContact O-CD 3.3Å; Q547-Q557 PolarHBondContact O-NE2 3.05Å; Q547-Q557 PolarHBondContact O-OE1 3.45Å | ||
| 548 | N | 42.5 | Very low | 41.5 | Very low | 54 Ų | 54 | 51.8 Ų | 51.8 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | trans | -143.5 | 155.3 | 156.6 | -106.7 | -63 | 0 | 0 | 0 | 109.8 | N528 Q567 | N528-N548 VanDerWaalsContact O-O 3.07Å; N548-Q567 PolarHBondContact ND2-O 3.06Å | ||
| 549 | Q | 41.8 | Very low | 41.2 | Very low | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | trans | -154.6 | 135.3 | 159.7 | -103.1 | -161.4 | 77.9 | 0 | 0 | 109.9 | N528 G533 E534 N536 | N528-Q549 HydrophobicContact CB-CG 4.47Å; G533-Q549 VanDerWaalsContact CA-OE1 3.31Å; E534-Q549 PolarHBondContact O-NE2 3.46Å; E534-Q549 PolarHBondContact O-OE1 2.86Å; N536-Q549 HydrophobicContact CB-CB 3.78Å; N536-Q549 HydrophobicContact CB-CG 4.11Å; N536-Q549 VanDerWaalsContact CG-CB 3.48Å; N536-Q549 PolarHBondContact ND2-N 3.27Å; N536-Q549 VanDerWaalsContact OD1-CG 3.31Å; N536-Q549 WeakPolarHBondContact OD1-CG 3.46Å; N536-Q549 PolarHBondContact OD1-NE2 3.07Å | ||
| 550 | T | 37.7 | Very low | 41.2 | Very low | 46 Ų | 46 | 51.7 Ų | 51.7 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | trans | -137.5 | 118.9 | -170.7 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | D570 | T550-D570 WeakPolarHBondContact CB-OD2 3.48Å; T550-D570 HydrophobicContact CG2-CB 3.63Å; T550-D570 PolarHBondContact OG1-OD2 3.14Å | ||
| 551 | K | 46.1 | Very low | 41.3 | Very low | 101 Ų | 101 | 52 Ų | 52 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -112.4 | -18.7 | -178.3 | -170.3 | 170.8 | -177.6 | 156.1 | 0 | 112.6 | K532 G533 G553 | K532-K551 WeakPolarHBondContact O-CD 3.01Å; K532-K551 WeakPolarHBondContact O-CE 3.27Å; K532-K551 PolarHBondContact O-NZ 2.91Å; G533-K551 WeakPolarHBondContact O-CD 3.42Å; G533-K551 WeakPolarHBondContact O-CE 3.47Å; G533-K551 PolarHBondContact O-NZ 3.29Å; K551-G553 WeakPolarHBondContact CB-O 3.48Å |
| 552 | K | 36.8 | Very low | 40.8 | Very low | 141 Ų | 141 | 52.5 Ų | 52.5 | 61% | 0.613 | 30% | 0.304 | S | S | * | . | S | Bend | 48.4 | 102 | -119 | -65.7 | 177.4 | 178.7 | 175.5 | 0 | 109.3 | K571 K572 | K552-K571 HydrophobicContact CG-CB 4.05Å; K552-K572 CarbonylContact C-O 3.59Å | |
| 553 | G | 40 | Very low | 40.7 | Very low | 29 Ų | 29 | 44.6 Ų | 44.6 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 109.2 | 72.2 | -162.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K551 K572 | K551-G553 WeakPolarHBondContact CB-O 3.48Å; G553-K572 PolarHBondContact N-O 3.29Å |
| 554 | E | 41 | Very low | 40.7 | Very low | 23 Ų | 23 | 43.8 Ų | 43.8 | 11% | 0.107 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 134.6 | 177.3 | -47.2 | -172.9 | 164.5 | 0 | 0 | 112.1 | K568 D570 I573 | E554-K568 WeakPolarHBondContact OE2-CD 3.01Å; E554-K568 IonicContact OE2-NZ 3.37Å; E554-K568 PolarHBondContact OE2-NZ 2.74Å; E554-K568 VanDerWaalsContact OE2-NZ 3.17Å; E554-D570 PolarHBondContact OE1-N 3.48Å; E554-I573 HydrophobicContact CB-CB 4.42Å; E554-I573 HydrophobicContact CB-CG2 3.83Å; E554-I573 HydrophobicContact CG-CG2 4.2Å; E554-I573 VanDerWaalsContact O-CD1 3.25Å; E554-I573 WeakPolarHBondContact O-CD1 3.41Å |
| 555 | G | 43.4 | Very low | 40.6 | Very low | 17 Ų | 17 | 46.6 Ų | 46.6 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 132.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | K568 | G555-K568 PolarHBondContact O-NZ 2.79Š|
| 556 | P | 42 | Very low | 40.9 | Very low | 78 Ų | 78 | 46.6 Ų | 46.6 | 51% | 0.506 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -67 | 161.1 | 170.7 | 29.4 | -34.4 | 0 | 0 | 0 | 111.1 | ||
| 557 | Q | 41.7 | Very low | 40.8 | Very low | 22 Ų | 22 | 52 Ų | 52 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | trans | -150.1 | 123.6 | -154.5 | 175.6 | -169.5 | -62 | 0 | 0 | 110.1 | N536 N538 Q547 | N536-Q557 PolarHBondContact ND2-OE1 3.27Å; N538-Q557 HydrophobicContact CB-CG 4.22Å; Q547-Q557 HydrophobicContact CB-CG 3.94Å; Q547-Q557 VanDerWaalsContact CB-OE1 3.25Å; Q547-Q557 VanDerWaalsContact N-NE2 3.15Å; Q547-Q557 VanDerWaalsContact O-CD 3.3Å; Q547-Q557 PolarHBondContact O-NE2 3.05Å; Q547-Q557 PolarHBondContact O-OE1 3.45Å | ||
| 558 | N | 44.7 | Very low | 40.9 | Very low | 70 Ų | 70 | 53.5 Ų | 53.5 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | trans | -128.2 | 88.9 | -159.2 | -92.9 | -73.7 | 0 | 0 | 0 | 114.2 | N538 Q577 | N538-N558 CarbonylContact O-C 3.29Å; N558-Q577 PolarHBondContact OD1-O 2.87Å | ||
| 559 | Q | 41 | Very low | 40.8 | Very low | 23 Ų | 23 | 57.2 Ų | 57.2 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | trans | -115.4 | 129 | 157.4 | -79.1 | 164.8 | -31.6 | 0 | 0 | 108.8 | N538 Q539 E544 G545 E564 | N538-Q559 VanDerWaalsContact CB-CD 3.4Å; N538-Q559 HydrophobicContact CB-CG 3.84Å; N538-Q559 VanDerWaalsContact CG-NE2 3.27Å; N538-Q559 VanDerWaalsContact ND2-CD 3.35Å; N538-Q559 PolarHBondContact ND2-OE1 2.96Å; Q539-Q559 VanDerWaalsContact C-NE2 3.25Å; Q539-Q559 PolarHBondContact O-NE2 3.01Å; E544-Q559 HydrophobicContact CB-CB 4.4Å; E544-Q559 VanDerWaalsContact CD-NE2 3.29Å; E544-Q559 WeakPolarHBondContact OE2-CG 3.48Å; E544-Q559 PolarHBondContact OE2-NE2 2.92Å; G545-Q559 PolarHBondContact O-OE1 2.94Å; Q559-E564 VanDerWaalsContact C-CD 3.48Å; Q559-E564 VanDerWaalsContact CB-CD 3.48Å; Q559-E564 WeakPolarHBondContact CB-OE1 3.25Å; Q559-E564 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 560 | G | 38.1 | Very low | 40.7 | Very low | 42 Ų | 42 | 59.4 Ų | 59.4 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | trans | -146.7 | 44.4 | -158 | 0 | 0 | 0 | 0 | 0 | 111.8 | K562 E564 | G560-K562 PolarHBondContact O-N 2.76Å; G560-E564 PolarHBondContact N-OE1 2.75Å | ||
| 561 | K | 45.1 | Very low | 41.1 | Very low | 25 Ų | 25 | 64.1 Ų | 64.1 | 11% | 0.109 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -67.1 | 5.3 | -168.1 | -71.3 | 168.8 | 160.1 | -130.6 | 0 | 116.9 | A540 K541 K542 G543 E544 E564 | A540-K561 WeakPolarHBondContact O-CG 3.43Å; K541-K561 PolarHBondContact O-NZ 3.47Å; K542-K561 VanDerWaalsContact C-CD 3.42Å; K542-K561 VanDerWaalsContact N-CD 3.27Å; K542-K561 PolarHBondContact O-NZ 2.93Å; G543-K561 VanDerWaalsContact C-CE 3.45Å; G543-K561 VanDerWaalsContact N-CD 3.3Å; G543-K561 PolarHBondContact O-NZ 2.97Å; E544-K561 HydrophobicContact CB-CD 3.83Å; E544-K561 HydrophobicContact CG-CD 4.48Å; E544-K561 VanDerWaalsContact CG-CE 3.47Å; E544-K561 VanDerWaalsContact N-CD 3.25Å; E544-K561 WeakPolarHBondContact OE1-CE 3.29Å; E544-K561 IonicContact OE1-NZ 3.96Å; E544-K561 PolarHBondContact OE1-NZ 3.37Å; E544-K561 WeakPolarHBondContact OE2-CE 3.43Å; E544-K561 IonicContact OE2-NZ 2.67Å; K561-E564 WeakPolarHBondContact CB-OE1 3.03Å; K561-E564 WeakPolarHBondContact CD-OE1 3.19Å; K561-E564 WeakPolarHBondContact CG-OE1 3.33Å; K561-E564 PolarHBondContact N-OE1 3.26Å; K561-E564 VanDerWaalsContact N-OE1 3.09Å |
| 562 | K | 32 | Very low | 40.8 | Very low | 97 Ų | 97 | 64 Ų | 64 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | S | Bend | 59.2 | 120 | -126.4 | -66.2 | -164 | -177.9 | -110.9 | 0 | 112.6 | G560 K581 K582 | G560-K562 PolarHBondContact O-N 2.76Å; K562-K581 HydrophobicContact CD-CB 4.18Å; K562-K581 VanDerWaalsContact CE-CB 3.48Å; K562-K581 HydrophobicContact CG-CB 3.79Å; K562-K581 PolarHBondContact NZ-O 2.98Å; K562-K582 WeakPolarHBondContact CA-O 3.32Å; K562-K582 HydrophobicContact CB-CB 4.01Å; K562-K582 HydrophobicContact CD-CB 4.23Å; K562-K582 HydrophobicContact CD-CD 4.27Å; K562-K582 HydrophobicContact CD-CG 4.23Å; K562-K582 HydrophobicContact CG-CB 4.02Å | |
| 563 | G | 35.1 | Very low | 41.2 | Very low | 18 Ų | 18 | 61 Ų | 61 | 19% | 0.186 | 34% | 0.34 | C | S | . | . | trans | 71.7 | 101 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116 | K582 E584 | G563-K582 PolarHBondContact N-O 2.62Å; G563-E584 VanDerWaalsContact CA-CD 3.5Å; G563-E584 WeakPolarHBondContact CA-OE2 3.47Å | ||
| 564 | E | 40.5 | Very low | 41.1 | Very low | 29 Ų | 29 | 62.9 Ų | 62.9 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | trans | -153.4 | 143.8 | 174.6 | -60.7 | -179.3 | -133.9 | 0 | 0 | 109.4 | E544 Q559 G560 K561 | E544-E564 WeakPolarHBondContact CB-OE2 3.37Å; Q559-E564 VanDerWaalsContact C-CD 3.48Å; Q559-E564 VanDerWaalsContact CB-CD 3.48Å; Q559-E564 WeakPolarHBondContact CB-OE1 3.25Å; Q559-E564 WeakPolarHBondContact CB-OE2 3.5Å; G560-E564 PolarHBondContact N-OE1 2.75Å; K561-E564 WeakPolarHBondContact CB-OE1 3.03Å; K561-E564 WeakPolarHBondContact CD-OE1 3.19Å; K561-E564 WeakPolarHBondContact CG-OE1 3.33Å; K561-E564 PolarHBondContact N-OE1 3.26Å; K561-E564 VanDerWaalsContact N-OE1 3.09Å | ||
| 565 | A | 36.8 | Very low | 41.2 | Very low | 86 Ų | 86 | 64.3 Ų | 64.3 | 71% | 0.711 | 36% | 0.362 | S | S | * | . | trans | -97.7 | 120.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 566 | A | 46.5 | Very low | 41.5 | Very low | 31 Ų | 31 | 65 Ų | 65 | 26% | 0.256 | 37% | 0.366 | S | S | . | . | trans | -104.5 | 113 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | T586 | A566-T586 HydrophobicContact CB-CG2 4.01Š| ||
| 567 | Q | 40.1 | Very low | 41.6 | Very low | 148 Ų | 148 | 65.9 Ų | 65.9 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 115.2 | 179.5 | -176.5 | -178.6 | 62.3 | 0 | 0 | 109.1 | N548 | N548-Q567 PolarHBondContact ND2-O 3.06Å |
| 568 | K | 46.4 | Very low | 42 | Very low | 33 Ų | 33 | 66 Ų | 66 | 14% | 0.143 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.3 | -175.7 | -72.3 | -143.5 | 178.9 | -176.4 | 0 | 112.2 | E554 G555 | E554-K568 WeakPolarHBondContact OE2-CD 3.01Å; E554-K568 IonicContact OE2-NZ 3.37Å; E554-K568 PolarHBondContact OE2-NZ 2.74Å; E554-K568 VanDerWaalsContact OE2-NZ 3.17Å; G555-K568 PolarHBondContact O-NZ 2.79Å |
| 569 | Q | 39.8 | Very low | 42 | Very low | 132 Ų | 132 | 68.4 Ų | 68.4 | 62% | 0.617 | 37% | 0.374 | S | S | * | . | trans | -157.5 | 66.7 | -157.4 | -163.8 | -177.9 | 77.3 | 0 | 0 | 115.4 | ||||
| 570 | D | 40.7 | Very low | 42.3 | Very low | 57 Ų | 57 | 68.4 Ų | 68.4 | 31% | 0.305 | 38% | 0.38 | S | S | . | . | trans | -155.6 | 175 | 158.8 | -136.2 | -39 | 0 | 0 | 0 | 116.4 | T550 E554 K572 | T550-D570 WeakPolarHBondContact CB-OD2 3.48Å; T550-D570 HydrophobicContact CG2-CB 3.63Å; T550-D570 PolarHBondContact OG1-OD2 3.14Å; E554-D570 PolarHBondContact OE1-N 3.48Å; D570-K572 VanDerWaalsContact C-N 3.32Å; D570-K572 PolarHBondContact O-N 3.11Å | ||
| 571 | K | 46.1 | Very low | 42.7 | Very low | 145 Ų | 145 | 73.2 Ų | 73.2 | 63% | 0.63 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -74.3 | -0.7 | -148.4 | -74.4 | 159.4 | -178.2 | 162.9 | 0 | 117.5 | K552 | K552-K571 HydrophobicContact CG-CB 4.05Š|
| 572 | K | 40.2 | Very low | 42.8 | Very low | 99 Ų | 99 | 75.6 Ų | 75.6 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | trans | -174.3 | 126.6 | 161.6 | -154.9 | 174.9 | -171.8 | -95.2 | 0 | 111.6 | K552 G553 D570 E574 | K552-K572 CarbonylContact C-O 3.59Å; G553-K572 PolarHBondContact N-O 3.29Å; D570-K572 VanDerWaalsContact C-N 3.32Å; D570-K572 PolarHBondContact O-N 3.11Å; K572-E574 VanDerWaalsContact CE-OE1 3.25Å; K572-E574 WeakPolarHBondContact CE-OE1 3.36Å; K572-E574 IonicContact NZ-OE1 2.75Å; K572-E574 PolarHBondContact NZ-OE1 3.11Å; K572-E574 IonicContact NZ-OE2 2.62Å; K572-E574 PolarHBondContact NZ-OE2 3.37Å | ||
| 573 | I | 45.1 | Very low | 43.7 | Very low | 78 Ų | 78 | 71.5 Ų | 71.5 | 40% | 0.4 | 38% | 0.382 | S | S | . | . | -153.8 | 175.1 | 129 | -136.9 | -172.1 | 0 | 0 | 0 | 109.5 | E554 | E554-I573 HydrophobicContact CB-CB 4.42Å; E554-I573 HydrophobicContact CB-CG2 3.83Å; E554-I573 HydrophobicContact CG-CG2 4.2Å; E554-I573 VanDerWaalsContact O-CD1 3.25Å; E554-I573 WeakPolarHBondContact O-CD1 3.41Å | |||
| 574 | E | 37.8 | Very low | 44.4 | Very low | 67 Ų | 67 | 73.2 Ų | 73.2 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | trans | -132.9 | 135.1 | -170.2 | -70.3 | 151.8 | 159.1 | 0 | 0 | 106.9 | K572 K592 E594 | K572-E574 VanDerWaalsContact CE-OE1 3.25Å; K572-E574 WeakPolarHBondContact CE-OE1 3.36Å; K572-E574 IonicContact NZ-OE1 2.75Å; K572-E574 PolarHBondContact NZ-OE1 3.11Å; K572-E574 IonicContact NZ-OE2 2.62Å; K572-E574 PolarHBondContact NZ-OE2 3.37Å; E574-K592 WeakPolarHBondContact OE1-CD 3.1Å; E574-K592 IonicContact OE1-NZ 3.82Å; E574-K592 PolarHBondContact OE1-NZ 3.06Å; E574-E594 VanDerWaalsContact CB-OE2 3.31Å; E574-E594 WeakPolarHBondContact CB-OE2 3.44Å; E574-E594 WeakPolarHBondContact CG-OE1 3.03Å | ||
| 575 | G | 42.9 | Very low | 44.8 | Very low | 53 Ų | 53 | 73.4 Ų | 73.4 | 55% | 0.546 | 40% | 0.395 | S | S | . | . | trans | 93.6 | 114 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 576 | A | 48.6 | Very low | 45.5 | Very low | 33 Ų | 33 | 69.9 Ų | 69.9 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | trans | -139.5 | 135.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A596 Q597 | A576-A596 HydrophobicContact CB-CB 4.28Å; A576-A596 VanDerWaalsContact O-CA 3.31Å; A576-A596 WeakPolarHBondContact O-CA 3.41Å; A576-Q597 PolarHBondContact O-N 3.43Å | ||
| 577 | Q | 44.7 | Very low | 45.6 | Very low | 95 Ų | 95 | 70.2 Ų | 70.2 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.1 | 174.9 | -76.2 | -168.9 | -24.6 | 0 | 0 | 110.9 | N558 | N558-Q577 PolarHBondContact OD1-O 2.87Å |
| 578 | N | 49.9 | Very low | 46.3 | Very low | 26 Ų | 26 | 64.7 Ų | 64.7 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 109.6 | 170.4 | -66.9 | -47.9 | 0 | 0 | 0 | 109.8 | P583 T586 Q597 | N578-P583 HydrophobicContact CB-CB 4.05Å; N578-T586 WeakPolarHBondContact ND2-CG2 3.19Å; N578-Q597 PolarHBondContact N-O 3.31Å |
| 579 | Q | 44.9 | Very low | 46.5 | Very low | 120 Ų | 120 | 68 Ų | 68 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.8 | 178.8 | -61 | -172.7 | 16.7 | 0 | 0 | 111.3 | ||
| 580 | G | 46.8 | Very low | 47.1 | Very low | 22 Ų | 22 | 63 Ų | 63 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -179.6 | 169.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | K582 P583 Q599 G600 | G580-K582 PolarHBondContact O-N 3Å; G580-P583 VanDerWaalsContact O-CD 3.31Å; G580-P583 WeakPolarHBondContact O-CD 3.49Å; G580-Q599 PolarHBondContact N-O 2.73Å; G580-G600 WeakPolarHBondContact O-CA 3.29Å |
| 581 | K | 47.7 | Very low | 47.7 | Very low | 143 Ų | 143 | 67.5 Ų | 67.5 | 62% | 0.622 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -76 | 1.5 | 173.3 | -68.5 | 176.5 | -179.9 | 172.5 | 0 | 113.4 | K562 | K562-K581 HydrophobicContact CD-CB 4.18Å; K562-K581 VanDerWaalsContact CE-CB 3.48Å; K562-K581 HydrophobicContact CG-CB 3.79Å; K562-K581 PolarHBondContact NZ-O 2.98Å |
| 582 | K | 46.9 | Very low | 47.9 | Very low | 76 Ų | 76 | 64.1 Ų | 64.1 | 33% | 0.33 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -172.8 | 87.8 | 170.1 | -88.6 | -175 | 121.5 | -144.9 | 0 | 105.8 | K562 G563 G580 E584 | K562-K582 WeakPolarHBondContact CA-O 3.32Å; K562-K582 HydrophobicContact CB-CB 4.01Å; K562-K582 HydrophobicContact CD-CB 4.23Å; K562-K582 HydrophobicContact CD-CD 4.27Å; K562-K582 HydrophobicContact CD-CG 4.23Å; K562-K582 HydrophobicContact CG-CB 4.02Å; G563-K582 PolarHBondContact N-O 2.62Å; G580-K582 PolarHBondContact O-N 3Å; K582-E584 VanDerWaalsContact CD-OE1 3.3Å; K582-E584 WeakPolarHBondContact CD-OE1 3.45Å; K582-E584 WeakPolarHBondContact CE-OE1 3Å; K582-E584 IonicContact NZ-OE1 3.56Å; K582-E584 PolarHBondContact NZ-OE1 3.03Å |
| 583 | P | 49.7 | Very low | 48.6 | Very low | 10 Ų | 10 | 59.7 Ų | 59.7 | 7% | 0.065 | 33% | 0.325 | C | S | . | . | trans | -67.8 | 139.6 | 150.2 | 28.2 | -34.6 | 0 | 0 | 0 | 109.3 | N578 G580 N598 K602 | N578-P583 HydrophobicContact CB-CB 4.05Å; G580-P583 VanDerWaalsContact O-CD 3.31Å; G580-P583 WeakPolarHBondContact O-CD 3.49Å; P583-N598 HydrophobicContact CG-CB 4.25Å; P583-K602 VanDerWaalsContact CD-O 3.32Å; P583-K602 WeakPolarHBondContact CD-O 3.47Å | ||
| 584 | E | 49.6 | Very low | 49.1 | Very low | 55 Ų | 55 | 58.4 Ų | 58.4 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | trans | -123.7 | 152.2 | 174.6 | -74.2 | 156.6 | -158.7 | 0 | 0 | 106.2 | G563 K582 | G563-E584 VanDerWaalsContact CA-CD 3.5Å; G563-E584 WeakPolarHBondContact CA-OE2 3.47Å; K582-E584 VanDerWaalsContact CD-OE1 3.3Å; K582-E584 WeakPolarHBondContact CD-OE1 3.45Å; K582-E584 WeakPolarHBondContact CE-OE1 3Å; K582-E584 IonicContact NZ-OE1 3.56Å; K582-E584 PolarHBondContact NZ-OE1 3.03Å | ||
| 585 | G | 49.2 | Very low | 49.9 | Very low | 33 Ų | 33 | 56.1 Ų | 56.1 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | trans | -65 | 147.7 | -153.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 586 | T | 51.8 | Low | 50.5 | Low | 12 Ų | 12 | 53.7 Ų | 53.7 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | trans | -86.4 | 145 | 167.7 | 39.4 | 0 | 0 | 0 | 0 | 112 | A566 N578 A606 Q607 | A566-T586 HydrophobicContact CB-CG2 4.01Å; N578-T586 WeakPolarHBondContact ND2-CG2 3.19Å; T586-A606 WeakPolarHBondContact O-CA 3.3Å; T586-A606 WeakPolarHBondContact OG1-CB 3.32Å; T586-Q607 PolarHBondContact O-N 2.62Å | ||
| 587 | S | 49.7 | Very low | 50.8 | Low | 38 Ų | 38 | 54.9 Ų | 54.9 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.6 | 171.1 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 588 | N | 53.7 | Low | 51.5 | Low | 32 Ų | 32 | 50.3 Ų | 50.3 | 17% | 0.171 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 114.6 | -175.9 | -71.5 | -22 | 0 | 0 | 0 | 110.3 | E594 Q607 N608 Q609 | N588-E594 PolarHBondContact ND2-O 3.4Å; N588-Q607 PolarHBondContact N-O 2.9Å; N588-N608 WeakPolarHBondContact CB-OD1 3.12Å; N588-N608 PolarHBondContact ND2-OD1 3.28Å; N588-Q609 PolarHBondContact O-N 2.89Å |
| 589 | Q | 51.3 | Low | 51.8 | Low | 103 Ų | 103 | 53 Ų | 53 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 109.9 | 176.8 | -67.1 | -176.5 | -15.7 | 0 | 0 | 110.6 | Q609 | Q589-Q609 HydrophobicContact CG-CB 4.48Å |
| 590 | G | 51.1 | Low | 52.3 | Low | 27 Ų | 27 | 48.3 Ų | 48.3 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 175.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117 | Q609 G610 | G590-Q609 PolarHBondContact N-O 3.4Å; G590-Q609 VanDerWaalsContact N-O 3.09Å; G590-G610 WeakPolarHBondContact O-CA 3.41Å |
| 591 | K | 53.5 | Low | 52.9 | Low | 151 Ų | 151 | 53.7 Ų | 53.7 | 66% | 0.657 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -43.4 | 174.7 | -82.8 | -172.3 | 176.8 | -178.4 | 0 | 111.8 | K611 K612 | K591-K611 WeakPolarHBondContact O-CB 3.34Å; K591-K611 PolarHBondContact O-N 2.82Å; K591-K612 PolarHBondContact O-N 2.92Å |
| 592 | K | 51.5 | Low | 53.4 | Low | 73 Ų | 73 | 49.5 Ų | 49.5 | 32% | 0.317 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.3 | 156.9 | -62.2 | -177.7 | 83.3 | -146.4 | 0 | 106.4 | E574 E594 | E574-K592 WeakPolarHBondContact OE1-CD 3.1Å; E574-K592 IonicContact OE1-NZ 3.82Å; E574-K592 PolarHBondContact OE1-NZ 3.06Å; K592-E594 IonicContact NZ-OE1 2.65Å; K592-E594 PolarHBondContact NZ-OE1 3.46Å |
| 593 | G | 53.9 | Low | 53.9 | Low | 6 Ų | 6 | 45.9 Ų | 45.9 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 122.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | K612 G613 E614 | G593-K612 PolarHBondContact N-O 3.21Å; G593-G613 WeakPolarHBondContact O-CA 3.36Å; G593-E614 PolarHBondContact O-N 3.46Å |
| 594 | E | 55.7 | Low | 54.5 | Low | 51 Ų | 51 | 47.6 Ų | 47.6 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | trans | -106.1 | 142.4 | 176 | -74.8 | 170.8 | -156.6 | 0 | 0 | 109.4 | E574 N588 K592 E614 | E574-E594 VanDerWaalsContact CB-OE2 3.31Å; E574-E594 WeakPolarHBondContact CB-OE2 3.44Å; E574-E594 WeakPolarHBondContact CG-OE1 3.03Å; N588-E594 PolarHBondContact ND2-O 3.4Å; K592-E594 IonicContact NZ-OE1 2.65Å; K592-E594 PolarHBondContact NZ-OE1 3.46Å; E594-E614 HydrophobicContact CG-CB 4.25Å | ||
| 595 | G | 54 | Low | 54.8 | Low | 20 Ų | 20 | 45.8 Ų | 45.8 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 149.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E614 | G595-E614 WeakPolarHBondContact CA-O 3.49Å; G595-E614 PolarHBondContact N-O 3.03Å |
| 596 | A | 56.6 | Low | 55.4 | Low | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 151.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A576 A616 Q617 | A576-A596 HydrophobicContact CB-CB 4.28Å; A576-A596 VanDerWaalsContact O-CA 3.31Å; A576-A596 WeakPolarHBondContact O-CA 3.41Å; A596-A616 WeakPolarHBondContact O-CA 3.39Å; A596-A616 WeakPolarHBondContact O-CB 3.21Å; A596-Q617 PolarHBondContact O-N 3.47Å |
| 597 | Q | 54.6 | Low | 55.8 | Low | 58 Ų | 58 | 46.8 Ų | 46.8 | 27% | 0.271 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.3 | 167.6 | -164 | -172.2 | 28.3 | 0 | 0 | 109.5 | A576 N578 Q617 | A576-Q597 PolarHBondContact O-N 3.43Å; N578-Q597 PolarHBondContact N-O 3.31Å; Q597-Q617 HydrophobicContact CG-CB 4.32Å |
| 598 | N | 59.4 | Low | 56.5 | Low | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 118 | -177.1 | -68.4 | -39.2 | 0 | 0 | 0 | 110.8 | P583 E604 Q617 N618 Q619 | P583-N598 HydrophobicContact CG-CB 4.25Å; N598-E604 PolarHBondContact ND2-O 3.15Å; N598-Q617 PolarHBondContact N-O 3.42Å; N598-N618 WeakPolarHBondContact CB-OD1 3.47Å; N598-N618 PolarHBondContact ND2-OD1 3.16Å; N598-Q619 PolarHBondContact O-N 2.96Å |
| 599 | Q | 55.5 | Low | 56.8 | Low | 83 Ų | 83 | 46.4 Ų | 46.4 | 39% | 0.388 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.8 | 175.8 | -62.5 | -177 | 8.3 | 0 | 0 | 110.2 | G580 | G580-Q599 PolarHBondContact N-O 2.73Å |
| 600 | G | 57.1 | Low | 57.4 | Low | 20 Ų | 20 | 42.6 Ų | 42.6 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | 179 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | G580 Q619 G620 | G580-G600 WeakPolarHBondContact O-CA 3.29Å; G600-Q619 PolarHBondContact N-O 3.48Å; G600-Q619 VanDerWaalsContact N-O 3.15Å; G600-G620 WeakPolarHBondContact O-CA 3.37Å |
| 601 | K | 58.5 | Low | 58.2 | Low | 136 Ų | 136 | 47.8 Ų | 47.8 | 59% | 0.591 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -35.9 | 175.3 | -78.5 | -170.1 | 176.5 | -177.5 | 0 | 112.4 | K621 K622 | K601-K621 WeakPolarHBondContact O-CB 3.43Å; K601-K621 PolarHBondContact O-N 2.67Å; K601-K622 PolarHBondContact O-N 2.78Å |
| 602 | K | 57.6 | Low | 58.6 | Low | 55 Ų | 55 | 43.5 Ų | 43.5 | 24% | 0.239 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142.5 | 155.8 | -80.5 | 178.4 | 116.4 | -73.2 | 0 | 105.8 | P583 E604 K622 E624 | P583-K602 VanDerWaalsContact CD-O 3.32Å; P583-K602 WeakPolarHBondContact CD-O 3.47Å; K602-E604 IonicContact NZ-OE1 3.81Å; K602-E604 PolarHBondContact NZ-OE1 2.73Å; K602-K622 WeakPolarHBondContact CA-O 3.14Å; K602-K622 HydrophobicContact CG-CB 4.14Å; K602-K622 HydrophobicContact CG-CD 4.34Å; K602-E624 IonicContact NZ-OE1 2.67Å; K602-E624 PolarHBondContact NZ-OE1 2.66Å; K602-E624 IonicContact NZ-OE2 3.31Å; K602-E624 PolarHBondContact NZ-OE2 2.71Å |
| 603 | G | 58.7 | Low | 59.1 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | K622 G623 E624 | G603-K622 PolarHBondContact N-O 3.07Å; G603-G623 WeakPolarHBondContact O-CA 3.07Å; G603-E624 PolarHBondContact O-N 3.04Å |
| 604 | E | 60.9 | Low | 59.7 | Low | 45 Ų | 45 | 41.7 Ų | 41.7 | 21% | 0.21 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.4 | -177.6 | -71.9 | 158.9 | -145 | 0 | 0 | 108.2 | N598 K602 E624 | N598-E604 PolarHBondContact ND2-O 3.15Å; K602-E604 IonicContact NZ-OE1 3.81Å; K602-E604 PolarHBondContact NZ-OE1 2.73Å; E604-E624 HydrophobicContact CG-CB 4.33Å; E604-E624 WeakPolarHBondContact CG-OE2 3.41Å |
| 605 | G | 57 | Low | 60 | Low | 18 Ų | 18 | 40.3 Ų | 40.3 | 19% | 0.186 | 21% | 0.21 | C | C | . | . | trans | -65.5 | 159.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E624 | G605-E624 WeakPolarHBondContact CA-O 3.32Å; G605-E624 PolarHBondContact N-O 3.38Å | ||
| 606 | A | 62.4 | Low | 60.5 | Low | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | trans | -76.7 | 154.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T586 A616 A626 Q627 | T586-A606 WeakPolarHBondContact O-CA 3.3Å; T586-A606 WeakPolarHBondContact OG1-CB 3.32Å; A606-A616 HydrophobicContact CB-CB 4.38Å; A606-A626 WeakPolarHBondContact O-CA 3.36Å; A606-A626 WeakPolarHBondContact O-CB 3.37Å; A606-Q627 PolarHBondContact O-N 3.43Å; A606-Q627 VanDerWaalsContact O-N 3.08Å | ||
| 607 | Q | 59.7 | Low | 60.9 | Low | 64 Ų | 64 | 43.2 Ų | 43.2 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 114.8 | 166.9 | -167.5 | -176.1 | 43.7 | 0 | 0 | 109.5 | T586 N588 Q627 | T586-Q607 PolarHBondContact O-N 2.62Å; N588-Q607 PolarHBondContact N-O 2.9Å; Q607-Q627 WeakPolarHBondContact CA-O 3.17Å; Q607-Q627 HydrophobicContact CG-CB 4.04Å |
| 608 | N | 64.1 | Low | 61.6 | Low | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.5 | 179.6 | -65 | -52.5 | 0 | 0 | 0 | 110.6 | N588 E614 Q627 N628 Q629 | N588-N608 WeakPolarHBondContact CB-OD1 3.12Å; N588-N608 PolarHBondContact ND2-OD1 3.28Å; N608-E614 PolarHBondContact ND2-O 2.89Å; N608-Q627 PolarHBondContact N-O 3.4Å; N608-N628 WeakPolarHBondContact CB-OD1 3.15Å; N608-N628 PolarHBondContact ND2-OD1 2.82Å; N608-Q629 PolarHBondContact O-N 3.3Å |
| 609 | Q | 60.7 | Low | 61.8 | Low | 63 Ų | 63 | 44.2 Ų | 44.2 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.3 | 173.9 | -65.3 | -179.5 | -2.6 | 0 | 0 | 109.9 | N588 Q589 G590 Q629 | N588-Q609 PolarHBondContact O-N 2.89Å; Q589-Q609 HydrophobicContact CG-CB 4.48Å; G590-Q609 PolarHBondContact N-O 3.4Å; G590-Q609 VanDerWaalsContact N-O 3.09Å; Q609-Q629 HydrophobicContact CG-CB 4.46Å |
| 610 | G | 62.2 | Low | 62.2 | Low | 22 Ų | 22 | 41.4 Ų | 41.4 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | -172.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | G590 Q629 G630 | G590-G610 WeakPolarHBondContact O-CA 3.41Å; G610-Q629 PolarHBondContact N-O 3.37Å; G610-Q629 VanDerWaalsContact N-O 3.12Å; G610-G630 WeakPolarHBondContact O-CA 3.45Å |
| 611 | K | 67.7 | Low | 62.8 | Low | 137 Ų | 137 | 46.3 Ų | 46.3 | 60% | 0.596 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -37.4 | 173.3 | -72 | -172.2 | 177.3 | -176.6 | 0 | 111.5 | K591 K631 K632 | K591-K611 WeakPolarHBondContact O-CB 3.34Å; K591-K611 PolarHBondContact O-N 2.82Å; K611-K631 WeakPolarHBondContact O-CB 3.36Å; K611-K631 PolarHBondContact O-N 3.12Å; K611-K632 PolarHBondContact O-N 3.34Å |
| 612 | K | 62.3 | Low | 63.2 | Low | 60 Ų | 60 | 42.6 Ų | 42.6 | 26% | 0.261 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.4 | 168.1 | -131.4 | -176.4 | 169.3 | -71.8 | 0 | 107 | K591 G593 E614 K632 E634 | K591-K612 PolarHBondContact O-N 2.92Å; G593-K612 PolarHBondContact N-O 3.21Å; K612-E614 VanDerWaalsContact CD-OE1 3.31Å; K612-E614 WeakPolarHBondContact CD-OE1 3.45Å; K612-E614 WeakPolarHBondContact CE-OE1 3.28Å; K612-E614 VanDerWaalsContact NZ-CD 3.34Å; K612-E614 IonicContact NZ-OE1 2.6Å; K612-E614 PolarHBondContact NZ-OE1 3.08Å; K612-K632 HydrophobicContact CG-CB 4.18Å; K612-K632 HydrophobicContact CG-CD 4.39Å; K612-E634 IonicContact NZ-OE1 2.79Å; K612-E634 PolarHBondContact NZ-OE1 3.24Å; K612-E634 IonicContact NZ-OE2 3.95Å; K612-E634 PolarHBondContact NZ-OE2 3.38Å |
| 613 | G | 63.3 | Low | 63.7 | Low | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G593 K632 G633 E634 | G593-G613 WeakPolarHBondContact O-CA 3.36Å; G613-K632 PolarHBondContact N-O 2.88Å; G613-K632 VanDerWaalsContact N-O 3.12Å; G613-G633 WeakPolarHBondContact O-CA 3.41Å; G613-E634 PolarHBondContact O-N 3.26Å |
| 614 | E | 65.7 | Low | 64.1 | Low | 41 Ų | 41 | 41.9 Ų | 41.9 | 19% | 0.192 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.2 | -177.1 | -72.6 | 158.5 | -134.1 | 0 | 0 | 109.6 | G593 E594 G595 N608 K612 E634 | G593-E614 PolarHBondContact O-N 3.46Å; E594-E614 HydrophobicContact CG-CB 4.25Å; G595-E614 WeakPolarHBondContact CA-O 3.49Å; G595-E614 PolarHBondContact N-O 3.03Å; N608-E614 PolarHBondContact ND2-O 2.89Å; K612-E614 VanDerWaalsContact CD-OE1 3.31Å; K612-E614 WeakPolarHBondContact CD-OE1 3.45Å; K612-E614 WeakPolarHBondContact CE-OE1 3.28Å; K612-E614 VanDerWaalsContact NZ-CD 3.34Å; K612-E614 IonicContact NZ-OE1 2.6Å; K612-E614 PolarHBondContact NZ-OE1 3.08Å; E614-E634 HydrophobicContact CG-CB 4.26Å |
| 615 | G | 61.6 | Low | 64.2 | Low | 21 Ų | 21 | 40.8 Ų | 40.8 | 22% | 0.216 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 159.1 | -167 | 0 | 0 | 0 | 0 | 0 | 115.3 | E634 | G615-E634 WeakPolarHBondContact CA-O 3.33Å; G615-E634 PolarHBondContact N-O 2.82Å |
| 616 | A | 65.8 | Low | 64.8 | Low | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 153.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A596 A606 A626 A636 Q637 | A596-A616 WeakPolarHBondContact O-CA 3.39Å; A596-A616 WeakPolarHBondContact O-CB 3.21Å; A606-A616 HydrophobicContact CB-CB 4.38Å; A616-A626 HydrophobicContact CB-CB 4.09Å; A616-A636 WeakPolarHBondContact O-CA 3.37Å; A616-A636 WeakPolarHBondContact O-CB 3.48Å; A616-Q637 PolarHBondContact O-N 2.92Å; A616-Q637 VanDerWaalsContact O-N 3.14Å |
| 617 | Q | 64.3 | Low | 65 | Low | 81 Ų | 81 | 43.5 Ų | 43.5 | 38% | 0.379 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120 | 164.3 | -90 | -170.9 | -15.3 | 0 | 0 | 109.8 | A596 Q597 N598 Q637 | A596-Q617 PolarHBondContact O-N 3.47Å; Q597-Q617 HydrophobicContact CG-CB 4.32Å; N598-Q617 PolarHBondContact N-O 3.42Å; Q617-Q637 HydrophobicContact CG-CB 4.09Å |
| 618 | N | 68.6 | Low | 65.6 | Low | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.9 | 178.3 | -64.5 | -51.2 | 0 | 0 | 0 | 110.7 | N598 E624 Q637 N638 Q639 | N598-N618 WeakPolarHBondContact CB-OD1 3.47Å; N598-N618 PolarHBondContact ND2-OD1 3.16Å; N618-E624 PolarHBondContact ND2-O 2.69Å; N618-Q637 PolarHBondContact N-O 2.97Å; N618-N638 WeakPolarHBondContact CB-OD1 3.42Å; N618-N638 PolarHBondContact ND2-OD1 3.24Å; N618-Q639 PolarHBondContact O-N 2.93Å |
| 619 | Q | 64.1 | Low | 65.9 | Low | 79 Ų | 79 | 43.9 Ų | 43.9 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.8 | 174.1 | -68.2 | -179.6 | -7.9 | 0 | 0 | 110.5 | N598 G600 | N598-Q619 PolarHBondContact O-N 2.96Å; G600-Q619 PolarHBondContact N-O 3.48Å; G600-Q619 VanDerWaalsContact N-O 3.15Å |
| 620 | G | 64.4 | Low | 66.2 | Low | 23 Ų | 23 | 41.9 Ų | 41.9 | 24% | 0.237 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -180 | -171.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | G600 Q639 G640 | G600-G620 WeakPolarHBondContact O-CA 3.37Å; G620-Q639 PolarHBondContact N-O 2.91Å; G620-Q639 VanDerWaalsContact N-O 3.13Å; G620-G640 WeakPolarHBondContact O-CA 3.46Å |
| 621 | K | 70 | Confident | 66.8 | Low | 124 Ų | 124 | 46.9 Ų | 46.9 | 54% | 0.539 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -31.7 | 171.6 | -72.3 | -170.6 | 176.9 | -175.2 | 0 | 111.7 | K601 K641 K642 | K601-K621 WeakPolarHBondContact O-CB 3.43Å; K601-K621 PolarHBondContact O-N 2.67Å; K621-K641 WeakPolarHBondContact O-CB 3.41Å; K621-K641 PolarHBondContact O-N 2.94Å; K621-K642 PolarHBondContact O-N 3.43Å; K621-K642 VanDerWaalsContact O-N 3.08Å |
| 622 | K | 66.8 | Low | 67 | Low | 57 Ų | 57 | 44.4 Ų | 44.4 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.1 | 164 | -95.6 | -179.6 | 134.3 | -72.8 | 0 | 107.9 | K601 K602 G603 E624 K642 E644 | K601-K622 PolarHBondContact O-N 2.78Å; K602-K622 WeakPolarHBondContact CA-O 3.14Å; K602-K622 HydrophobicContact CG-CB 4.14Å; K602-K622 HydrophobicContact CG-CD 4.34Å; G603-K622 PolarHBondContact N-O 3.07Å; K622-E624 IonicContact NZ-OE1 3.64Å; K622-E624 PolarHBondContact NZ-OE1 3.07Å; K622-K642 WeakPolarHBondContact CA-O 3.45Å; K622-K642 HydrophobicContact CG-CB 4.05Å; K622-K642 HydrophobicContact CG-CD 4.45Å; K622-E644 IonicContact NZ-OE1 3.92Å; K622-E644 PolarHBondContact NZ-OE1 2.9Å; K622-E644 IonicContact NZ-OE2 2.59Å |
| 623 | G | 66.4 | Low | 67.3 | Low | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.6 | 166 | 0 | 0 | 0 | 0 | 0 | 109.5 | G603 K642 G643 E644 | G603-G623 WeakPolarHBondContact O-CA 3.07Å; G623-K642 PolarHBondContact N-O 2.73Å; G623-G643 WeakPolarHBondContact O-CA 3.37Å; G623-E644 PolarHBondContact O-N 2.95Å |
| 624 | E | 68 | Low | 67.6 | Low | 40 Ų | 40 | 43.6 Ų | 43.6 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.8 | -177.6 | -71.4 | 154.2 | -137.6 | 0 | 0 | 108 | K602 G603 E604 G605 N618 K622 E644 | K602-E624 IonicContact NZ-OE1 2.67Å; K602-E624 PolarHBondContact NZ-OE1 2.66Å; K602-E624 IonicContact NZ-OE2 3.31Å; K602-E624 PolarHBondContact NZ-OE2 2.71Å; G603-E624 PolarHBondContact O-N 3.04Å; E604-E624 HydrophobicContact CG-CB 4.33Å; E604-E624 WeakPolarHBondContact CG-OE2 3.41Å; G605-E624 WeakPolarHBondContact CA-O 3.32Å; G605-E624 PolarHBondContact N-O 3.38Å; N618-E624 PolarHBondContact ND2-O 2.69Å; K622-E624 IonicContact NZ-OE1 3.64Å; K622-E624 PolarHBondContact NZ-OE1 3.07Å; E624-E644 HydrophobicContact CG-CB 4.43Å |
| 625 | G | 63.6 | Low | 67.7 | Low | 22 Ų | 22 | 42.8 Ų | 42.8 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | trans | -66.4 | 165.7 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | E644 | G625-E644 WeakPolarHBondContact CA-O 3.49Å; G625-E644 PolarHBondContact N-O 3.23Å | ||
| 626 | A | 69.3 | Low | 68.1 | Low | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | trans | -80.2 | 155.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A606 A616 A636 A646 Q647 | A606-A626 WeakPolarHBondContact O-CA 3.36Å; A606-A626 WeakPolarHBondContact O-CB 3.37Å; A616-A626 HydrophobicContact CB-CB 4.09Å; A626-A636 HydrophobicContact CB-CB 4.06Å; A626-A646 VanDerWaalsContact O-CA 3.31Å; A626-A646 WeakPolarHBondContact O-CA 3.37Å; A626-A646 WeakPolarHBondContact O-CB 3.31Å; A626-Q647 PolarHBondContact O-N 2.79Å | ||
| 627 | Q | 67 | Low | 68.2 | Low | 74 Ų | 74 | 45 Ų | 45 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.1 | 166.2 | -89.4 | -172.1 | -11.1 | 0 | 0 | 110 | A606 Q607 N608 Q647 | A606-Q627 PolarHBondContact O-N 3.43Å; A606-Q627 VanDerWaalsContact O-N 3.08Å; Q607-Q627 WeakPolarHBondContact CA-O 3.17Å; Q607-Q627 HydrophobicContact CG-CB 4.04Å; N608-Q627 PolarHBondContact N-O 3.4Å; Q627-Q647 WeakPolarHBondContact CA-O 3.49Å; Q627-Q647 HydrophobicContact CG-CB 3.88Å |
| 628 | N | 72.3 | Confident | 68.7 | Low | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.2 | 173.9 | -56.3 | -69.5 | 0 | 0 | 0 | 110.9 | N608 E634 Q647 N648 Q649 | N608-N628 WeakPolarHBondContact CB-OD1 3.15Å; N608-N628 PolarHBondContact ND2-OD1 2.82Å; N628-E634 PolarHBondContact ND2-O 3.45Å; N628-Q647 PolarHBondContact N-O 3.25Å; N628-N648 WeakPolarHBondContact CB-OD1 3.37Å; N628-N648 PolarHBondContact ND2-OD1 2.74Å; N628-Q649 PolarHBondContact O-N 2.98Å |
| 629 | Q | 69.3 | Low | 68.7 | Low | 72 Ų | 72 | 45.1 Ų | 45.1 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 115.9 | 173.6 | -69.8 | -179.3 | -20.8 | 0 | 0 | 110 | N608 Q609 G610 Q649 | N608-Q629 PolarHBondContact O-N 3.3Å; Q609-Q629 HydrophobicContact CG-CB 4.46Å; G610-Q629 PolarHBondContact N-O 3.37Å; G610-Q629 VanDerWaalsContact N-O 3.12Å; Q629-Q649 HydrophobicContact CG-CB 4.28Å |
| 630 | G | 67 | Low | 68.9 | Low | 21 Ų | 21 | 42.4 Ų | 42.4 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | -170.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | G610 Q649 G650 | G610-G630 WeakPolarHBondContact O-CA 3.45Å; G630-Q649 PolarHBondContact N-O 3.2Å; G630-Q649 VanDerWaalsContact N-O 3.1Å; G630-G650 WeakPolarHBondContact O-CA 3.43Å |
| 631 | K | 75.5 | Confident | 69.4 | Low | 126 Ų | 126 | 47 Ų | 47 | 55% | 0.548 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -36.6 | 173.7 | -73.3 | -170.4 | 177.1 | -174.5 | 0 | 111.6 | K611 K651 K652 | K611-K631 WeakPolarHBondContact O-CB 3.36Å; K611-K631 PolarHBondContact O-N 3.12Å; K631-K651 PolarHBondContact O-N 2.9Å; K631-K652 PolarHBondContact O-N 3.37Å; K631-K652 VanDerWaalsContact O-N 3.15Å |
| 632 | K | 72.1 | Confident | 69.5 | Low | 85 Ų | 85 | 45.4 Ų | 45.4 | 37% | 0.37 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135.1 | 162.9 | -75.4 | -170.9 | 164.4 | -150.2 | 0 | 108.9 | K611 K612 G613 K652 | K611-K632 PolarHBondContact O-N 3.34Å; K612-K632 HydrophobicContact CG-CB 4.18Å; K612-K632 HydrophobicContact CG-CD 4.39Å; G613-K632 PolarHBondContact N-O 2.88Å; G613-K632 VanDerWaalsContact N-O 3.12Å; K632-K652 HydrophobicContact CG-CB 4.47Å |
| 633 | G | 68.1 | Low | 69.6 | Low | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G613 K652 G653 E654 | G613-G633 WeakPolarHBondContact O-CA 3.41Å; G633-K652 PolarHBondContact N-O 3.31Å; G633-G653 VanDerWaalsContact O-CA 3.32Å; G633-G653 WeakPolarHBondContact O-CA 3.44Å; G633-E654 PolarHBondContact O-N 2.97Å; G633-E654 VanDerWaalsContact O-N 3.07Å |
| 634 | E | 70.4 | Confident | 69.8 | Low | 43 Ų | 43 | 45 Ų | 45 | 20% | 0.201 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 138.5 | -179.2 | -71.9 | 153.7 | -133.9 | 0 | 0 | 109 | K612 G613 E614 G615 N628 | K612-E634 IonicContact NZ-OE1 2.79Å; K612-E634 PolarHBondContact NZ-OE1 3.24Å; K612-E634 IonicContact NZ-OE2 3.95Å; K612-E634 PolarHBondContact NZ-OE2 3.38Å; G613-E634 PolarHBondContact O-N 3.26Å; E614-E634 HydrophobicContact CG-CB 4.26Å; G615-E634 WeakPolarHBondContact CA-O 3.33Å; G615-E634 PolarHBondContact N-O 2.82Å; N628-E634 PolarHBondContact ND2-O 3.45Å |
| 635 | G | 66.3 | Low | 69.8 | Low | 25 Ų | 25 | 44.2 Ų | 44.2 | 26% | 0.258 | 23% | 0.231 | S | C | . | . | trans | -67.5 | 161.4 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E654 | G635-E654 PolarHBondContact N-O 3.18Š| ||
| 636 | A | 70 | Confident | 70.2 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | trans | -82.7 | 160.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A616 A626 A646 A656 Q657 | A616-A636 WeakPolarHBondContact O-CA 3.37Å; A616-A636 WeakPolarHBondContact O-CB 3.48Å; A626-A636 HydrophobicContact CB-CB 4.06Å; A636-A646 HydrophobicContact CB-CB 3.83Å; A636-A656 VanDerWaalsContact O-CA 3.29Å; A636-A656 WeakPolarHBondContact O-CA 3.4Å; A636-A656 VanDerWaalsContact O-CB 3.27Å; A636-A656 WeakPolarHBondContact O-CB 3.18Å; A636-Q657 PolarHBondContact O-N 3.36Å | ||
| 637 | Q | 69 | Low | 70.3 | Confident | 68 Ų | 68 | 46.5 Ų | 46.5 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.2 | 166 | -93.9 | -177.9 | -21.8 | 0 | 0 | 109.9 | A616 Q617 N618 Q657 | A616-Q637 PolarHBondContact O-N 2.92Å; A616-Q637 VanDerWaalsContact O-N 3.14Å; Q617-Q637 HydrophobicContact CG-CB 4.09Å; N618-Q637 PolarHBondContact N-O 2.97Å; Q637-Q657 WeakPolarHBondContact CA-O 3.44Å; Q637-Q657 HydrophobicContact CG-CB 3.89Å |
| 638 | N | 73.6 | Confident | 70.7 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.1 | 175.4 | -54.7 | -76.3 | 0 | 0 | 0 | 111 | N618 E644 Q657 N658 Q659 | N618-N638 WeakPolarHBondContact CB-OD1 3.42Å; N618-N638 PolarHBondContact ND2-OD1 3.24Å; N638-E644 PolarHBondContact ND2-O 2.95Å; N638-Q657 PolarHBondContact N-O 3.25Å; N638-N658 WeakPolarHBondContact CB-OD1 3.35Å; N638-N658 PolarHBondContact ND2-OD1 3.46Å; N638-Q659 PolarHBondContact O-N 3.25Å; N638-Q659 VanDerWaalsContact O-N 3.08Å |
| 639 | Q | 69.8 | Low | 70.7 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.3 | 174.4 | -68.1 | 176.9 | -11 | 0 | 0 | 109.9 | N618 G620 | N618-Q639 PolarHBondContact O-N 2.93Å; G620-Q639 PolarHBondContact N-O 2.91Å; G620-Q639 VanDerWaalsContact N-O 3.13Å |
| 640 | G | 68.2 | Low | 70.8 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | -172 | -178.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | G620 Q659 G660 | G620-G640 WeakPolarHBondContact O-CA 3.46Å; G640-Q659 PolarHBondContact N-O 3.22Å; G640-Q659 VanDerWaalsContact N-O 3.09Å; G640-G660 WeakPolarHBondContact O-CA 3.37Å |
| 641 | K | 74.4 | Confident | 71.4 | Confident | 120 Ų | 120 | 49.7 Ų | 49.7 | 52% | 0.522 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -33.1 | 173.9 | -74.3 | -169.2 | 176.8 | -174.2 | 0 | 111.9 | K621 K661 K662 | K621-K641 WeakPolarHBondContact O-CB 3.41Å; K621-K641 PolarHBondContact O-N 2.94Å; K641-K661 PolarHBondContact O-N 3.17Å; K641-K662 PolarHBondContact O-N 3.17Å; K641-K662 VanDerWaalsContact O-N 3.17Å |
| 642 | K | 71.5 | Confident | 71.4 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.6 | 162.4 | -74.9 | -166.3 | 168.7 | -158.5 | 0 | 109.1 | K621 K622 G623 K662 | K621-K642 PolarHBondContact O-N 3.43Å; K621-K642 VanDerWaalsContact O-N 3.08Å; K622-K642 WeakPolarHBondContact CA-O 3.45Å; K622-K642 HydrophobicContact CG-CB 4.05Å; K622-K642 HydrophobicContact CG-CD 4.45Å; G623-K642 PolarHBondContact N-O 2.73Å; K642-K662 WeakPolarHBondContact CA-O 3.41Å; K642-K662 HydrophobicContact CG-CB 4.33Å |
| 643 | G | 68.6 | Low | 71.3 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | G623 K662 G663 E664 | G623-G643 WeakPolarHBondContact O-CA 3.37Å; G643-K662 PolarHBondContact N-O 2.96Å; G643-K662 VanDerWaalsContact N-O 3.11Å; G643-G663 WeakPolarHBondContact O-CA 3.31Å; G643-E664 PolarHBondContact O-N 3.41Å |
| 644 | E | 71.3 | Confident | 71.6 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 23% | 0.229 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.3 | -179.4 | -68.6 | 155.1 | -131.9 | 0 | 0 | 108.5 | K622 G623 E624 G625 N638 | K622-E644 IonicContact NZ-OE1 3.92Å; K622-E644 PolarHBondContact NZ-OE1 2.9Å; K622-E644 IonicContact NZ-OE2 2.59Å; G623-E644 PolarHBondContact O-N 2.95Å; E624-E644 HydrophobicContact CG-CB 4.43Å; G625-E644 WeakPolarHBondContact CA-O 3.49Å; G625-E644 PolarHBondContact N-O 3.23Å; N638-E644 PolarHBondContact ND2-O 2.95Å |
| 645 | G | 67.9 | Low | 71.5 | Confident | 22 Ų | 22 | 46 Ų | 46 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | trans | -67.4 | 161.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116 | N658 E664 | G645-N658 WeakPolarHBondContact CA-ND2 3.31Å; G645-N658 PolarHBondContact N-ND2 2.73Å; G645-E664 PolarHBondContact N-O 3.17Å | ||
| 646 | A | 72.1 | Confident | 71.7 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | trans | -77.8 | 156.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A626 A636 A656 P666 Q667 | A626-A646 VanDerWaalsContact O-CA 3.31Å; A626-A646 WeakPolarHBondContact O-CA 3.37Å; A626-A646 WeakPolarHBondContact O-CB 3.31Å; A636-A646 HydrophobicContact CB-CB 3.83Å; A646-A656 HydrophobicContact CB-CB 3.81Å; A646-P666 VanDerWaalsContact O-CA 3.25Å; A646-P666 WeakPolarHBondContact O-CA 3.39Å; A646-P666 WeakPolarHBondContact O-CB 3.35Å; A646-Q667 PolarHBondContact O-N 3.43Å | ||
| 647 | Q | 71.7 | Confident | 71.8 | Confident | 71 Ų | 71 | 48 Ų | 48 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 116.6 | 170.2 | -104.2 | 179.1 | -10.2 | 0 | 0 | 110.1 | A626 Q627 N628 Q667 | A626-Q647 PolarHBondContact O-N 2.79Å; Q627-Q647 WeakPolarHBondContact CA-O 3.49Å; Q627-Q647 HydrophobicContact CG-CB 3.88Å; N628-Q647 PolarHBondContact N-O 3.25Å; Q647-Q667 WeakPolarHBondContact CA-O 3.42Å; Q647-Q667 HydrophobicContact CG-CB 4.01Å |
| 648 | N | 75.7 | Confident | 72.1 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.7 | -179.5 | -77.3 | -14.3 | 0 | 0 | 0 | 110.5 | N628 E654 Q667 Q669 | N628-N648 WeakPolarHBondContact CB-OD1 3.37Å; N628-N648 PolarHBondContact ND2-OD1 2.74Å; N648-E654 PolarHBondContact ND2-O 3.13Å; N648-Q667 PolarHBondContact N-O 2.94Å; N648-Q669 PolarHBondContact O-N 3.05Å |
| 649 | Q | 73.2 | Confident | 72 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 119.8 | 179.7 | -75.4 | 177.9 | -22.4 | 0 | 0 | 110.3 | N628 Q629 G630 Q669 | N628-Q649 PolarHBondContact O-N 2.98Å; Q629-Q649 HydrophobicContact CG-CB 4.28Å; G630-Q649 PolarHBondContact N-O 3.2Å; G630-Q649 VanDerWaalsContact N-O 3.1Å; Q649-Q669 WeakPolarHBondContact CA-O 3.4Å; Q649-Q669 HydrophobicContact CG-CB 4.14Å |
| 650 | G | 71.4 | Confident | 72 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.8 | -162.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | G630 Q669 A670 | G630-G650 WeakPolarHBondContact O-CA 3.43Å; G650-Q669 PolarHBondContact N-O 2.94Å; G650-Q669 VanDerWaalsContact N-O 3.1Å; G650-A670 WeakPolarHBondContact O-CA 3.41Å |
| 651 | K | 78.1 | Confident | 72.3 | Confident | 131 Ų | 131 | 50.7 Ų | 50.7 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -39.1 | 172.3 | -74.3 | -165.6 | 177 | -169.9 | 0 | 111.9 | K631 K671 K672 | K631-K651 PolarHBondContact O-N 2.9Å; K651-K671 WeakPolarHBondContact O-CB 3.45Å; K651-K671 PolarHBondContact O-N 3.36Å; K651-K672 PolarHBondContact O-N 3.22Å |
| 652 | K | 76.1 | Confident | 72.2 | Confident | 94 Ų | 94 | 47.4 Ų | 47.4 | 41% | 0.409 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.4 | 163.4 | -78.9 | -165.7 | 166.2 | -149.3 | 0 | 108.9 | K631 K632 G633 K672 | K631-K652 PolarHBondContact O-N 3.37Å; K631-K652 VanDerWaalsContact O-N 3.15Å; K632-K652 HydrophobicContact CG-CB 4.47Å; G633-K652 PolarHBondContact N-O 3.31Å; K652-K672 WeakPolarHBondContact CA-O 3.48Å |
| 653 | G | 70.5 | Confident | 72 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 134.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G633 N668 K672 G673 E674 | G633-G653 VanDerWaalsContact O-CA 3.32Å; G633-G653 WeakPolarHBondContact O-CA 3.44Å; G653-N668 VanDerWaalsContact C-ND2 3.33Å; G653-N668 WeakPolarHBondContact CA-OD1 3.06Å; G653-N668 PolarHBondContact O-ND2 3.11Å; G653-K672 PolarHBondContact N-O 2.79Å; G653-G673 WeakPolarHBondContact O-CA 3.37Å; G653-E674 PolarHBondContact O-N 3.02Å |
| 654 | E | 73.2 | Confident | 72.1 | Confident | 59 Ų | 59 | 46.1 Ų | 46.1 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | trans | -108.8 | 148.7 | 178.6 | -73.8 | 152.3 | -137.7 | 0 | 0 | 109.7 | G633 G635 N648 E674 | G633-E654 PolarHBondContact O-N 2.97Å; G633-E654 VanDerWaalsContact O-N 3.07Å; G635-E654 PolarHBondContact N-O 3.18Å; N648-E654 PolarHBondContact ND2-O 3.13Å; E654-E674 HydrophobicContact CG-CB 4.35Å | ||
| 655 | G | 68.6 | Low | 72 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | trans | -73.7 | 162.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G675 | G655-G675 VanDerWaalsContact CA-O 3.32Å; G655-G675 WeakPolarHBondContact CA-O 3.16Å | ||
| 656 | A | 71.2 | Confident | 72.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | trans | -86.7 | 158.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A636 A646 P666 A676 Q677 | A636-A656 VanDerWaalsContact O-CA 3.29Å; A636-A656 WeakPolarHBondContact O-CA 3.4Å; A636-A656 VanDerWaalsContact O-CB 3.27Å; A636-A656 WeakPolarHBondContact O-CB 3.18Å; A646-A656 HydrophobicContact CB-CB 3.81Å; A656-P666 HydrophobicContact CB-CB 3.71Å; A656-P666 HydrophobicContact CB-CG 3.83Å; A656-A676 WeakPolarHBondContact O-CB 3.41Å; A656-Q677 PolarHBondContact O-N 3.22Å | ||
| 657 | Q | 71.2 | Confident | 72.2 | Confident | 66 Ų | 66 | 46.2 Ų | 46.2 | 31% | 0.308 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.3 | 170.8 | -109.5 | -176.7 | -8.3 | 0 | 0 | 110.7 | A636 Q637 N638 Q677 | A636-Q657 PolarHBondContact O-N 3.36Å; Q637-Q657 WeakPolarHBondContact CA-O 3.44Å; Q637-Q657 HydrophobicContact CG-CB 3.89Å; N638-Q657 PolarHBondContact N-O 3.25Å; Q657-Q677 HydrophobicContact CG-CB 4.03Å |
| 658 | N | 75.7 | Confident | 72.3 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.9 | 179.5 | -79.7 | -2 | 0 | 0 | 0 | 110.9 | N638 G645 E664 Q677 N678 Q679 | N638-N658 WeakPolarHBondContact CB-OD1 3.35Å; N638-N658 PolarHBondContact ND2-OD1 3.46Å; G645-N658 WeakPolarHBondContact CA-ND2 3.31Å; G645-N658 PolarHBondContact N-ND2 2.73Å; N658-E664 PolarHBondContact ND2-O 3.07Å; N658-Q677 PolarHBondContact N-O 2.99Å; N658-N678 WeakPolarHBondContact CB-OD1 3.39Å; N658-N678 WeakPolarHBondContact O-CA 3.39Å; N658-Q679 PolarHBondContact O-N 3.11Å |
| 659 | Q | 71.9 | Confident | 72.4 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.5 | 178 | -67 | 179.4 | -5.8 | 0 | 0 | 110.3 | N638 G640 | N638-Q659 PolarHBondContact O-N 3.25Å; N638-Q659 VanDerWaalsContact O-N 3.08Å; G640-Q659 PolarHBondContact N-O 3.22Å; G640-Q659 VanDerWaalsContact N-O 3.09Å |
| 660 | G | 70 | Confident | 72.4 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | -176.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | G640 Q679 G680 | G640-G660 WeakPolarHBondContact O-CA 3.37Å; G660-Q679 PolarHBondContact N-O 3.33Å; G660-G680 WeakPolarHBondContact O-CA 3.38Å |
| 661 | K | 75.1 | Confident | 72.6 | Confident | 127 Ų | 127 | 48 Ų | 48 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75 | -32.9 | 175.8 | -74.3 | -167.6 | 177.3 | -173.4 | 0 | 112.2 | K641 K681 K682 | K641-K661 PolarHBondContact O-N 3.17Å; K661-K681 WeakPolarHBondContact O-CB 3.31Å; K661-K681 PolarHBondContact O-N 2.69Å; K661-K682 PolarHBondContact O-N 3.05Å; K661-K682 VanDerWaalsContact O-N 3.16Å |
| 662 | K | 71.5 | Confident | 72.5 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 22% | 0.222 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.3 | 168.5 | -152.4 | -171.6 | 176.4 | -66.4 | 0 | 107.2 | K641 K642 G643 E664 K682 E684 | K641-K662 PolarHBondContact O-N 3.17Å; K641-K662 VanDerWaalsContact O-N 3.17Å; K642-K662 WeakPolarHBondContact CA-O 3.41Å; K642-K662 HydrophobicContact CG-CB 4.33Å; G643-K662 PolarHBondContact N-O 2.96Å; G643-K662 VanDerWaalsContact N-O 3.11Å; K662-E664 IonicContact NZ-OE1 3.95Å; K662-E664 PolarHBondContact NZ-OE1 3.44Å; K662-K682 WeakPolarHBondContact CA-O 3.4Å; K662-K682 HydrophobicContact CG-CB 4.08Å; K662-E684 WeakPolarHBondContact CE-OE1 3.5Å; K662-E684 IonicContact NZ-OE1 2.57Å; K662-E684 PolarHBondContact NZ-OE1 3.23Å; K662-E684 IonicContact NZ-OE2 2.71Å; K662-E684 PolarHBondContact NZ-OE2 2.85Å |
| 663 | G | 67.9 | Low | 72.1 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 133.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G643 N678 K682 G683 E684 | G643-G663 WeakPolarHBondContact O-CA 3.31Å; G663-N678 WeakPolarHBondContact CA-OD1 3.22Å; G663-N678 PolarHBondContact O-ND2 3.35Å; G663-K682 PolarHBondContact N-O 3.19Å; G663-G683 WeakPolarHBondContact O-CA 3.36Å; G663-E684 PolarHBondContact O-N 2.97Å |
| 664 | E | 70.9 | Confident | 72.1 | Confident | 62 Ų | 62 | 42.6 Ų | 42.6 | 29% | 0.29 | 21% | 0.214 | S | C | . | . | trans | -110.1 | 136.6 | 176.2 | -75.2 | 151.9 | -135.9 | 0 | 0 | 109 | G643 G645 N658 K662 E684 | G643-E664 PolarHBondContact O-N 3.41Å; G645-E664 PolarHBondContact N-O 3.17Å; N658-E664 PolarHBondContact ND2-O 3.07Å; K662-E664 IonicContact NZ-OE1 3.95Å; K662-E664 PolarHBondContact NZ-OE1 3.44Å; E664-E684 HydrophobicContact CG-CB 3.95Å | ||
| 665 | G | 68.1 | Low | 71.8 | Confident | 19 Ų | 19 | 41 Ų | 41 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | trans | -72.2 | 157.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N678 E684 G685 | G665-N678 PolarHBondContact N-ND2 3.35Å; G665-E684 PolarHBondContact N-O 3.15Å; G665-E684 VanDerWaalsContact N-O 3.14Å; G665-G685 WeakPolarHBondContact CA-O 3.42Å; G665-G685 PolarHBondContact N-O 3.22Å | ||
| 666 | P | 71.7 | Confident | 71.8 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 5% | 0.045 | 20% | 0.204 | C | C | . | . | trans | -74 | 165.6 | 173.4 | 32.5 | -37 | 0 | 0 | 0 | 112.9 | A646 A656 A676 A686 Q687 | A646-P666 VanDerWaalsContact O-CA 3.25Å; A646-P666 WeakPolarHBondContact O-CA 3.39Å; A646-P666 WeakPolarHBondContact O-CB 3.35Å; A656-P666 HydrophobicContact CB-CB 3.71Å; A656-P666 HydrophobicContact CB-CG 3.83Å; P666-A676 HydrophobicContact CG-CB 3.21Å; P666-A686 HydrophobicContact CG-CB 4.38Å; P666-A686 WeakPolarHBondContact O-CA 3.49Å; P666-A686 WeakPolarHBondContact O-CB 3.32Å; P666-Q687 PolarHBondContact O-N 3.03Å | ||
| 667 | Q | 71.5 | Confident | 71.8 | Confident | 49 Ų | 49 | 43.2 Ų | 43.2 | 23% | 0.229 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.3 | 175.9 | -174.2 | -177.7 | 24.5 | 0 | 0 | 110.1 | A646 Q647 N648 Q687 | A646-Q667 PolarHBondContact O-N 3.43Å; Q647-Q667 WeakPolarHBondContact CA-O 3.42Å; Q647-Q667 HydrophobicContact CG-CB 4.01Å; N648-Q667 PolarHBondContact N-O 2.94Å; Q667-Q687 CarbonylContact C-O 3.4Å; Q667-Q687 WeakPolarHBondContact CA-O 3.38Å; Q667-Q687 HydrophobicContact CB-CB 4.39Å; Q667-Q687 HydrophobicContact CG-CB 3.95Å; Q667-Q687 VanDerWaalsContact NE2-OE1 3.1Å |
| 668 | N | 75.6 | Confident | 71.9 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 106.7 | -172.4 | -161.6 | -0.2 | 0 | 0 | 0 | 109.8 | G653 E674 Q687 N688 Q689 | G653-N668 VanDerWaalsContact C-ND2 3.33Å; G653-N668 WeakPolarHBondContact CA-OD1 3.06Å; G653-N668 PolarHBondContact O-ND2 3.11Å; N668-E674 PolarHBondContact ND2-N 3.37Å; N668-E674 PolarHBondContact ND2-O 3.05Å; N668-E674 VanDerWaalsContact ND2-O 3.14Å; N668-Q687 PolarHBondContact N-O 3.12Å; N668-N688 VanDerWaalsContact CB-OD1 3.22Å; N668-N688 WeakPolarHBondContact CB-OD1 3.41Å; N668-Q689 PolarHBondContact O-N 3.03Å |
| 669 | Q | 76.3 | Confident | 71.8 | Confident | 72 Ų | 72 | 43.7 Ų | 43.7 | 34% | 0.336 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 89 | 177.8 | -81.1 | 177 | -23.8 | 0 | 0 | 108.9 | N648 Q649 G650 Q689 | N648-Q669 PolarHBondContact O-N 3.05Å; Q649-Q669 WeakPolarHBondContact CA-O 3.4Å; Q649-Q669 HydrophobicContact CG-CB 4.14Å; G650-Q669 PolarHBondContact N-O 2.94Å; G650-Q669 VanDerWaalsContact N-O 3.1Å; Q669-Q689 HydrophobicContact CG-CB 4.13Å |
| 670 | A | 73.1 | Confident | 71.7 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 5% | 0.05 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 151.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G650 K672 Q689 G690 | G650-A670 WeakPolarHBondContact O-CA 3.41Å; A670-K672 VanDerWaalsContact CB-O 3.31Å; A670-K672 WeakPolarHBondContact CB-O 3.38Å; A670-K672 PolarHBondContact O-N 3Å; A670-Q689 PolarHBondContact N-O 3.29Å; A670-Q689 VanDerWaalsContact N-O 3.07Å; A670-G690 WeakPolarHBondContact O-CA 3.11Å |
| 671 | K | 76.9 | Confident | 71.9 | Confident | 129 Ų | 129 | 45.8 Ų | 45.8 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | -37.9 | 179.4 | -100.5 | 178.6 | 178.4 | 174.7 | 0 | 112.9 | K651 K691 K692 | K651-K671 WeakPolarHBondContact O-CB 3.45Å; K651-K671 PolarHBondContact O-N 3.36Å; K671-K691 PolarHBondContact O-N 3.16Å; K671-K691 VanDerWaalsContact O-N 3.17Å; K671-K692 PolarHBondContact O-N 3.1Å; K671-K692 VanDerWaalsContact O-N 3.12Å |
| 672 | K | 75 | Confident | 71.8 | Confident | 56 Ų | 56 | 44.7 Ų | 44.7 | 24% | 0.243 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.9 | 153.1 | -171 | -170.6 | -164.8 | -75 | 0 | 106.8 | K651 K652 G653 A670 E674 K692 E694 | K651-K672 PolarHBondContact O-N 3.22Å; K652-K672 WeakPolarHBondContact CA-O 3.48Å; G653-K672 PolarHBondContact N-O 2.79Å; A670-K672 VanDerWaalsContact CB-O 3.31Å; A670-K672 WeakPolarHBondContact CB-O 3.38Å; A670-K672 PolarHBondContact O-N 3Å; K672-E674 IonicContact NZ-OE1 2.65Å; K672-E674 PolarHBondContact NZ-OE1 3.11Å; K672-K692 WeakPolarHBondContact CA-O 3.46Å; K672-K692 HydrophobicContact CG-CB 4.19Å; K672-E694 WeakPolarHBondContact CE-OE1 3.11Å; K672-E694 IonicContact NZ-OE1 2.62Å; K672-E694 PolarHBondContact NZ-OE1 3.02Å; K672-E694 IonicContact NZ-OE2 2.61Å; K672-E694 PolarHBondContact NZ-OE2 3.37Å |
| 673 | G | 68.3 | Low | 71.5 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G653 K692 G693 E694 | G653-G673 WeakPolarHBondContact O-CA 3.37Å; G673-K692 PolarHBondContact N-O 3.26Å; G673-K692 VanDerWaalsContact N-O 3.1Å; G673-G693 WeakPolarHBondContact O-CA 3.41Å; G673-E694 PolarHBondContact O-N 3.07Å; G673-E694 VanDerWaalsContact O-N 3.14Å |
| 674 | E | 71.2 | Confident | 71.6 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | trans | -96.3 | 156.5 | 172.2 | -84.5 | 149.4 | -127.8 | 0 | 0 | 111.3 | G653 E654 N668 K672 N688 E694 | G653-E674 PolarHBondContact O-N 3.02Å; E654-E674 HydrophobicContact CG-CB 4.35Å; N668-E674 PolarHBondContact ND2-N 3.37Å; N668-E674 PolarHBondContact ND2-O 3.05Å; N668-E674 VanDerWaalsContact ND2-O 3.14Å; K672-E674 IonicContact NZ-OE1 2.65Å; K672-E674 PolarHBondContact NZ-OE1 3.11Å; E674-N688 PolarHBondContact O-ND2 3.1Å; E674-E694 WeakPolarHBondContact CG-OE2 3.36Å | ||
| 675 | G | 66.6 | Low | 71.3 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 26% | 0.258 | 22% | 0.222 | S | C | . | . | trans | -69.3 | 176.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | G655 G695 | G655-G675 VanDerWaalsContact CA-O 3.32Å; G655-G675 WeakPolarHBondContact CA-O 3.16Å; G675-G695 WeakPolarHBondContact CA-O 3.4Å | ||
| 676 | A | 67.9 | Low | 71.3 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | trans | -131.4 | 162.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A656 P666 A686 A696 Q697 | A656-A676 WeakPolarHBondContact O-CB 3.41Å; P666-A676 HydrophobicContact CG-CB 3.21Å; A676-A686 HydrophobicContact CB-CB 4.27Å; A676-A696 HydrophobicContact CB-CB 4.21Å; A676-A696 WeakPolarHBondContact O-CA 3.36Å; A676-A696 VanDerWaalsContact O-CB 3.3Å; A676-A696 WeakPolarHBondContact O-CB 3.29Å; A676-Q697 PolarHBondContact O-N 3.12Å | ||
| 677 | Q | 70.4 | Confident | 71.1 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.7 | 175.4 | -81.1 | -176.5 | -26.7 | 0 | 0 | 111.2 | A656 Q657 N658 Q697 | A656-Q677 PolarHBondContact O-N 3.22Å; Q657-Q677 HydrophobicContact CG-CB 4.03Å; N658-Q677 PolarHBondContact N-O 2.99Å; Q677-Q697 HydrophobicContact CG-CB 4.23Å |
| 678 | N | 74.8 | Confident | 71.1 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 112.6 | 177 | -158.1 | 3.7 | 0 | 0 | 0 | 109.2 | N658 G663 G665 E684 Q697 N698 Q699 | N658-N678 WeakPolarHBondContact CB-OD1 3.39Å; N658-N678 WeakPolarHBondContact O-CA 3.39Å; G663-N678 WeakPolarHBondContact CA-OD1 3.22Å; G663-N678 PolarHBondContact O-ND2 3.35Å; G665-N678 PolarHBondContact N-ND2 3.35Å; N678-E684 PolarHBondContact ND2-O 3.35Å; N678-Q697 PolarHBondContact N-O 3.23Å; N678-N698 VanDerWaalsContact CB-OD1 3.23Å; N678-N698 WeakPolarHBondContact CB-OD1 3.39Å; N678-Q699 PolarHBondContact O-N 2.95Å; N678-Q699 VanDerWaalsContact O-N 3.12Å |
| 679 | Q | 72.6 | Confident | 70.9 | Confident | 76 Ų | 76 | 45.2 Ų | 45.2 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.9 | -175.2 | -65.8 | -179.3 | -0.1 | 0 | 0 | 110.4 | N658 G660 | N658-Q679 PolarHBondContact O-N 3.11Å; G660-Q679 PolarHBondContact N-O 3.33Å |
| 680 | G | 69.6 | Low | 70.6 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 22% | 0.216 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177 | -177.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | G660 Q699 G700 | G660-G680 WeakPolarHBondContact O-CA 3.38Å; G680-Q699 PolarHBondContact N-O 3.31Å; G680-Q699 VanDerWaalsContact N-O 3.08Å; G680-G700 WeakPolarHBondContact O-CA 3.34Å |
| 681 | K | 75.5 | Confident | 70.7 | Confident | 125 Ų | 125 | 49 Ų | 49 | 54% | 0.543 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | -32 | 175.5 | -74.7 | -167.5 | 177 | -172.9 | 0 | 112.3 | K661 K701 K702 | K661-K681 WeakPolarHBondContact O-CB 3.31Å; K661-K681 PolarHBondContact O-N 2.69Å; K681-K701 WeakPolarHBondContact O-CB 3.45Å; K681-K701 PolarHBondContact O-N 3.02Å; K681-K702 PolarHBondContact O-N 2.87Å |
| 682 | K | 71.9 | Confident | 70.4 | Confident | 105 Ų | 105 | 48.3 Ų | 48.3 | 46% | 0.457 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 121.5 | 162.9 | -69.9 | -167.3 | 172.4 | -167.2 | 0 | 108.3 | K661 K662 G663 K702 | K661-K682 PolarHBondContact O-N 3.05Å; K661-K682 VanDerWaalsContact O-N 3.16Å; K662-K682 WeakPolarHBondContact CA-O 3.4Å; K662-K682 HydrophobicContact CG-CB 4.08Å; G663-K682 PolarHBondContact N-O 3.19Å; K682-K702 WeakPolarHBondContact CA-O 3.33Å; K682-K702 HydrophobicContact CG-CB 4.25Å |
| 683 | G | 65.8 | Low | 69.9 | Low | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G663 K702 A703 E704 | G663-G683 WeakPolarHBondContact O-CA 3.36Å; G683-K702 PolarHBondContact N-O 3.19Å; G683-A703 CarbonylContact O-C 3.57Å; G683-A703 WeakPolarHBondContact O-CA 3.49Å; G683-E704 PolarHBondContact O-N 2.77Å |
| 684 | E | 69.4 | Low | 69.9 | Low | 46 Ų | 46 | 48.3 Ų | 48.3 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | trans | -107.1 | 149.7 | 176.1 | -75.1 | 141.8 | -115.2 | 0 | 0 | 109.4 | K662 G663 E664 G665 N678 N698 E704 | K662-E684 WeakPolarHBondContact CE-OE1 3.5Å; K662-E684 IonicContact NZ-OE1 2.57Å; K662-E684 PolarHBondContact NZ-OE1 3.23Å; K662-E684 IonicContact NZ-OE2 2.71Å; K662-E684 PolarHBondContact NZ-OE2 2.85Å; G663-E684 PolarHBondContact O-N 2.97Å; E664-E684 HydrophobicContact CG-CB 3.95Å; G665-E684 PolarHBondContact N-O 3.15Å; G665-E684 VanDerWaalsContact N-O 3.14Å; N678-E684 PolarHBondContact ND2-O 3.35Å; E684-N698 VanDerWaalsContact C-ND2 3.26Å; E684-N698 PolarHBondContact O-ND2 2.74Å; E684-N698 VanDerWaalsContact O-ND2 3.16Å; E684-E704 HydrophobicContact CG-CB 4.29Å | ||
| 685 | G | 65.1 | Low | 69.6 | Low | 25 Ų | 25 | 46.6 Ų | 46.6 | 26% | 0.258 | 25% | 0.245 | S | C | . | . | trans | -67.1 | 158.2 | -163 | 0 | 0 | 0 | 0 | 0 | 116 | G665 N698 E704 | G665-G685 WeakPolarHBondContact CA-O 3.42Å; G665-G685 PolarHBondContact N-O 3.22Å; G685-N698 WeakPolarHBondContact CA-ND2 3.47Å; G685-N698 PolarHBondContact N-ND2 2.85Å; G685-E704 WeakPolarHBondContact CA-O 3.43Å; G685-E704 PolarHBondContact N-O 3.3Å | ||
| 686 | A | 67.6 | Low | 69.6 | Low | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | trans | -89.2 | 163.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P666 A676 A696 V706 Q707 | P666-A686 HydrophobicContact CG-CB 4.38Å; P666-A686 WeakPolarHBondContact O-CA 3.49Å; P666-A686 WeakPolarHBondContact O-CB 3.32Å; A676-A686 HydrophobicContact CB-CB 4.27Å; A686-A696 HydrophobicContact CB-CB 3.72Å; A686-V706 HydrophobicContact CB-CG1 4.36Å; A686-V706 WeakPolarHBondContact O-CA 3.4Å; A686-V706 WeakPolarHBondContact O-CG1 3.5Å; A686-Q707 PolarHBondContact O-N 3.24Å | ||
| 687 | Q | 68.4 | Low | 69.7 | Low | 64 Ų | 64 | 48 Ų | 48 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 112.6 | 174.6 | -94.8 | -172.7 | -11.6 | 0 | 0 | 111.8 | P666 Q667 N668 Q707 | P666-Q687 PolarHBondContact O-N 3.03Å; Q667-Q687 CarbonylContact C-O 3.4Å; Q667-Q687 WeakPolarHBondContact CA-O 3.38Å; Q667-Q687 HydrophobicContact CB-CB 4.39Å; Q667-Q687 HydrophobicContact CG-CB 3.95Å; Q667-Q687 VanDerWaalsContact NE2-OE1 3.1Å; N668-Q687 PolarHBondContact N-O 3.12Å; Q687-Q707 WeakPolarHBondContact CA-O 3.29Å; Q687-Q707 HydrophobicContact CG-CB 4.05Å |
| 688 | N | 70.6 | Confident | 69.8 | Low | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 113.8 | 175.5 | -84.4 | 8 | 0 | 0 | 0 | 110.9 | N668 E674 E694 Q707 S708 Q709 | N668-N688 VanDerWaalsContact CB-OD1 3.22Å; N668-N688 WeakPolarHBondContact CB-OD1 3.41Å; E674-N688 PolarHBondContact O-ND2 3.1Å; N688-E694 PolarHBondContact ND2-O 3.33Å; N688-Q707 PolarHBondContact N-O 3.35Å; N688-S708 WeakPolarHBondContact O-CA 3.04Å; N688-Q709 PolarHBondContact O-N 3.1Å |
| 689 | Q | 71.6 | Confident | 69.6 | Low | 64 Ų | 64 | 48.3 Ų | 48.3 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.6 | 179.8 | -73 | 179.8 | -16.8 | 0 | 0 | 110.6 | N668 Q669 A670 Q709 | N668-Q689 PolarHBondContact O-N 3.03Å; Q669-Q689 HydrophobicContact CG-CB 4.13Å; A670-Q689 PolarHBondContact N-O 3.29Å; A670-Q689 VanDerWaalsContact N-O 3.07Å; Q689-Q709 HydrophobicContact CG-CB 4.3Å |
| 690 | G | 69.9 | Low | 69.5 | Low | 29 Ų | 29 | 45.5 Ų | 45.5 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | -170.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | A670 Q709 | A670-G690 WeakPolarHBondContact O-CA 3.11Å; G690-Q709 PolarHBondContact N-O 3.46Å |
| 691 | K | 75.5 | Confident | 69.7 | Low | 129 Ų | 129 | 50.9 Ų | 50.9 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -38.6 | 166.9 | -79.2 | -164 | 175.1 | -168.6 | 0 | 111.3 | K671 K711 K712 | K671-K691 PolarHBondContact O-N 3.16Å; K671-K691 VanDerWaalsContact O-N 3.17Å; K691-K711 PolarHBondContact O-N 3.37Å; K691-K712 PolarHBondContact O-N 3.21Å |
| 692 | K | 70.5 | Confident | 69.6 | Low | 114 Ų | 114 | 47.6 Ų | 47.6 | 50% | 0.496 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.9 | 163.6 | -76.2 | -166.3 | 171.5 | -160.4 | 0 | 108.9 | K671 K672 G673 K712 | K671-K692 PolarHBondContact O-N 3.1Å; K671-K692 VanDerWaalsContact O-N 3.12Å; K672-K692 WeakPolarHBondContact CA-O 3.46Å; K672-K692 HydrophobicContact CG-CB 4.19Å; G673-K692 PolarHBondContact N-O 3.26Å; G673-K692 VanDerWaalsContact N-O 3.1Å; K692-K712 WeakPolarHBondContact CA-O 3.3Å |
| 693 | G | 64.9 | Low | 69.3 | Low | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 125.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G673 S710 K712 G713 E714 | G673-G693 WeakPolarHBondContact O-CA 3.41Å; G693-S710 WeakPolarHBondContact CA-OG 3.36Å; G693-S710 PolarHBondContact N-OG 3.34Å; G693-K712 PolarHBondContact N-O 2.92Å; G693-G713 WeakPolarHBondContact O-CA 3.04Å; G693-E714 PolarHBondContact O-N 3.07Å |
| 694 | E | 68.3 | Low | 69.4 | Low | 56 Ų | 56 | 45.4 Ų | 45.4 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -87.8 | 146.4 | 169.1 | -76.2 | 131.4 | -107.9 | 0 | 0 | 110.1 | K672 G673 E674 N688 | K672-E694 WeakPolarHBondContact CE-OE1 3.11Å; K672-E694 IonicContact NZ-OE1 2.62Å; K672-E694 PolarHBondContact NZ-OE1 3.02Å; K672-E694 IonicContact NZ-OE2 2.61Å; K672-E694 PolarHBondContact NZ-OE2 3.37Å; G673-E694 PolarHBondContact O-N 3.07Å; G673-E694 VanDerWaalsContact O-N 3.14Å; E674-E694 WeakPolarHBondContact CG-OE2 3.36Å; N688-E694 PolarHBondContact ND2-O 3.33Å |
| 695 | G | 64.4 | Low | 69 | Low | 18 Ų | 18 | 43.7 Ų | 43.7 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 159.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | G675 E714 G715 | G675-G695 WeakPolarHBondContact CA-O 3.4Å; G695-E714 PolarHBondContact N-O 3.12Å; G695-G715 WeakPolarHBondContact CA-O 3.38Å |
| 696 | A | 67.2 | Low | 68.8 | Low | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -98.2 | 158.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A676 A686 V706 Q717 | A676-A696 HydrophobicContact CB-CB 4.21Å; A676-A696 WeakPolarHBondContact O-CA 3.36Å; A676-A696 VanDerWaalsContact O-CB 3.3Å; A676-A696 WeakPolarHBondContact O-CB 3.29Å; A686-A696 HydrophobicContact CB-CB 3.72Å; A696-V706 HydrophobicContact CB-CG1 3.81Å; A696-V706 HydrophobicContact CB-CG2 3.88Å; A696-Q717 PolarHBondContact O-N 2.97Å |
| 697 | Q | 69.7 | Low | 68.5 | Low | 61 Ų | 61 | 45.9 Ų | 45.9 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.3 | 176.7 | -80.2 | -177.8 | -31.3 | 0 | 0 | 111.4 | A676 Q677 N678 Q717 | A676-Q697 PolarHBondContact O-N 3.12Å; Q677-Q697 HydrophobicContact CG-CB 4.23Å; N678-Q697 PolarHBondContact N-O 3.23Å; Q697-Q717 WeakPolarHBondContact CA-O 3.22Å; Q697-Q717 HydrophobicContact CG-CB 3.97Å |
| 698 | N | 72 | Confident | 68.2 | Low | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.6 | 172.4 | -91.9 | 15.5 | 0 | 0 | 0 | 110.2 | N678 E684 G685 A703 E704 Q717 N718 Q719 | N678-N698 VanDerWaalsContact CB-OD1 3.23Å; N678-N698 WeakPolarHBondContact CB-OD1 3.39Å; E684-N698 VanDerWaalsContact C-ND2 3.26Å; E684-N698 PolarHBondContact O-ND2 2.74Å; E684-N698 VanDerWaalsContact O-ND2 3.16Å; G685-N698 WeakPolarHBondContact CA-ND2 3.47Å; G685-N698 PolarHBondContact N-ND2 2.85Å; N698-A703 HydrophobicContact CB-CB 4.43Å; N698-E704 PolarHBondContact ND2-O 3.46Å; N698-Q717 PolarHBondContact N-O 3.17Å; N698-N718 WeakPolarHBondContact CB-OD1 3.43Å; N698-Q719 PolarHBondContact O-N 3.22Å; N698-Q719 VanDerWaalsContact O-N 3.16Å |
| 699 | Q | 71.6 | Confident | 68 | Low | 71 Ų | 71 | 47.2 Ų | 47.2 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.5 | 179 | -64.5 | -178.1 | 4.1 | 0 | 0 | 110.7 | N678 G680 | N678-Q699 PolarHBondContact O-N 2.95Å; N678-Q699 VanDerWaalsContact O-N 3.12Å; G680-Q699 PolarHBondContact N-O 3.31Å; G680-Q699 VanDerWaalsContact N-O 3.08Å |
| 700 | G | 69.7 | Low | 67.6 | Low | 17 Ų | 17 | 44.5 Ų | 44.5 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | 174.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 118 | G680 Q719 G720 | G680-G700 WeakPolarHBondContact O-CA 3.34Å; G700-Q719 PolarHBondContact N-O 3.08Å; G700-Q719 VanDerWaalsContact N-O 3.08Å; G700-G720 WeakPolarHBondContact O-CA 3.31Å |
| 701 | K | 74.9 | Confident | 67.5 | Low | 134 Ų | 134 | 49.7 Ų | 49.7 | 58% | 0.583 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | -36.5 | 178.5 | -73.4 | -164.6 | 177.1 | -170 | 0 | 112.4 | K681 K721 K722 | K681-K701 WeakPolarHBondContact O-CB 3.45Å; K681-K701 PolarHBondContact O-N 3.02Å; K701-K721 PolarHBondContact O-N 3.06Å; K701-K722 PolarHBondContact O-N 2.84Å |
| 702 | K | 72.4 | Confident | 67.1 | Low | 56 Ų | 56 | 49.3 Ų | 49.3 | 24% | 0.243 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.7 | 155.6 | -162 | -177.1 | -179.6 | -146.1 | 0 | 108.8 | K681 K682 G683 E704 K722 D724 | K681-K702 PolarHBondContact O-N 2.87Å; K682-K702 WeakPolarHBondContact CA-O 3.33Å; K682-K702 HydrophobicContact CG-CB 4.25Å; G683-K702 PolarHBondContact N-O 3.19Å; K702-E704 HydrophobicContact CD-CG 4.45Å; K702-E704 WeakPolarHBondContact CD-OE1 3.04Å; K702-E704 WeakPolarHBondContact CE-OE1 3.3Å; K702-E704 IonicContact NZ-OE1 2.68Å; K702-E704 PolarHBondContact NZ-OE1 3.25Å; K702-E704 IonicContact NZ-OE2 2.68Å; K702-E704 PolarHBondContact NZ-OE2 3.36Å; K702-K722 VanDerWaalsContact CA-O 3.25Å; K702-K722 WeakPolarHBondContact CA-O 3.5Å; K702-K722 HydrophobicContact CG-CB 4.18Å; K702-D724 IonicContact NZ-OD2 2.62Å; K702-D724 PolarHBondContact NZ-OD2 3.18Å |
| 703 | A | 66.7 | Low | 66.6 | Low | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 112.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G683 N698 K722 G723 D724 | G683-A703 CarbonylContact O-C 3.57Å; G683-A703 WeakPolarHBondContact O-CA 3.49Å; N698-A703 HydrophobicContact CB-CB 4.43Å; A703-K722 PolarHBondContact N-O 3.29Å; A703-G723 CarbonylContact O-C 3.57Å; A703-G723 WeakPolarHBondContact O-CA 3.34Å; A703-D724 PolarHBondContact O-N 2.93Å |
| 704 | E | 67.3 | Low | 66.5 | Low | 59 Ų | 59 | 48.6 Ų | 48.6 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -100.5 | 142.5 | -177.9 | -72.1 | 162.5 | -125.6 | 0 | 0 | 110.6 | G683 E684 G685 N698 K702 | G683-E704 PolarHBondContact O-N 2.77Å; E684-E704 HydrophobicContact CG-CB 4.29Å; G685-E704 WeakPolarHBondContact CA-O 3.43Å; G685-E704 PolarHBondContact N-O 3.3Å; N698-E704 PolarHBondContact ND2-O 3.46Å; K702-E704 HydrophobicContact CD-CG 4.45Å; K702-E704 WeakPolarHBondContact CD-OE1 3.04Å; K702-E704 WeakPolarHBondContact CE-OE1 3.3Å; K702-E704 IonicContact NZ-OE1 2.68Å; K702-E704 PolarHBondContact NZ-OE1 3.25Å; K702-E704 IonicContact NZ-OE2 2.68Å; K702-E704 PolarHBondContact NZ-OE2 3.36Å |
| 705 | G | 60.2 | Low | 66 | Low | 10 Ų | 10 | 47.5 Ų | 47.5 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 142.6 | -157.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | D724 N726 | G705-D724 VanDerWaalsContact CA-O 3.32Å; G705-D724 WeakPolarHBondContact CA-O 3.45Å; G705-D724 PolarHBondContact N-O 3.26Å; G705-N726 WeakPolarHBondContact O-CB 3.46Å; G705-N726 PolarHBondContact O-ND2 3.27Å |
| 706 | V | 60.8 | Low | 65.9 | Low | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 142 | 173.6 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | A686 A696 T716 | A686-V706 HydrophobicContact CB-CG1 4.36Å; A686-V706 WeakPolarHBondContact O-CA 3.4Å; A686-V706 WeakPolarHBondContact O-CG1 3.5Å; A696-V706 HydrophobicContact CB-CG1 3.81Å; A696-V706 HydrophobicContact CB-CG2 3.88Å; V706-T716 HydrophobicContact CB-CG2 3.86Å; V706-T716 HydrophobicContact CG1-CG2 3.68Å |
| 707 | Q | 62.3 | Low | 65.8 | Low | 71 Ų | 71 | 51 Ų | 51 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.9 | 171.1 | -75.6 | 179.8 | -16.2 | 0 | 0 | 111.2 | A686 Q687 N688 N726 | A686-Q707 PolarHBondContact O-N 3.24Å; Q687-Q707 WeakPolarHBondContact CA-O 3.29Å; Q687-Q707 HydrophobicContact CG-CB 4.05Å; N688-Q707 PolarHBondContact N-O 3.35Å; Q707-N726 HydrophobicContact CG-CB 4.16Å; Q707-N726 WeakPolarHBondContact CG-ND2 3.29Å; Q707-N726 PolarHBondContact NE2-ND2 3.44Å; Q707-N726 PolarHBondContact NE2-OD1 3.44Å |
| 708 | S | 62.2 | Low | 65.6 | Low | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.5 | 170.8 | -80.2 | 0 | 0 | 0 | 0 | 110 | N688 N728 Q729 | N688-S708 WeakPolarHBondContact O-CA 3.04Å; S708-N728 VanDerWaalsContact CB-OD1 3.29Å; S708-N728 WeakPolarHBondContact CB-OD1 3.39Å; S708-N728 WeakPolarHBondContact O-CA 3.41Å; S708-N728 PolarHBondContact O-OD1 3.46Å; S708-Q729 PolarHBondContact O-N 2.84Å |
| 709 | Q | 66.4 | Low | 65.4 | Low | 93 Ų | 93 | 52.4 Ų | 52.4 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 104.2 | 170 | -90.3 | 179.4 | -20.1 | 0 | 0 | 108.3 | N688 Q689 G690 Q729 | N688-Q709 PolarHBondContact O-N 3.1Å; Q689-Q709 HydrophobicContact CG-CB 4.3Å; G690-Q709 PolarHBondContact N-O 3.46Å; Q709-Q729 HydrophobicContact CG-CB 4.01Å |
| 710 | S | 63.3 | Low | 65.2 | Low | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 141.7 | -174 | -78.5 | 0 | 0 | 0 | 0 | 112.9 | G693 K712 Q729 G730 | G693-S710 WeakPolarHBondContact CA-OG 3.36Å; G693-S710 PolarHBondContact N-OG 3.34Å; S710-K712 VanDerWaalsContact C-N 3.27Å; S710-K712 VanDerWaalsContact CB-O 3.3Å; S710-K712 WeakPolarHBondContact CB-O 3.43Å; S710-K712 PolarHBondContact O-N 3.36Å; S710-Q729 PolarHBondContact N-O 3.21Å; S710-G730 WeakPolarHBondContact O-CA 3.28Å |
| 711 | K | 68 | Low | 65.2 | Low | 138 Ų | 138 | 54.4 Ų | 54.4 | 60% | 0.6 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | -29.5 | 178.6 | -72.8 | -163.8 | 174.5 | -168.8 | 0 | 113 | K691 K731 K732 | K691-K711 PolarHBondContact O-N 3.37Å; K711-K731 PolarHBondContact O-N 3.26Å; K711-K732 PolarHBondContact O-N 3.23Å |
| 712 | K | 66.3 | Low | 64.7 | Low | 122 Ų | 122 | 53.7 Ų | 53.7 | 53% | 0.53 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.3 | 159.4 | -78.2 | -165.8 | 169.6 | -157.2 | 0 | 108.3 | K691 K692 G693 S710 K732 | K691-K712 PolarHBondContact O-N 3.21Å; K692-K712 WeakPolarHBondContact CA-O 3.3Å; G693-K712 PolarHBondContact N-O 2.92Å; S710-K712 VanDerWaalsContact C-N 3.27Å; S710-K712 VanDerWaalsContact CB-O 3.3Å; S710-K712 WeakPolarHBondContact CB-O 3.43Å; S710-K712 PolarHBondContact O-N 3.36Å; K712-K732 WeakPolarHBondContact CA-O 3.45Å |
| 713 | G | 60.7 | Low | 64.1 | Low | 6 Ų | 6 | 51 Ų | 51 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 149.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G693 K732 G733 E734 | G693-G713 WeakPolarHBondContact O-CA 3.04Å; G713-K732 PolarHBondContact N-O 2.88Å; G713-G733 WeakPolarHBondContact O-CA 3.43Å; G713-E734 PolarHBondContact O-N 3.01Å |
| 714 | E | 62.8 | Low | 63.7 | Low | 95 Ų | 95 | 53 Ų | 53 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | trans | -104.3 | 162.4 | -175.6 | -74 | 146 | -131.1 | 0 | 0 | 111 | G693 G695 | G693-E714 PolarHBondContact O-N 3.07Å; G695-E714 PolarHBondContact N-O 3.12Å | ||
| 715 | G | 57.8 | Low | 63.1 | Low | 33 Ų | 33 | 51 Ų | 51 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | trans | -60 | 151.2 | -157.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | G695 G735 | G695-G715 WeakPolarHBondContact CA-O 3.38Å; G715-G735 VanDerWaalsContact CA-O 3.31Å; G715-G735 WeakPolarHBondContact CA-O 3.37Å | ||
| 716 | T | 61.1 | Low | 62.7 | Low | 16 Ų | 16 | 53.4 Ų | 53.4 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | trans | -96.4 | 145.6 | 169.7 | 46.6 | 0 | 0 | 0 | 0 | 111.1 | V706 A736 S737 | V706-T716 HydrophobicContact CB-CG2 3.86Å; V706-T716 HydrophobicContact CG1-CG2 3.68Å; T716-A736 WeakPolarHBondContact O-CA 3.34Å; T716-A736 WeakPolarHBondContact OG1-CB 3.44Å; T716-S737 PolarHBondContact O-N 2.92Å | ||
| 717 | Q | 65.2 | Low | 62.4 | Low | 79 Ų | 79 | 54.1 Ų | 54.1 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119.5 | -178.6 | -101.4 | -174.2 | -8.3 | 0 | 0 | 112.2 | A696 Q697 N698 S737 | A696-Q717 PolarHBondContact O-N 2.97Å; Q697-Q717 WeakPolarHBondContact CA-O 3.22Å; Q697-Q717 HydrophobicContact CG-CB 3.97Å; N698-Q717 PolarHBondContact N-O 3.17Å; Q717-S737 WeakPolarHBondContact CA-O 3.32Å |
| 718 | N | 65.3 | Low | 61.9 | Low | 10 Ų | 10 | 51.6 Ų | 51.6 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.4 | 175.4 | -91.3 | 6.6 | 0 | 0 | 0 | 110.1 | N698 S737 N738 Q739 | N698-N718 WeakPolarHBondContact CB-OD1 3.43Å; N718-S737 PolarHBondContact N-O 3.02Å; N718-N738 WeakPolarHBondContact CB-OD1 3.44Å; N718-Q739 PolarHBondContact O-N 2.92Å |
| 719 | Q | 69.1 | Low | 61.7 | Low | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.7 | 174.3 | -63.4 | -176.3 | 4 | 0 | 0 | 111.4 | N698 G700 Q739 | N698-Q719 PolarHBondContact O-N 3.22Å; N698-Q719 VanDerWaalsContact O-N 3.16Å; G700-Q719 PolarHBondContact N-O 3.08Å; G700-Q719 VanDerWaalsContact N-O 3.08Å; Q719-Q739 HydrophobicContact CG-CB 4.5Å |
| 720 | G | 67.3 | Low | 61.4 | Low | 19 Ų | 19 | 51.5 Ų | 51.5 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | -176.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | G700 Q739 N740 | G700-G720 WeakPolarHBondContact O-CA 3.31Å; G720-Q739 PolarHBondContact N-O 3.03Å; G720-N740 VanDerWaalsContact C-OD1 3.22Å; G720-N740 VanDerWaalsContact CA-OD1 3.25Å; G720-N740 WeakPolarHBondContact CA-OD1 3.46Å; G720-N740 PolarHBondContact N-OD1 3.07Å; G720-N740 PolarHBondContact O-OD1 2.9Å |
| 721 | K | 68.6 | Low | 61.4 | Low | 112 Ų | 112 | 58.1 Ų | 58.1 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -23.1 | 175.5 | -74.2 | -159.2 | 176.6 | -166.5 | 0 | 113.3 | K701 | K701-K721 PolarHBondContact O-N 3.06Å |
| 722 | K | 65.6 | Low | 60.9 | Low | 119 Ų | 119 | 56.8 Ų | 56.8 | 52% | 0.517 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 143.4 | 167.8 | -73.5 | -165.5 | 173.5 | -165.1 | 0 | 107 | K701 K702 A703 K742 | K701-K722 PolarHBondContact O-N 2.84Å; K702-K722 VanDerWaalsContact CA-O 3.25Å; K702-K722 WeakPolarHBondContact CA-O 3.5Å; K702-K722 HydrophobicContact CG-CB 4.18Å; A703-K722 PolarHBondContact N-O 3.29Å; K722-K742 WeakPolarHBondContact CA-O 3.47Å; K722-K742 HydrophobicContact CG-CB 4.41Å |
| 723 | G | 59.6 | Low | 60.4 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | 174.6 | 142.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A703 N740 K742 T743 | A703-G723 CarbonylContact O-C 3.57Å; A703-G723 WeakPolarHBondContact O-CA 3.34Å; G723-N740 WeakPolarHBondContact CA-ND2 3.47Å; G723-N740 PolarHBondContact O-ND2 3.22Å; G723-K742 PolarHBondContact N-O 2.94Å; G723-T743 VanDerWaalsContact O-CA 3.24Å; G723-T743 WeakPolarHBondContact O-CA 3.41Å; G723-T743 WeakPolarHBondContact O-CB 3.4Å; G723-T743 PolarHBondContact O-OG1 3.16Å; G723-T743 VanDerWaalsContact O-OG1 3.09Å | ||
| 724 | D | 58.7 | Low | 60.2 | Low | 42 Ų | 42 | 56.9 Ų | 56.9 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | trans | -112.7 | 131.8 | -160.1 | -48.4 | -48.1 | 0 | 0 | 0 | 109.4 | K702 A703 G705 D744 | K702-D724 IonicContact NZ-OD2 2.62Å; K702-D724 PolarHBondContact NZ-OD2 3.18Å; A703-D724 PolarHBondContact O-N 2.93Å; G705-D724 VanDerWaalsContact CA-O 3.32Å; G705-D724 WeakPolarHBondContact CA-O 3.45Å; G705-D724 PolarHBondContact N-O 3.26Å; D724-D744 CarbonylContact C-O 3.56Å; D724-D744 VanDerWaalsContact CA-O 3.29Å; D724-D744 WeakPolarHBondContact CA-O 3.43Å; D724-D744 WeakPolarHBondContact CB-O 3.49Å; D724-D744 PolarHBondContact OD1-N 2.95Å | ||
| 725 | G | 54.3 | Low | 59.7 | Low | 15 Ų | 15 | 53.7 Ų | 53.7 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -88.4 | 119.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D744 V746 | G725-D744 PolarHBondContact N-O 3.12Å; G725-V746 PolarHBondContact O-N 3.13Å; G725-V746 VanDerWaalsContact O-N 3.08Å |
| 726 | N | 51.4 | Low | 59.7 | Low | 62 Ų | 62 | 52.9 Ų | 52.9 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | trans | -108.1 | 146 | -175.8 | -142.2 | -14.5 | 0 | 0 | 0 | 110.2 | G705 Q707 | G705-N726 WeakPolarHBondContact O-CB 3.46Å; G705-N726 PolarHBondContact O-ND2 3.27Å; Q707-N726 HydrophobicContact CG-CB 4.16Å; Q707-N726 WeakPolarHBondContact CG-ND2 3.29Å; Q707-N726 PolarHBondContact NE2-ND2 3.44Å; Q707-N726 PolarHBondContact NE2-OD1 3.44Å | ||
| 727 | P | 53.7 | Low | 59.5 | Low | 18 Ų | 18 | 53.8 Ų | 53.8 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | trans | -70.4 | 142.9 | -167.5 | -25.3 | 37.2 | 0 | 0 | 0 | 116.4 | Q729 V746 A747 N748 | P727-Q729 HydrophobicContact CB-CG 4.36Å; P727-V746 HydrophobicContact CG-CB 4.42Å; P727-V746 HydrophobicContact CG-CG1 4.13Å; P727-A747 WeakPolarHBondContact CB-O 3.47Å; P727-A747 VanDerWaalsContact CG-O 3.29Å; P727-A747 WeakPolarHBondContact CG-O 3.43Å; P727-N748 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 728 | N | 53.2 | Low | 59.2 | Low | 18 Ų | 18 | 50.6 Ų | 50.6 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.3 | 154.7 | -170.2 | 7.4 | 0 | 0 | 0 | 108.4 | S708 N748 | S708-N728 VanDerWaalsContact CB-OD1 3.29Å; S708-N728 WeakPolarHBondContact CB-OD1 3.39Å; S708-N728 WeakPolarHBondContact O-CA 3.41Å; S708-N728 PolarHBondContact O-OD1 3.46Å; N728-N748 PolarHBondContact N-OD1 3.44Å; N728-N748 PolarHBondContact O-OD1 2.98Å |
| 729 | Q | 58.2 | Low | 59.2 | Low | 71 Ų | 71 | 54.3 Ų | 54.3 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116.2 | -177.2 | -73.9 | -177 | -11.5 | 0 | 0 | 110.9 | S708 Q709 S710 P727 | S708-Q729 PolarHBondContact O-N 2.84Å; Q709-Q729 HydrophobicContact CG-CB 4.01Å; S710-Q729 PolarHBondContact N-O 3.21Å; P727-Q729 HydrophobicContact CB-CG 4.36Å |
| 730 | G | 59.5 | Low | 58.8 | Low | 21 Ų | 21 | 50.6 Ų | 50.6 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 161 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S710 G750 T751 | S710-G730 WeakPolarHBondContact O-CA 3.28Å; G730-G750 WeakPolarHBondContact O-CA 3.39Å; G730-T751 PolarHBondContact O-N 3.39Å |
| 731 | K | 62.5 | Low | 58.7 | Low | 144 Ų | 144 | 57.4 Ų | 57.4 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -77.1 | -25.3 | 177.8 | -78.2 | -152.2 | 170.8 | -160.7 | 0 | 113.3 | K711 K752 | K711-K731 PolarHBondContact O-N 3.26Å; K731-K752 PolarHBondContact O-N 3.45Å |
| 732 | K | 59.1 | Low | 58.3 | Low | 110 Ų | 110 | 57.6 Ų | 57.6 | 48% | 0.478 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 138.4 | 167.7 | -66.9 | -164.7 | 172.6 | -159.9 | 0 | 108.2 | K711 K712 G713 K752 | K711-K732 PolarHBondContact O-N 3.23Å; K712-K732 WeakPolarHBondContact CA-O 3.45Å; G713-K732 PolarHBondContact N-O 2.88Å; K732-K752 WeakPolarHBondContact CA-O 3.43Å; K732-K752 HydrophobicContact CG-CB 4.4Å |
| 733 | G | 54.3 | Low | 57.9 | Low | 18 Ų | 18 | 52 Ų | 52 | 19% | 0.186 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 153.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G713 K752 Q753 E754 | G713-G733 WeakPolarHBondContact O-CA 3.43Å; G733-K752 PolarHBondContact N-O 3.41Å; G733-Q753 WeakPolarHBondContact O-CA 3.4Å; G733-E754 PolarHBondContact O-N 2.71Å |
| 734 | E | 56.8 | Low | 57.7 | Low | 112 Ų | 112 | 57.1 Ų | 57.1 | 52% | 0.523 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 158.4 | -178.7 | -73.1 | 161.3 | -139.7 | 0 | 0 | 111 | G713 | G713-E734 PolarHBondContact O-N 3.01Å |
| 735 | G | 53.1 | Low | 57.2 | Low | 29 Ų | 29 | 56.6 Ų | 56.6 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 140.9 | -160.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | G715 E754 G755 | G715-G735 VanDerWaalsContact CA-O 3.31Å; G715-G735 WeakPolarHBondContact CA-O 3.37Å; G735-E754 PolarHBondContact N-O 3.03Å; G735-G755 WeakPolarHBondContact CA-O 3.45Å |
| 736 | A | 56.3 | Low | 57 | Low | 15 Ų | 15 | 59.2 Ų | 59.2 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 147.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T716 S757 | T716-A736 WeakPolarHBondContact O-CA 3.34Å; T716-A736 WeakPolarHBondContact OG1-CB 3.44Å; A736-S757 PolarHBondContact O-N 2.95Å |
| 737 | S | 58.6 | Low | 56.9 | Low | 35 Ų | 35 | 57.2 Ų | 57.2 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.1 | 173.3 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | T716 Q717 N718 S757 | T716-S737 PolarHBondContact O-N 2.92Å; Q717-S737 WeakPolarHBondContact CA-O 3.32Å; N718-S737 PolarHBondContact N-O 3.02Å; S737-S757 WeakPolarHBondContact CA-O 3.43Å |
| 738 | N | 58.6 | Low | 56.6 | Low | 13 Ų | 13 | 57.9 Ų | 57.9 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 105.1 | -171.5 | -164 | 8.9 | 0 | 0 | 0 | 109.6 | N718 N740 S757 N758 Q759 | N718-N738 WeakPolarHBondContact CB-OD1 3.44Å; N738-N740 PolarHBondContact OD1-ND2 3.5Å; N738-S757 PolarHBondContact N-O 3.03Å; N738-S757 VanDerWaalsContact N-O 3.1Å; N738-N758 WeakPolarHBondContact CB-OD1 3.32Å; N738-N758 WeakPolarHBondContact O-CA 3.16Å; N738-Q759 PolarHBondContact O-N 3.4Å; N738-Q759 VanDerWaalsContact O-N 3.1Å |
| 739 | Q | 65.4 | Low | 56.6 | Low | 88 Ų | 88 | 63.2 Ų | 63.2 | 41% | 0.411 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 89 | 178.3 | -69.1 | -172.4 | -8.6 | 0 | 0 | 109.6 | N718 Q719 G720 | N718-Q739 PolarHBondContact O-N 2.92Å; Q719-Q739 HydrophobicContact CG-CB 4.5Å; G720-Q739 PolarHBondContact N-O 3.03Å |
| 740 | N | 60.1 | Low | 56.3 | Low | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.011 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 125.5 | -174 | -92.7 | -40.4 | 0 | 0 | 0 | 111.8 | G720 G723 N738 K742 Q759 | G720-N740 VanDerWaalsContact C-OD1 3.22Å; G720-N740 VanDerWaalsContact CA-OD1 3.25Å; G720-N740 WeakPolarHBondContact CA-OD1 3.46Å; G720-N740 PolarHBondContact N-OD1 3.07Å; G720-N740 PolarHBondContact O-OD1 2.9Å; G723-N740 WeakPolarHBondContact CA-ND2 3.47Å; G723-N740 PolarHBondContact O-ND2 3.22Å; N738-N740 PolarHBondContact OD1-ND2 3.5Å; N740-K742 PolarHBondContact O-N 3.24Å; N740-Q759 PolarHBondContact N-O 3.4Å |
| 741 | R | 64.3 | Low | 56.2 | Low | 161 Ų | 161 | 64.6 Ų | 64.6 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -67.6 | -22 | -176.8 | -54.1 | -176.3 | -175.5 | -159 | -3.8 | 113.9 | ||
| 742 | K | 61.5 | Low | 55.9 | Low | 116 Ų | 116 | 63.5 Ų | 63.5 | 50% | 0.504 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -145.4 | 136.2 | 168.8 | -62.1 | -168.6 | 175.5 | -162.6 | 0 | 107.5 | K722 G723 N740 | K722-K742 WeakPolarHBondContact CA-O 3.47Å; K722-K742 HydrophobicContact CG-CB 4.41Å; G723-K742 PolarHBondContact N-O 2.94Å; N740-K742 PolarHBondContact O-N 3.24Å |
| 743 | T | 56.3 | Low | 55.5 | Low | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | trans | -152.9 | 133 | -175 | 168.5 | 0 | 0 | 0 | 0 | 110.2 | G723 T745 V760 | G723-T743 VanDerWaalsContact O-CA 3.24Å; G723-T743 WeakPolarHBondContact O-CA 3.41Å; G723-T743 WeakPolarHBondContact O-CB 3.4Å; G723-T743 PolarHBondContact O-OG1 3.16Å; G723-T743 VanDerWaalsContact O-OG1 3.09Å; T743-T745 PolarHBondContact OG1-OG1 3.17Å; T743-V760 HydrophobicContact CG2-CB 4.16Å; T743-V760 HydrophobicContact CG2-CG1 3.57Å; T743-V760 HydrophobicContact CG2-CG2 3.49Å; T743-V760 VanDerWaalsContact CG2-CG2 3.49Å | ||
| 744 | D | 55.9 | Low | 55.5 | Low | 107 Ų | 107 | 66 Ų | 66 | 57% | 0.572 | 34% | 0.341 | S | S | * | . | trans | -97.1 | 125 | 163 | -56.6 | -28.2 | 0 | 0 | 0 | 107.6 | D724 G725 | D724-D744 CarbonylContact C-O 3.56Å; D724-D744 VanDerWaalsContact CA-O 3.29Å; D724-D744 WeakPolarHBondContact CA-O 3.43Å; D724-D744 WeakPolarHBondContact CB-O 3.49Å; D724-D744 PolarHBondContact OD1-N 2.95Å; G725-D744 PolarHBondContact N-O 3.12Å | ||
| 745 | T | 48.6 | Very low | 55.3 | Low | 32 Ų | 32 | 62.8 Ų | 62.8 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -114.9 | 133.3 | -170.5 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | T743 | T743-T745 PolarHBondContact OG1-OG1 3.17Å |
| 746 | V | 49.2 | Very low | 55.2 | Low | 70 Ų | 70 | 64.4 Ų | 64.4 | 42% | 0.424 | 34% | 0.342 | S | S | . | . | trans | -112.2 | 145.3 | 172.1 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | G725 P727 Q779 | G725-V746 PolarHBondContact O-N 3.13Å; G725-V746 VanDerWaalsContact O-N 3.08Å; P727-V746 HydrophobicContact CG-CB 4.42Å; P727-V746 HydrophobicContact CG-CG1 4.13Å; V746-Q779 CarbonylContact C-O 3.49Å | ||
| 747 | A | 48.8 | Very low | 55 | Low | 19 Ų | 19 | 67 Ų | 67 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | trans | -70.4 | 133.3 | -162.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P727 Q779 | P727-A747 WeakPolarHBondContact CB-O 3.47Å; P727-A747 VanDerWaalsContact CG-O 3.29Å; P727-A747 WeakPolarHBondContact CG-O 3.43Å; A747-Q779 PolarHBondContact N-O 3.28Å | ||
| 748 | N | 48.4 | Very low | 54.7 | Low | 33 Ų | 33 | 68.2 Ų | 68.2 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | trans | -65.4 | 146.3 | 162.5 | -76.9 | -42.3 | 0 | 0 | 0 | 110.4 | P727 N728 | P727-N748 WeakPolarHBondContact CA-OD1 3.47Å; N728-N748 PolarHBondContact N-OD1 3.44Å; N728-N748 PolarHBondContact O-OD1 2.98Å | ||
| 749 | Q | 52.2 | Low | 54.7 | Low | 130 Ų | 130 | 73.9 Ų | 73.9 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 107.1 | 172.9 | -67 | -173.3 | 19.6 | 0 | 0 | 109.5 | ||
| 750 | G | 53.5 | Low | 54 | Low | 29 Ų | 29 | 72.1 Ų | 72.1 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 152.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G730 | G730-G750 WeakPolarHBondContact O-CA 3.39Å |
| 751 | T | 57.5 | Low | 53.6 | Low | 91 Ų | 91 | 81 Ų | 81 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -87.9 | -15 | -176 | -23.4 | 0 | 0 | 0 | 0 | 113.6 | G730 | G730-T751 PolarHBondContact O-N 3.39Š|
| 752 | K | 55.6 | Low | 52.7 | Low | 122 Ų | 122 | 81.1 Ų | 81.1 | 53% | 0.53 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -151 | 133.1 | 161.4 | -76.2 | -157.5 | 169.5 | -149.4 | 0 | 107.1 | K731 K732 G733 | K731-K752 PolarHBondContact O-N 3.45Å; K732-K752 WeakPolarHBondContact CA-O 3.43Å; K732-K752 HydrophobicContact CG-CB 4.4Å; G733-K752 PolarHBondContact N-O 3.41Å |
| 753 | Q | 51 | Low | 52 | Low | 55 Ų | 55 | 79 Ų | 79 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 131.1 | 178.4 | -178 | 167.2 | -1.3 | 0 | 0 | 108.9 | G733 | G733-Q753 WeakPolarHBondContact O-CA 3.4Å |
| 754 | E | 54.1 | Low | 51.4 | Low | 124 Ų | 124 | 86.9 Ų | 86.9 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 111.6 | -175.6 | -74.6 | 161.7 | -140.9 | 0 | 0 | 109.1 | G733 G735 | G733-E754 PolarHBondContact O-N 2.71Å; G735-E754 PolarHBondContact N-O 3.03Å |
| 755 | G | 52.8 | Low | 50.8 | Low | 46 Ų | 46 | 83.1 Ų | 83.1 | 47% | 0.474 | 45% | 0.452 | S | S | . | . | trans | 75.6 | 144.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G735 | G735-G755 WeakPolarHBondContact CA-O 3.45Š| ||
| 756 | V | 50 | Low | 50.2 | Low | 62 Ų | 62 | 83.3 Ų | 83.3 | 38% | 0.376 | 45% | 0.454 | S | S | . | . | trans | -146.7 | 128 | 160.7 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | N758 | V756-N758 WeakPolarHBondContact CG1-ND2 3.33Š| ||
| 757 | S | 52.5 | Low | 49.7 | Very low | 70 Ų | 70 | 85 Ų | 85 | 49% | 0.49 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 95 | -179.8 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | A736 S737 N738 | A736-S757 PolarHBondContact O-N 2.95Å; S737-S757 WeakPolarHBondContact CA-O 3.43Å; N738-S757 PolarHBondContact N-O 3.03Å; N738-S757 VanDerWaalsContact N-O 3.1Å |
| 758 | N | 53.2 | Low | 49.2 | Very low | 60 Ų | 60 | 88 Ų | 88 | 32% | 0.321 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 111.5 | -179.9 | -67.4 | -26.7 | 0 | 0 | 0 | 109.6 | N738 V756 V760 | N738-N758 WeakPolarHBondContact CB-OD1 3.32Å; N738-N758 WeakPolarHBondContact O-CA 3.16Å; V756-N758 WeakPolarHBondContact CG1-ND2 3.33Å; N758-V760 HydrophobicContact CB-CG2 4.2Å |
| 759 | Q | 57.1 | Low | 48.8 | Very low | 132 Ų | 132 | 95.2 Ų | 95.2 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 113.2 | 169.1 | -74.4 | -166.1 | 6.3 | 0 | 0 | 109.9 | N738 N740 | N738-Q759 PolarHBondContact O-N 3.4Å; N738-Q759 VanDerWaalsContact O-N 3.1Å; N740-Q759 PolarHBondContact N-O 3.4Å |
| 760 | V | 51.2 | Low | 48.4 | Very low | 52 Ų | 52 | 91 Ų | 91 | 32% | 0.315 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.5 | -170.7 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | T743 N758 K762 | T743-V760 HydrophobicContact CG2-CB 4.16Å; T743-V760 HydrophobicContact CG2-CG1 3.57Å; T743-V760 HydrophobicContact CG2-CG2 3.49Å; T743-V760 VanDerWaalsContact CG2-CG2 3.49Å; N758-V760 HydrophobicContact CB-CG2 4.2Å; V760-K762 WeakPolarHBondContact CG1-O 3.47Å |
| 761 | K | 51.1 | Low | 47.8 | Very low | 189 Ų | 189 | 99.2 Ų | 99.2 | 82% | 0.822 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -123.4 | 14.2 | 177.3 | -73.7 | -160.1 | 171.9 | -168.3 | 0 | 115.3 | ||
| 762 | K | 47.2 | Very low | 47 | Very low | 162 Ų | 162 | 104.8 Ų | 104.8 | 70% | 0.704 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -176.7 | 140 | 154.8 | -106.2 | 174.1 | -176.8 | -169.8 | 0 | 109.1 | V760 | V760-K762 WeakPolarHBondContact CG1-O 3.47Š|
| 763 | S | 46.4 | Very low | 46 | Very low | 73 Ų | 73 | 102.3 Ų | 102.3 | 51% | 0.51 | 55% | 0.551 | S | S | . | * | trans | -156 | 148.1 | -172.1 | 49.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 764 | E | 44.1 | Very low | 45.3 | Very low | 167 Ų | 167 | 108.6 Ų | 108.6 | 78% | 0.78 | 58% | 0.58 | S | S | * | * | trans | -122.8 | 150.8 | 162.3 | -67.4 | -178.6 | -171.5 | 0 | 0 | 109.5 | ||||
| 765 | G | 42.5 | Very low | 44.4 | Very low | 28 Ų | 28 | 106.2 Ų | 106.2 | 29% | 0.289 | 59% | 0.589 | S | S | . | * | trans | 178.6 | -172.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 766 | S | 36.1 | Very low | 43.3 | Very low | 36 Ų | 36 | 108.1 Ų | 108.1 | 25% | 0.252 | 60% | 0.6 | S | S | . | * | trans | -145.5 | 171.4 | 176.8 | -53.8 | 0 | 0 | 0 | 0 | 112.7 | Q779 G780 K781 | S766-Q779 VanDerWaalsContact N-CG 3.32Å; S766-Q779 CarbonylContact O-C 3.5Å; S766-Q779 VanDerWaalsContact O-C 3.3Å; S766-Q779 WeakPolarHBondContact O-CA 3.47Å; S766-Q779 WeakPolarHBondContact O-CB 3.45Å; S766-Q779 WeakPolarHBondContact O-CG 3.31Å; S766-G780 CarbonylContact C-O 3.54Å; S766-G780 VanDerWaalsContact CB-O 3.32Å; S766-G780 WeakPolarHBondContact CB-O 3.07Å; S766-G780 PolarHBondContact O-N 3Å; S766-K781 WeakPolarHBondContact OG-CE 3.5Å | ||
| 767 | P | 38.6 | Very low | 42.5 | Very low | 105 Ų | 105 | 109.9 Ų | 109.9 | 68% | 0.682 | 61% | 0.613 | S | S | * | * | trans | -65.7 | 158.7 | -160.1 | -27 | 36.8 | 0 | 0 | 0 | 118.2 | ||||
| 768 | N | 38.5 | Very low | 41.2 | Very low | 83 Ų | 83 | 110.5 Ų | 110.5 | 44% | 0.444 | 61% | 0.61 | S | S | . | * | trans | -96.3 | 147.1 | 176.5 | -170.6 | 17 | 0 | 0 | 0 | 111.4 | ||||
| 769 | Q | 38.9 | Very low | 40 | Very low | 183 Ų | 183 | 109.7 Ų | 109.7 | 86% | 0.855 | 61% | 0.605 | S | S | * | * | trans | -127.5 | 89.7 | 178 | -74.4 | -165.6 | -2.8 | 0 | 0 | 112.3 | ||||
| 770 | G | 45 | Very low | 38.7 | Very low | 43 Ų | 43 | 103.8 Ų | 103.8 | 44% | 0.443 | 58% | 0.579 | S | S | . | * | trans | -114.2 | 123.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K772 | G770-K772 PolarHBondContact O-N 3.45Š| ||
| 771 | K | 41.4 | Very low | 37.6 | Very low | 200 Ų | 200 | 108.1 Ų | 108.1 | 87% | 0.87 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -77.9 | 113.6 | 170.4 | -75.8 | -168.1 | 175 | -172.8 | 0 | 109.4 | ||
| 772 | K | 39.1 | Very low | 36.4 | Very low | 208 Ų | 208 | 108 Ų | 108 | 90% | 0.904 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 62.2 | 77.6 | -175.8 | -160.3 | 168.8 | -172 | 171.2 | 0 | 113.2 | G770 | G770-K772 PolarHBondContact O-N 3.45Š|
| 773 | A | 34.2 | Very low | 35.5 | Very low | 70 Ų | 70 | 108.4 Ų | 108.4 | 58% | 0.579 | 60% | 0.595 | S | S | * | * | trans | -107.4 | 136.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 774 | E | 37.9 | Very low | 34.4 | Very low | 188 Ų | 188 | 111.3 Ų | 111.3 | 88% | 0.879 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -98.9 | 122.2 | 158 | -73.8 | 172.3 | 106.3 | 0 | 0 | 107.2 | ||
| 775 | G | 34.4 | Very low | 33.6 | Very low | 74 Ų | 74 | 106.7 Ų | 106.7 | 76% | 0.763 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 105.9 | 135.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 776 | A | 30.3 | Very low | 32.8 | Very low | 86 Ų | 86 | 111.1 Ų | 111.1 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | trans | -117 | 178.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 777 | P | 32 | Very low | 32.8 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | cis | -130.4 | 161.6 | -7.9 | 38.7 | -23.4 | 0 | 0 | 0 | 114.6 | ||||
| 778 | N | 26.2 | Very low | 32.1 | Very low | 83 Ų | 83 | 114.9 Ų | 114.9 | 44% | 0.444 | 66% | 0.655 | S | S | . | * | trans | 53.4 | 133.5 | 144.1 | -84 | -17.8 | 0 | 0 | 0 | 121 | ||||
| 779 | Q | 28.6 | Very low | 31.4 | Very low | 43 Ų | 43 | 119.2 Ų | 119.2 | 20% | 0.201 | 67% | 0.673 | C | S | . | * | cis | -163.2 | 174.4 | 23.4 | -93.2 | 142.2 | -2.5 | 0 | 0 | 113.1 | V746 A747 S766 | V746-Q779 CarbonylContact C-O 3.49Å; A747-Q779 PolarHBondContact N-O 3.28Å; S766-Q779 VanDerWaalsContact N-CG 3.32Å; S766-Q779 CarbonylContact O-C 3.5Å; S766-Q779 VanDerWaalsContact O-C 3.3Å; S766-Q779 WeakPolarHBondContact O-CA 3.47Å; S766-Q779 WeakPolarHBondContact O-CB 3.45Å; S766-Q779 WeakPolarHBondContact O-CG 3.31Å | ||
| 780 | G | 28.8 | Very low | 31 | Very low | 8 Ų | 8 | 115.2 Ų | 115.2 | 8% | 0.082 | 67% | 0.671 | C | S | . | * | trans | -177.8 | -176 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | S766 | S766-G780 CarbonylContact C-O 3.54Å; S766-G780 VanDerWaalsContact CB-O 3.32Å; S766-G780 WeakPolarHBondContact CB-O 3.07Å; S766-G780 PolarHBondContact O-N 3Å | ||
| 781 | K | 27.4 | Very low | 30.1 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | trans | -159.7 | 169.2 | -174.4 | -90.2 | 151.5 | 166.7 | 161.2 | 0 | 110.2 | S766 | S766-K781 WeakPolarHBondContact OG-CE 3.5Š| ||
| 782 | K | 27.8 | Very low | 29.4 | Very low | 186 Ų | 186 | 122.3 Ų | 122.3 | 81% | 0.809 | 69% | 0.69 | S | S | * | * | cis | -173.6 | 146.6 | -43 | -163.2 | -178.1 | -176.5 | -178.3 | 0 | 109 | ||||
| 783 | K | 26.4 | Very low | 28.8 | Very low | 171 Ų | 171 | 117.4 Ų | 117.4 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | trans | 66.1 | 167 | 175.8 | -72.2 | -166.5 | 161.9 | -88.5 | 0 | 117 | ||||
| 784 | D | 24.8 | Very low | 28.4 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | cis | -169 | 173.1 | -33 | -91.8 | -5.6 | 0 | 0 | 0 | 110.2 | ||||
| 785 | G | 26.6 | Very low | 27.9 | Very low | 71 Ų | 71 | 117.1 Ų | 117.1 | 73% | 0.732 | 69% | 0.685 | S | S | * | * | trans | 137 | 149.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 786 | S | 26.3 | Very low | 27.5 | Very low | 120 Ų | 120 | 118.7 Ų | 118.7 | 84% | 0.839 | 69% | 0.691 | S | S | * | * | trans | -154.9 | -154.4 | 178.9 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 787 | P | 34.7 | Very low | 27.3 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | -121.8 | -152.6 | -86.9 | 40.3 | -24.8 | 0 | 0 | 0 | 114.3 | |||||
| 788 | S | 24.1 | Very low | 27 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | 85.7 | 157.8 | 159.4 | -64.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 789 | Q | 25.6 | Very low | 27 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | cis | -177.6 | 135.4 | -26.3 | 176.2 | 179.5 | 70.3 | 0 | 0 | 110.8 | ||||
| 790 | A | 30.1 | Very low | 27 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 162.8 | 138.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 791 | K | 25.1 | Very low | 27.2 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | cis | 112.6 | 82.5 | -6.2 | -158.7 | -175.5 | -178.7 | -175.9 | 0 | 118.2 | ||||
| 792 | K | 27.4 | Very low | 27.1 | Very low | 205 Ų | 205 | 139.2 Ų | 139.2 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -172.3 | 131.5 | 142.9 | -105.3 | -177.5 | 177.2 | -173.1 | 0 | 107.9 | ||||
| 793 | V | 26.8 | Very low | 27 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 63% | 0.63 | 79% | 0.794 | S | S | * | * | cis | 110.3 | 110.3 | 10.3 | 179.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 794 | D | 25.4 | Very low | 27.1 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 50.8 | 131.9 | 153.4 | -50.8 | -17.4 | 0 | 0 | 0 | 124.1 | ||||
| 795 | A | 27.4 | Very low | 27 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | -165.6 | 132.5 | 124.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 796 | A | 26.8 | Very low | 27.2 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | trans | 38.9 | 136 | 150 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 797 | A | 25.4 | Very low | 27.4 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -90.4 | 168.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 798 | N | 24.9 | Very low | 27.1 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -147.9 | 149.9 | 134.7 | -154.2 | -12.3 | 0 | 0 | 0 | 110.9 | ||||
| 799 | Q | 27.5 | Very low | 27.3 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 74% | 0.743 | 83% | 0.828 | S | S | * | * | trans | -124 | 124 | 174.8 | -69.7 | -171.4 | 22.4 | 0 | 0 | 110.5 | ||||
| 800 | G | 28.5 | Very low | 27.5 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -115.3 | 130.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 801 | K | 32.6 | Very low | 27.5 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -111.9 | 152 | 179.7 | -75.2 | -178.8 | 179.7 | 174.1 | 0 | 111.9 | ||||
| 802 | K | 24.1 | Very low | 27.6 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 90% | 0.896 | 84% | 0.84 | S | S | * | * | trans | -52.1 | 147.9 | 168.2 | -64.1 | 172.9 | 167.1 | -174.2 | 0 | 112.6 | ||||
| 803 | S | 26.6 | Very low | 27.5 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 70% | 0.699 | 84% | 0.839 | S | S | * | * | -173.8 | 118.1 | 120.6 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 804 | E | 28.5 | Very low | 27.5 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 91% | 0.911 | 85% | 0.851 | S | S | * | * | trans | 64.6 | 172 | 138.2 | -71.7 | 171.8 | 129.8 | 0 | 0 | 123.1 | ||||
| 805 | M | 23.5 | Very low | 27.5 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 92% | 0.916 | 85% | 0.849 | S | S | * | * | trans | -149.9 | 168.4 | -163.1 | -74.6 | 158.4 | 45.9 | 0 | 0 | 109.2 | ||||
| 806 | A | 30.1 | Very low | 27.6 | Very low | 100 Ų | 100 | 144 Ų | 144 | 83% | 0.826 | 85% | 0.851 | S | S | * | * | trans | 114.2 | 148.5 | 166 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 807 | P | 30.6 | Very low | 27.6 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 81% | 0.812 | 85% | 0.845 | S | S | * | * | trans | -103.5 | 161 | -158.1 | 39.4 | -34.8 | 0 | 0 | 0 | 114.8 | ||||
| 808 | A | 27.7 | Very low | 27.6 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 88% | 0.876 | 85% | 0.848 | S | S | * | * | trans | -84.1 | 132.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 809 | Q | 28.4 | Very low | 27.5 | Very low | 189 Ų | 189 | 149.6 Ų | 149.6 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | trans | -104 | 130.5 | 160.2 | -70 | -174.2 | -73.9 | 0 | 0 | 109.3 | ||||
| 810 | G | 30.4 | Very low | 27.5 | Very low | 87 Ų | 87 | 151.5 Ų | 151.5 | 90% | 0.897 | 86% | 0.86 | S | S | * | * | trans | -82.6 | 114.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 811 | Q | 29.3 | Very low | 27.5 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 87% | 0.869 | 85% | 0.853 | S | S | * | * | trans | -94.6 | 130.6 | 166 | -69 | -177.7 | -39.2 | 0 | 0 | 110.3 | ||||
| 812 | K | 26.9 | Very low | 27.3 | Very low | 219 Ų | 219 | 148.9 Ų | 148.9 | 95% | 0.952 | 85% | 0.854 | S | S | * | * | trans | -140.8 | 139.3 | 152.7 | -80.2 | -163.6 | 174.7 | -175.2 | 0 | 108.8 | ||||
| 813 | A | 25.8 | Very low | 27.4 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | trans | -132.9 | 145.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 814 | S | 26.8 | Very low | 27.4 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 88% | 0.881 | 86% | 0.863 | S | S | * | * | trans | -157.9 | 124.2 | 161.5 | 55.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 815 | M | 26.9 | Very low | 27.5 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 79% | 0.788 | 86% | 0.862 | S | S | * | * | trans | -126.5 | 119.3 | -178.7 | 164.9 | -173.5 | 163.2 | 0 | 0 | 107.8 | ||||
| 816 | V | 28.5 | Very low | 27.6 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 86% | 0.861 | 86% | 0.856 | S | S | * | * | trans | -142.2 | 133.1 | 165.6 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 817 | Q | 26.4 | Very low | 27.7 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 75% | 0.748 | 86% | 0.856 | S | S | * | * | trans | -95.4 | 148.1 | 173 | -62.3 | 162.7 | -81.8 | 0 | 0 | 109.4 | ||||
| 818 | S | 25.3 | Very low | 27.4 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 88% | 0.881 | 85% | 0.854 | S | S | * | * | trans | -154.7 | 137.8 | 152.3 | -78.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 819 | Q | 24.2 | Very low | 27.5 | Very low | 198 Ų | 198 | 151.8 Ų | 151.8 | 93% | 0.925 | 85% | 0.854 | S | S | * | * | trans | -144.7 | 116.2 | -175 | 177.9 | -176.9 | 7.2 | 0 | 0 | 106.5 | ||||
| 820 | E | 26 | Very low | 27.2 | Very low | 199 Ų | 199 | 152.1 Ų | 152.1 | 93% | 0.93 | 85% | 0.852 | S | S | * | * | trans | -131.9 | 148.6 | -177.6 | -165.4 | 162 | -167.8 | 0 | 0 | 110.4 | ||||
| 821 | A | 28.7 | Very low | 27.1 | Very low | 84 Ų | 84 | 158.3 Ų | 158.3 | 69% | 0.694 | 85% | 0.854 | S | S | * | * | trans | -120.5 | 153.4 | -162.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 822 | P | 29.3 | Very low | 26.8 | Very low | 129 Ų | 129 | 155.2 Ų | 155.2 | 84% | 0.838 | 85% | 0.853 | S | S | * | * | trans | -78.4 | 153 | -165.5 | 31.4 | -36.5 | 0 | 0 | 0 | 113.6 | ||||
| 823 | K | 26.6 | Very low | 26.7 | Very low | 205 Ų | 205 | 148.2 Ų | 148.2 | 89% | 0.891 | 84% | 0.844 | S | S | * | * | trans | -109.2 | 142.1 | 165.9 | -84.4 | -179.2 | 177.7 | 171.9 | 0 | 112.3 | ||||
| 824 | Q | 26.5 | Very low | 26.7 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | trans | -55.1 | 152.2 | 170.4 | -56.7 | 158.1 | -65.7 | 0 | 0 | 112.4 | ||||
| 825 | D | 29 | Very low | 26.6 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | trans | -140.9 | 127.8 | 152.2 | -132.5 | -35.4 | 0 | 0 | 0 | 109.2 | ||||
| 826 | A | 25.7 | Very low | 26.8 | Very low | 95 Ų | 95 | 156.1 Ų | 156.1 | 79% | 0.785 | 85% | 0.847 | S | S | * | * | trans | -166.4 | 112.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 827 | P | 32.8 | Very low | 26.6 | Very low | 129 Ų | 129 | 158 Ų | 158 | 84% | 0.838 | 84% | 0.843 | S | S | * | * | trans | -117.2 | 145.1 | 163.9 | 34.8 | -23.9 | 0 | 0 | 0 | 112.8 | ||||
| 828 | A | 24.5 | Very low | 27 | Very low | 91 Ų | 91 | 153.9 Ų | 153.9 | 75% | 0.752 | 84% | 0.844 | S | S | * | * | trans | -125.9 | 147.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 829 | K | 29 | Very low | 27.3 | Very low | 203 Ų | 203 | 155 Ų | 155 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | 179.8 | 123.9 | 153 | -91.6 | 138 | -168.6 | 175.3 | 0 | 107.9 | ||||
| 830 | K | 23.3 | Very low | 28 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | 58.5 | 102.2 | 69 | -73.6 | -168.3 | 176 | -177.2 | 0 | 115.2 | |||||
| 831 | K | 27.5 | Very low | 28.1 | Very low | 216 Ų | 216 | 145.5 Ų | 145.5 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | -177 | 178.1 | 117.8 | -103 | -178.2 | 178.3 | -174 | 0 | 112.9 | |||||
| 832 | S | 23.4 | Very low | 28.6 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -132.5 | 159.6 | -161.6 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 833 | G | 24.9 | Very low | 29.5 | Very low | 73 Ų | 73 | 146.8 Ų | 146.8 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | 117.4 | 115.3 | 137.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 834 | S | 24.5 | Very low | 29.9 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | 59.8 | 131.5 | 138.2 | -168.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 835 | R | 26.1 | Very low | 30.1 | Very low | 237 Ų | 237 | 141.7 Ų | 141.7 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | 174 | 170.6 | 121.7 | -98.3 | 177.1 | 174.6 | -149.3 | -2.1 | 115.7 | |||||
| 836 | K | 31.4 | Very low | 30.4 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | 76.3 | 120.7 | -178 | -58 | -176.5 | 176.6 | -176.2 | 0 | 113.7 | ||||
| 837 | K | 24.3 | Very low | 30.9 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | cis | 69.4 | 125.7 | 10.6 | -139.9 | -153.1 | -172.5 | -150 | 0 | 118 | E839 | K837-E839 WeakPolarHBondContact CE-OE2 3.38Å; K837-E839 IonicContact NZ-OE2 2.7Å; K837-E839 PolarHBondContact NZ-OE2 3.01Å | ||
| 838 | G | 33.4 | Very low | 31.6 | Very low | 75 Ų | 75 | 140 Ų | 140 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -163.6 | 150.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 839 | E | 32.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | -164.2 | 135.2 | -162.1 | -179.6 | -174.2 | 157.3 | 0 | 0 | 113.2 | K837 | K837-E839 WeakPolarHBondContact CE-OE2 3.38Å; K837-E839 IonicContact NZ-OE2 2.7Å; K837-E839 PolarHBondContact NZ-OE2 3.01Å | ||
| 840 | P | 38.3 | Very low | 33.2 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -137.8 | 177.4 | 147.7 | 38.9 | -24.8 | 0 | 0 | 0 | 112.1 | ||||
| 841 | G | 28.5 | Very low | 34.5 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | cis | 173 | 147.6 | -6.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 842 | P | 40 | Very low | 36.3 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -113.9 | -167.7 | -178.2 | 42.4 | -32.6 | 0 | 0 | 0 | 113.2 | ||||
| 843 | P | 46.6 | Very low | 38.3 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | -124.5 | -173.9 | -54.9 | 38.7 | -23.8 | 0 | 0 | 0 | 111.3 | |||||
| 844 | D | 35.4 | Very low | 40.9 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -160.1 | 143.6 | 152.5 | -118.2 | -27 | 0 | 0 | 0 | 113.1 | ||||
| 845 | C | 30.1 | Very low | 43.1 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -158.3 | 131.6 | 176.7 | -88.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 846 | D | 35.8 | Very low | 45.2 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 94% | 0.941 | 73% | 0.73 | S | S | * | * | trans | -148 | 148.4 | 165.7 | -134.7 | -24.7 | 0 | 0 | 0 | 110.9 | ||||
| 847 | G | 36.4 | Very low | 47.3 | Very low | 44 Ų | 44 | 124.5 Ų | 124.5 | 45% | 0.454 | 71% | 0.71 | S | S | . | * | trans | -159.9 | 161.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L849 | G847-L849 PolarHBondContact O-N 2.96Š| ||
| 848 | P | 47.2 | Very low | 49.8 | Very low | 136 Ų | 136 | 119.5 Ų | 119.5 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | trans | -79.7 | 106.3 | -166.6 | -8.2 | 26.1 | 0 | 0 | 0 | 111.7 | F850 | P848-F850 PolarHBondContact O-N 3.17Š| ||
| 849 | L | 37.3 | Very low | 51.9 | Low | 162 Ų | 162 | 118 Ų | 118 | 85% | 0.848 | 67% | 0.674 | S | S | * | * | trans | -82.6 | 102.9 | -176.7 | -73.9 | 174.3 | 0 | 0 | 0 | 112.9 | G847 | G847-L849 PolarHBondContact O-N 2.96Š| ||
| 850 | F | 51.2 | Low | 53.8 | Low | 205 Ų | 205 | 114.6 Ų | 114.6 | 90% | 0.899 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 125.6 | 167.7 | -132.3 | -100.1 | 0 | 0 | 0 | 110.4 | P848 | P848-F850 PolarHBondContact O-N 3.17Š|
| 851 | L | 49.2 | Very low | 55.5 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 53% | 0.529 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -93.7 | 125.5 | 177.4 | -64.7 | 178 | 0 | 0 | 0 | 110.9 | T855 | L851-T855 HydrophobicContact CB-CG2 4.47Å; L851-T855 HydrophobicContact CD2-CG2 4.21Å |
| 852 | P | 66.5 | Low | 57.7 | Low | 83 Ų | 83 | 112.7 Ų | 112.7 | 54% | 0.539 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 153.3 | 177.1 | -25.9 | 34.9 | 0 | 0 | 0 | 113.4 | K854 T855 L856 | P852-K854 VanDerWaalsContact C-N 3.3Å; P852-K854 PolarHBondContact O-N 3.32Å; P852-T855 CarbonylContact O-C 3.41Å; P852-T855 VanDerWaalsContact O-CA 3.26Å; P852-T855 WeakPolarHBondContact O-CA 3.33Å; P852-T855 VanDerWaalsContact O-CB 3.23Å; P852-T855 WeakPolarHBondContact O-CB 3.37Å; P852-T855 PolarHBondContact O-N 2.97Å; P852-L856 PolarHBondContact O-N 3.45Å |
| 853 | Y | 64.9 | Low | 59.4 | Low | 180 Ų | 180 | 112.2 Ų | 112.2 | 71% | 0.706 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -54.7 | -39.8 | -178.6 | 177.6 | -98.2 | 0 | 0 | 0 | 114.2 | T855 L856 V857 | Y853-T855 VanDerWaalsContact C-N 3.27Å; Y853-T855 PolarHBondContact O-N 3.49Å; Y853-L856 PolarHBondContact O-N 3.11Å; Y853-V857 HydrophobicContact CD1-CG2 4.31Å; Y853-V857 HydrophobicContact CD2-CG2 4.46Å; Y853-V857 HydrophobicContact CE1-CG2 3.82Å; Y853-V857 HydrophobicContact CE2-CG2 3.99Å; Y853-V857 PolarHBondContact O-N 3.38Å |
| 854 | K | 78.6 | Confident | 60.6 | Low | 177 Ų | 177 | 113.8 Ų | 113.8 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60 | -40.7 | 173.5 | -69.8 | -172.6 | 177.9 | -176.6 | 0 | 111.2 | P852 S858 | P852-K854 VanDerWaalsContact C-N 3.3Å; P852-K854 PolarHBondContact O-N 3.32Å; K854-S858 WeakPolarHBondContact O-CB 3.24Å; K854-S858 PolarHBondContact O-N 2.92Å; K854-S858 PolarHBondContact O-OG 3.09Å |
| 855 | T | 72.4 | Confident | 62.4 | Low | 58 Ų | 58 | 110.9 Ų | 110.9 | 36% | 0.356 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.5 | -42.1 | 173.4 | -45.5 | 0 | 0 | 0 | 0 | 111.4 | L851 P852 Y853 V857 S858 T859 | L851-T855 HydrophobicContact CB-CG2 4.47Å; L851-T855 HydrophobicContact CD2-CG2 4.21Å; P852-T855 CarbonylContact O-C 3.41Å; P852-T855 VanDerWaalsContact O-CA 3.26Å; P852-T855 WeakPolarHBondContact O-CA 3.33Å; P852-T855 VanDerWaalsContact O-CB 3.23Å; P852-T855 WeakPolarHBondContact O-CB 3.37Å; P852-T855 PolarHBondContact O-N 2.97Å; Y853-T855 VanDerWaalsContact C-N 3.27Å; Y853-T855 PolarHBondContact O-N 3.49Å; T855-V857 PolarHBondContact O-N 3.48Å; T855-S858 CarbonylContact O-C 3.46Å; T855-S858 WeakPolarHBondContact O-CA 3.49Å; T855-S858 WeakPolarHBondContact O-CB 3.29Å; T855-S858 PolarHBondContact O-N 3.41Å; T855-S858 VanDerWaalsContact O-N 3.07Å; T855-T859 WeakPolarHBondContact O-CB 3.35Å; T855-T859 PolarHBondContact O-N 3.08Å; T855-T859 PolarHBondContact O-OG1 2.96Å |
| 856 | L | 68.5 | Low | 64.7 | Low | 89 Ų | 89 | 108 Ų | 108 | 47% | 0.466 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -59.3 | -46 | 176.1 | 178.6 | 63.9 | 0 | 0 | 0 | 112.1 | P852 Y853 S858 T859 V860 | P852-L856 PolarHBondContact O-N 3.45Å; Y853-L856 PolarHBondContact O-N 3.11Å; L856-S858 VanDerWaalsContact C-N 3.29Å; L856-S858 PolarHBondContact O-N 3.15Å; L856-T859 WeakPolarHBondContact O-CB 3.29Å; L856-T859 PolarHBondContact O-N 2.85Å; L856-T859 VanDerWaalsContact O-N 3.08Å; L856-V860 HydrophobicContact CD1-CG2 4.33Å; L856-V860 WeakPolarHBondContact O-CG2 3.27Å; L856-V860 PolarHBondContact O-N 3.47Å |
| 857 | V | 76.3 | Confident | 66.3 | Low | 76 Ų | 76 | 107.1 Ų | 107.1 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.6 | -33.7 | 174.8 | 177.3 | 0 | 0 | 0 | 0 | 111 | Y853 T855 G861 | Y853-V857 HydrophobicContact CD1-CG2 4.31Å; Y853-V857 HydrophobicContact CD2-CG2 4.46Å; Y853-V857 HydrophobicContact CE1-CG2 3.82Å; Y853-V857 HydrophobicContact CE2-CG2 3.99Å; Y853-V857 PolarHBondContact O-N 3.38Å; T855-V857 PolarHBondContact O-N 3.48Å; V857-G861 WeakPolarHBondContact O-CA 3.41Å; V857-G861 PolarHBondContact O-N 3.24Å |
| 858 | S | 76.8 | Confident | 68.3 | Low | 75 Ų | 75 | 107.4 Ų | 107.4 | 52% | 0.524 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.7 | -23.7 | 169.6 | -61.3 | 0 | 0 | 0 | 0 | 114.2 | K854 T855 L856 G861 S862 | K854-S858 WeakPolarHBondContact O-CB 3.24Å; K854-S858 PolarHBondContact O-N 2.92Å; K854-S858 PolarHBondContact O-OG 3.09Å; T855-S858 CarbonylContact O-C 3.46Å; T855-S858 WeakPolarHBondContact O-CA 3.49Å; T855-S858 WeakPolarHBondContact O-CB 3.29Å; T855-S858 PolarHBondContact O-N 3.41Å; T855-S858 VanDerWaalsContact O-N 3.07Å; L856-S858 VanDerWaalsContact C-N 3.29Å; L856-S858 PolarHBondContact O-N 3.15Å; S858-G861 CarbonylContact O-C 3.53Å; S858-S862 WeakPolarHBondContact O-CB 3.38Å; S858-S862 PolarHBondContact O-N 3.17Å; S858-S862 PolarHBondContact O-OG 3.22Å |
| 859 | T | 78.5 | Confident | 69.8 | Low | 42 Ų | 42 | 105.9 Ų | 105.9 | 26% | 0.258 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -77.5 | -52.3 | 175.7 | -62.2 | 0 | 0 | 0 | 0 | 109 | T855 L856 G861 S862 M863 | T855-T859 WeakPolarHBondContact O-CB 3.35Å; T855-T859 PolarHBondContact O-N 3.08Å; T855-T859 PolarHBondContact O-OG1 2.96Å; L856-T859 WeakPolarHBondContact O-CB 3.29Å; L856-T859 PolarHBondContact O-N 2.85Å; L856-T859 VanDerWaalsContact O-N 3.08Å; T859-G861 PolarHBondContact O-N 3.37Å; T859-S862 PolarHBondContact O-N 3.48Å; T859-S862 VanDerWaalsContact O-N 3.09Å; T859-S862 PolarHBondContact O-OG 2.86Å; T859-M863 HydrophobicContact CG2-CG 4.24Å; T859-M863 HydrophobicContact CG2-SD 3.78Å; T859-M863 WeakPolarHBondContact O-CB 3.39Å; T859-M863 VanDerWaalsContact O-CG 3.24Å; T859-M863 WeakPolarHBondContact O-CG 3.44Å; T859-M863 PolarHBondContact O-N 3.37Å |
| 860 | V | 70.8 | Confident | 71.6 | Confident | 78 Ų | 78 | 100 Ų | 100 | 47% | 0.473 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57.7 | -36.4 | 169.8 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | L856 F865 | L856-V860 HydrophobicContact CD1-CG2 4.33Å; L856-V860 WeakPolarHBondContact O-CG2 3.27Å; L856-V860 PolarHBondContact O-N 3.47Å; V860-F865 HydrophobicContact CG1-CE2 3.84Å; V860-F865 HydrophobicContact CG1-CZ 4.21Å; V860-F865 WeakPolarHBondContact O-CE2 3.12Å |
| 861 | G | 75.6 | Confident | 72.9 | Confident | 68 Ų | 68 | 95.4 Ų | 95.4 | 70% | 0.701 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -0.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | V857 S858 T859 | V857-G861 WeakPolarHBondContact O-CA 3.41Å; V857-G861 PolarHBondContact O-N 3.24Å; S858-G861 CarbonylContact O-C 3.53Å; T859-G861 PolarHBondContact O-N 3.37Å |
| 862 | S | 74.7 | Confident | 74.3 | Confident | 90 Ų | 90 | 98.6 Ų | 98.6 | 63% | 0.629 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124 | -15.8 | 172.7 | 58 | 0 | 0 | 0 | 0 | 113.6 | S858 T859 V864 | S858-S862 WeakPolarHBondContact O-CB 3.38Å; S858-S862 PolarHBondContact O-N 3.17Å; S858-S862 PolarHBondContact O-OG 3.22Å; T859-S862 PolarHBondContact O-N 3.48Å; T859-S862 VanDerWaalsContact O-N 3.09Å; T859-S862 PolarHBondContact O-OG 2.86Å; S862-V864 PolarHBondContact O-N 3.2Å |
| 863 | M | 73.7 | Confident | 74.6 | Confident | 115 Ų | 115 | 100.1 Ų | 100.1 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -68.5 | 117.4 | 163.9 | -73.6 | 178.6 | 72.5 | 0 | 0 | 109.1 | T859 F865 | T859-M863 HydrophobicContact CG2-CG 4.24Å; T859-M863 HydrophobicContact CG2-SD 3.78Å; T859-M863 WeakPolarHBondContact O-CB 3.39Å; T859-M863 VanDerWaalsContact O-CG 3.24Å; T859-M863 WeakPolarHBondContact O-CG 3.44Å; T859-M863 PolarHBondContact O-N 3.37Å; M863-F865 HydrophobicContact CB-CE2 4.37Å; M863-F865 WeakPolarHBondContact O-CD2 3.47Å; M863-F865 PolarHBondContact O-N 3.35Å |
| 864 | V | 72.1 | Confident | 75.1 | Confident | 147 Ų | 147 | 96.2 Ų | 96.2 | 89% | 0.891 | 54% | 0.538 | S | S | * | . | trans | -75.3 | 94.3 | 172.6 | -178 | 0 | 0 | 0 | 0 | 108 | S862 | S862-V864 PolarHBondContact O-N 3.2Š| ||
| 865 | F | 72.9 | Confident | 75.1 | Confident | 102 Ų | 102 | 92.1 Ų | 92.1 | 45% | 0.447 | 52% | 0.521 | S | S | . | . | trans | -63.8 | 143.9 | 169 | -71.8 | -86.4 | 0 | 0 | 0 | 110.8 | V860 M863 E869 | V860-F865 HydrophobicContact CG1-CE2 3.84Å; V860-F865 HydrophobicContact CG1-CZ 4.21Å; V860-F865 WeakPolarHBondContact O-CE2 3.12Å; M863-F865 HydrophobicContact CB-CE2 4.37Å; M863-F865 WeakPolarHBondContact O-CD2 3.47Å; M863-F865 PolarHBondContact O-N 3.35Å; F865-E869 HydrophobicContact CD1-CB 3.99Å | ||
| 866 | S | 80.2 | Confident | 75.4 | Confident | 63 Ų | 63 | 94.8 Ų | 94.8 | 44% | 0.441 | 53% | 0.532 | S | S | . | . | trans | -78.1 | 156.9 | 164.3 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | G868 E869 A870 | S866-G868 VanDerWaalsContact C-N 3.27Å; S866-G868 PolarHBondContact O-N 3.02Å; S866-E869 WeakPolarHBondContact CB-OE2 3.4Å; S866-E869 PolarHBondContact N-OE2 3.41Å; S866-E869 PolarHBondContact O-N 2.88Å; S866-E869 VanDerWaalsContact OG-CD 3.29Å; S866-E869 WeakPolarHBondContact OG-CG 3.42Å; S866-E869 PolarHBondContact OG-OE2 3.44Å; S866-A870 PolarHBondContact O-N 2.97Å | ||
| 867 | E | 69.4 | Low | 75.6 | Confident | 159 Ų | 159 | 96.2 Ų | 96.2 | 74% | 0.743 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -55 | -40.3 | -177.4 | -168.7 | 172.7 | -179.4 | 0 | 0 | 112.6 | E869 A870 Q871 | E867-E869 VanDerWaalsContact C-N 3.33Å; E867-E869 PolarHBondContact O-N 2.86Å; E867-A870 PolarHBondContact O-N 3.19Å; E867-Q871 PolarHBondContact O-N 3.47Å; E867-Q871 PolarHBondContact O-OE1 3.05Å |
| 868 | G | 78.2 | Confident | 75.4 | Confident | 49 Ų | 49 | 96 Ų | 96 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.5 | -28 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S866 R872 | S866-G868 VanDerWaalsContact C-N 3.27Å; S866-G868 PolarHBondContact O-N 3.02Å; G868-R872 PolarHBondContact O-N 2.77Å |
| 869 | E | 79 | Confident | 74.7 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 49% | 0.486 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -77.5 | -34.1 | 176.4 | -66.1 | 164.7 | 123.1 | 0 | 0 | 111.2 | F865 S866 E867 L873 | F865-E869 HydrophobicContact CD1-CB 3.99Å; S866-E869 WeakPolarHBondContact CB-OE2 3.4Å; S866-E869 PolarHBondContact N-OE2 3.41Å; S866-E869 PolarHBondContact O-N 2.88Å; S866-E869 VanDerWaalsContact OG-CD 3.29Å; S866-E869 WeakPolarHBondContact OG-CG 3.42Å; S866-E869 PolarHBondContact OG-OE2 3.44Å; E867-E869 VanDerWaalsContact C-N 3.33Å; E867-E869 PolarHBondContact O-N 2.86Å; E869-L873 PolarHBondContact O-N 2.96Å |
| 870 | A | 74.7 | Confident | 73.9 | Confident | 40 Ų | 40 | 106.6 Ų | 106.6 | 33% | 0.331 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.7 | -44.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S866 E867 R872 L873 I874 | S866-A870 PolarHBondContact O-N 2.97Å; E867-A870 PolarHBondContact O-N 3.19Å; A870-R872 VanDerWaalsContact C-N 3.34Å; A870-R872 PolarHBondContact O-N 3.16Å; A870-L873 PolarHBondContact O-N 3.46Å; A870-L873 VanDerWaalsContact O-N 3.11Å; A870-I874 WeakPolarHBondContact O-CG1 3.32Å; A870-I874 PolarHBondContact O-N 3.49Å; A870-I874 VanDerWaalsContact O-N 3.14Å |
| 871 | Q | 78.3 | Confident | 72.8 | Confident | 108 Ų | 108 | 108.8 Ų | 108.8 | 51% | 0.505 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -55.3 | -46.8 | 176.7 | -116.5 | 70.6 | -12.7 | 0 | 0 | 112.2 | E867 L873 I874 E875 | E867-Q871 PolarHBondContact O-N 3.47Å; E867-Q871 PolarHBondContact O-OE1 3.05Å; Q871-L873 PolarHBondContact O-N 2.92Å; Q871-I874 PolarHBondContact O-N 3.1Å; Q871-I874 VanDerWaalsContact O-N 3.13Å; Q871-E875 WeakPolarHBondContact O-CB 3.37Å; Q871-E875 PolarHBondContact O-N 3.36Å |
| 872 | R | 78.1 | Confident | 71.1 | Confident | 167 Ų | 167 | 108.3 Ų | 108.3 | 63% | 0.63 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -55.3 | -37.9 | 176.8 | -82.6 | -65.8 | -162.7 | -171.7 | 4.3 | 113.4 | G868 A870 E875 I876 | G868-R872 PolarHBondContact O-N 2.77Å; A870-R872 VanDerWaalsContact C-N 3.34Å; A870-R872 PolarHBondContact O-N 3.16Å; R872-E875 IonicContact NH1-OE2 3.71Å; R872-E875 PolarHBondContact NH1-OE2 3.38Å; R872-I876 WeakPolarHBondContact O-CD1 3.17Å; R872-I876 WeakPolarHBondContact O-CG1 3.45Å |
| 873 | L | 73 | Confident | 69.6 | Low | 115 Ų | 115 | 110.9 Ų | 110.9 | 60% | 0.602 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.4 | -35.1 | -179.8 | -165.2 | 67.1 | 0 | 0 | 0 | 111.8 | E869 A870 Q871 L877 | E869-L873 PolarHBondContact O-N 2.96Å; A870-L873 PolarHBondContact O-N 3.46Å; A870-L873 VanDerWaalsContact O-N 3.11Å; Q871-L873 PolarHBondContact O-N 2.92Å; L873-L877 WeakPolarHBondContact O-CD1 3.43Å; L873-L877 WeakPolarHBondContact O-CG 3.31Å |
| 874 | I | 76.2 | Confident | 67.6 | Low | 99 Ų | 99 | 112.8 Ų | 112.8 | 51% | 0.508 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.6 | -40.5 | 178.1 | -64.9 | 164.1 | 0 | 0 | 0 | 111.3 | A870 Q871 L877 S878 | A870-I874 WeakPolarHBondContact O-CG1 3.32Å; A870-I874 PolarHBondContact O-N 3.49Å; A870-I874 VanDerWaalsContact O-N 3.14Å; Q871-I874 PolarHBondContact O-N 3.1Å; Q871-I874 VanDerWaalsContact O-N 3.13Å; I874-L877 PolarHBondContact O-N 3.11Å; I874-S878 WeakPolarHBondContact O-CB 3.35Å; I874-S878 PolarHBondContact O-N 3.44Å; I874-S878 PolarHBondContact O-OG 3.17Å |
| 875 | E | 78.2 | Confident | 65.5 | Low | 91 Ų | 91 | 114.9 Ų | 114.9 | 43% | 0.425 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -55.7 | -53 | 178.3 | -174 | 171.5 | -110.1 | 0 | 0 | 111 | Q871 R872 L877 S878 E879 | Q871-E875 WeakPolarHBondContact O-CB 3.37Å; Q871-E875 PolarHBondContact O-N 3.36Å; R872-E875 IonicContact NH1-OE2 3.71Å; R872-E875 PolarHBondContact NH1-OE2 3.38Å; E875-L877 PolarHBondContact O-N 2.97Å; E875-S878 PolarHBondContact O-N 2.95Å; E875-E879 PolarHBondContact O-N 3.35Å |
| 876 | I | 78.3 | Confident | 63.5 | Low | 113 Ų | 113 | 116.9 Ų | 116.9 | 58% | 0.579 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.1 | -30.9 | 178.1 | -67.1 | 168.6 | 0 | 0 | 0 | 113.1 | R872 | R872-I876 WeakPolarHBondContact O-CD1 3.17Å; R872-I876 WeakPolarHBondContact O-CG1 3.45Å |
| 877 | L | 73.1 | Confident | 61.5 | Low | 120 Ų | 120 | 120.6 Ų | 120.6 | 63% | 0.628 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.9 | -26.9 | 177.2 | -67.1 | 170.6 | 0 | 0 | 0 | 112.6 | L873 I874 E875 T881 | L873-L877 WeakPolarHBondContact O-CD1 3.43Å; L873-L877 WeakPolarHBondContact O-CG 3.31Å; I874-L877 PolarHBondContact O-N 3.11Å; E875-L877 PolarHBondContact O-N 2.97Å; L877-T881 PolarHBondContact O-OG1 3.15Å |
| 878 | S | 71.4 | Confident | 59.3 | Low | 70 Ų | 70 | 123.2 Ų | 123.2 | 49% | 0.49 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -84 | -48.6 | -174.8 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | I874 E875 K880 T881 | I874-S878 WeakPolarHBondContact O-CB 3.35Å; I874-S878 PolarHBondContact O-N 3.44Å; I874-S878 PolarHBondContact O-OG 3.17Å; E875-S878 PolarHBondContact O-N 2.95Å; S878-K880 PolarHBondContact O-N 2.91Å; S878-K880 VanDerWaalsContact O-N 3.09Å; S878-T881 PolarHBondContact O-N 2.95Å; S878-T881 VanDerWaalsContact O-N 3.14Å |
| 879 | E | 62.8 | Low | 57 | Low | 152 Ų | 152 | 127.4 Ų | 127.4 | 71% | 0.71 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -58.4 | -28.1 | -177.7 | -68.3 | -170.6 | 136.6 | 0 | 0 | 112.9 | E875 T881 | E875-E879 PolarHBondContact O-N 3.35Å; E879-T881 PolarHBondContact O-N 2.81Å; E879-T881 VanDerWaalsContact O-N 3.15Å |
| 880 | K | 61.1 | Low | 55 | Low | 189 Ų | 189 | 132.2 Ų | 132.2 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -74.2 | 0.9 | -177.9 | -146.2 | 173.6 | -175.5 | 177.6 | 0 | 114.7 | S878 | S878-K880 PolarHBondContact O-N 2.91Å; S878-K880 VanDerWaalsContact O-N 3.09Å |
| 881 | T | 48 | Very low | 53.4 | Low | 123 Ų | 123 | 134.4 Ų | 134.4 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -129.3 | 11.1 | -168.4 | -37.1 | 0 | 0 | 0 | 0 | 113.7 | L877 S878 E879 | L877-T881 PolarHBondContact O-OG1 3.15Å; S878-T881 PolarHBondContact O-N 2.95Å; S878-T881 VanDerWaalsContact O-N 3.14Å; E879-T881 PolarHBondContact O-N 2.81Å; E879-T881 VanDerWaalsContact O-N 3.15Å |
| 882 | G | 39.7 | Very low | 51.3 | Low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 70% | 0.704 | S | S | * | * | trans | -135.7 | 48.7 | -161.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 883 | V | 42.5 | Very low | 49.5 | Very low | 145 Ų | 145 | 137 Ų | 137 | 88% | 0.879 | 72% | 0.718 | S | S | * | * | trans | -118.5 | 84.5 | 169.7 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 884 | I | 32.7 | Very low | 47.7 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | 20.3 | 125.2 | 151.8 | -57.1 | 176.4 | 0 | 0 | 0 | 119.1 | ||||
| 885 | Q | 27.8 | Very low | 46.4 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | trans | -93.7 | 113.5 | 166.3 | 165.6 | -166.4 | -15.2 | 0 | 0 | 109.9 | ||||
| 886 | D | 30.5 | Very low | 45 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | -161 | 143.4 | 160.5 | -137.5 | -22.8 | 0 | 0 | 0 | 114.3 | ||||
| 887 | T | 39.4 | Very low | 44 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 87% | 0.865 | 74% | 0.741 | S | S | * | * | trans | 135.1 | 111.7 | 172.1 | -64.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 888 | W | 22.2 | Very low | 43.8 | Very low | 213 Ų | 213 | 138.2 Ų | 138.2 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | -149.7 | 132.5 | -164.5 | -167.8 | 75.2 | 0 | 0 | 0 | 112.7 | ||||
| 889 | H | 30.5 | Very low | 43.4 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 63% | 0.634 | 75% | 0.749 | S | S | * | * | trans | 77.8 | 167.1 | 156.6 | -80.5 | 36.6 | 0 | 0 | 0 | 122.1 | ||||
| 890 | K | 37.6 | Very low | 43.4 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | trans | 83.6 | 156.2 | 177.1 | -53.2 | 179.6 | -178.1 | 175.1 | 0 | 115.2 | ||||
| 891 | A | 39.4 | Very low | 43.6 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | cis | -141.1 | 144.9 | 1.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 892 | T | 35.8 | Very low | 44.9 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | cis | 83.7 | 118.1 | 41.3 | 67 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 893 | Q | 39.1 | Very low | 46.4 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 93% | 0.93 | 73% | 0.727 | S | S | * | * | trans | 85.4 | 169.7 | 155.6 | -120.8 | 178.1 | 20.4 | 0 | 0 | 120.7 | ||||
| 894 | K | 35.6 | Very low | 47.7 | Very low | 210 Ų | 210 | 137.7 Ų | 137.7 | 91% | 0.913 | 71% | 0.708 | S | S | * | * | trans | -108.1 | 140.9 | -153.8 | -58.2 | 176.2 | -179.9 | 178.7 | 0 | 112.6 | ||||
| 895 | G | 48.7 | Very low | 49.7 | Very low | 53 Ų | 53 | 135.5 Ų | 135.5 | 55% | 0.546 | 70% | 0.697 | S | S | . | * | trans | -155.1 | 166.1 | 162 | 0 | 0 | 0 | 0 | 0 | 108.7 | P897 | G895-P897 WeakPolarHBondContact O-CD 2.96Å; G895-P897 VanDerWaalsContact O-N 3.13Å | ||
| 896 | D | 49.7 | Very low | 52.1 | Low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 69% | 0.685 | S | S | * | * | trans | -60.1 | 117.2 | 176.4 | -174.1 | -34.1 | 0 | 0 | 0 | 109.2 | V898 | D896-V898 VanDerWaalsContact C-N 3.34Å; D896-V898 PolarHBondContact O-N 2.96Å; D896-V898 PolarHBondContact OD1-N 3.42Å | ||
| 897 | P | 55.8 | Low | 54.3 | Low | 79 Ų | 79 | 132 Ų | 132 | 51% | 0.513 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -64.8 | -35.5 | -167.7 | 23.8 | -33.7 | 0 | 0 | 0 | 112.8 | G895 A899 I900 L901 | G895-P897 WeakPolarHBondContact O-CD 2.96Å; G895-P897 VanDerWaalsContact O-N 3.13Å; P897-A899 PolarHBondContact O-N 3.41Å; P897-I900 PolarHBondContact O-N 3.15Å; P897-L901 HydrophobicContact CB-CD1 3.87Å; P897-L901 HydrophobicContact CB-CG 4.44Å; P897-L901 WeakPolarHBondContact O-CB 3.31Å; P897-L901 WeakPolarHBondContact O-CD1 3.39Å; P897-L901 WeakPolarHBondContact O-CG 2.92Å; P897-L901 PolarHBondContact O-N 3Å |
| 898 | V | 69.7 | Low | 55.9 | Low | 106 Ų | 106 | 132.4 Ų | 132.4 | 64% | 0.642 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.1 | -43.6 | -161.2 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | D896 K902 | D896-V898 VanDerWaalsContact C-N 3.34Å; D896-V898 PolarHBondContact O-N 2.96Å; D896-V898 PolarHBondContact OD1-N 3.42Å; V898-K902 PolarHBondContact O-N 3.48Å; V898-K902 VanDerWaalsContact O-N 3.14Å |
| 899 | A | 62.6 | Low | 58.7 | Low | 76 Ų | 76 | 128 Ų | 128 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.3 | -38.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P897 R903 | P897-A899 PolarHBondContact O-N 3.41Å; A899-R903 PolarHBondContact O-N 2.78Å |
| 900 | I | 63.9 | Low | 61.2 | Low | 92 Ų | 92 | 129.1 Ų | 129.1 | 47% | 0.472 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -74.2 | -43.1 | 178.7 | -61.9 | 177.2 | 0 | 0 | 0 | 110.3 | P897 K902 R903 Q904 | P897-I900 PolarHBondContact O-N 3.15Å; I900-K902 VanDerWaalsContact C-N 3.27Å; I900-K902 PolarHBondContact O-N 3.41Å; I900-R903 PolarHBondContact O-N 2.94Å; I900-Q904 HydrophobicContact CG2-CG 4.19Å; I900-Q904 WeakPolarHBondContact O-CB 3.36Å; I900-Q904 WeakPolarHBondContact O-CG 3.17Å; I900-Q904 PolarHBondContact O-N 2.88Å |
| 901 | L | 64.5 | Low | 63.1 | Low | 102 Ų | 102 | 124.1 Ų | 124.1 | 53% | 0.534 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -55.3 | -41.9 | 173.6 | -78.7 | 171.2 | 0 | 0 | 0 | 111.5 | P897 R903 Q904 L905 | P897-L901 HydrophobicContact CB-CD1 3.87Å; P897-L901 HydrophobicContact CB-CG 4.44Å; P897-L901 WeakPolarHBondContact O-CB 3.31Å; P897-L901 WeakPolarHBondContact O-CD1 3.39Å; P897-L901 WeakPolarHBondContact O-CG 2.92Å; P897-L901 PolarHBondContact O-N 3Å; L901-R903 PolarHBondContact O-N 2.72Å; L901-Q904 PolarHBondContact O-N 3.09Å; L901-L905 VanDerWaalsContact O-CB 3.25Å; L901-L905 WeakPolarHBondContact O-CB 3.16Å; L901-L905 PolarHBondContact O-N 2.93Å |
| 902 | K | 75 | Confident | 65 | Low | 159 Ų | 159 | 124.7 Ų | 124.7 | 69% | 0.691 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.9 | -37.3 | -179.9 | -162.9 | 170.2 | -173.3 | 176.2 | 0 | 112.8 | V898 I900 Q906 | V898-K902 PolarHBondContact O-N 3.48Å; V898-K902 VanDerWaalsContact O-N 3.14Å; I900-K902 VanDerWaalsContact C-N 3.27Å; I900-K902 PolarHBondContact O-N 3.41Å; K902-Q906 PolarHBondContact O-N 3.2Å |
| 903 | R | 72.1 | Confident | 67.2 | Low | 194 Ų | 194 | 121.3 Ų | 121.3 | 73% | 0.732 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68 | -46.4 | 173.9 | -160.1 | -176.2 | -157.5 | 110.3 | 1.1 | 111.3 | A899 I900 L901 L905 Q906 E907 | A899-R903 PolarHBondContact O-N 2.78Å; I900-R903 PolarHBondContact O-N 2.94Å; L901-R903 PolarHBondContact O-N 2.72Å; R903-L905 VanDerWaalsContact C-N 3.31Å; R903-L905 PolarHBondContact O-N 3.36Å; R903-Q906 PolarHBondContact O-N 2.92Å; R903-E907 WeakPolarHBondContact O-CB 3.16Å; R903-E907 PolarHBondContact O-N 3.03Å |
| 904 | Q | 69.4 | Low | 69.1 | Low | 103 Ų | 103 | 115.2 Ų | 115.2 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.2 | -36.2 | 176 | -74.1 | -178.6 | -15.4 | 0 | 0 | 112.4 | I900 L901 K908 | I900-Q904 HydrophobicContact CG2-CG 4.19Å; I900-Q904 WeakPolarHBondContact O-CB 3.36Å; I900-Q904 WeakPolarHBondContact O-CG 3.17Å; I900-Q904 PolarHBondContact O-N 2.88Å; L901-Q904 PolarHBondContact O-N 3.09Å; Q904-K908 WeakPolarHBondContact O-CB 3.42Å; Q904-K908 WeakPolarHBondContact O-CG 3.43Å; Q904-K908 PolarHBondContact O-N 3.04Å |
| 905 | L | 75.7 | Confident | 71 | Confident | 107 Ų | 107 | 111.4 Ų | 111.4 | 56% | 0.56 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.3 | -49.4 | 176.5 | -168.4 | 79.1 | 0 | 0 | 0 | 110.6 | L901 R903 E907 K908 E909 | L901-L905 VanDerWaalsContact O-CB 3.25Å; L901-L905 WeakPolarHBondContact O-CB 3.16Å; L901-L905 PolarHBondContact O-N 2.93Å; R903-L905 VanDerWaalsContact C-N 3.31Å; R903-L905 PolarHBondContact O-N 3.36Å; L905-E907 VanDerWaalsContact C-N 3.31Å; L905-E907 PolarHBondContact O-N 2.94Å; L905-K908 CarbonylContact O-C 3.57Å; L905-K908 WeakPolarHBondContact O-CB 3.3Å; L905-K908 PolarHBondContact O-N 3.48Å; L905-E909 WeakPolarHBondContact O-CG 2.93Å; L905-E909 PolarHBondContact O-N 2.95Å |
| 906 | Q | 78.1 | Confident | 72.7 | Confident | 139 Ų | 139 | 115 Ų | 115 | 65% | 0.65 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.3 | -32.9 | -179.3 | -162.5 | 173.1 | 16.9 | 0 | 0 | 112.4 | K902 R903 K910 | K902-Q906 PolarHBondContact O-N 3.2Å; R903-Q906 PolarHBondContact O-N 2.92Å; Q906-K910 PolarHBondContact O-N 3.24Å |
| 907 | E | 76.2 | Confident | 74.4 | Confident | 125 Ų | 125 | 115.9 Ų | 115.9 | 58% | 0.584 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.4 | -36.8 | 173.7 | -163.7 | 159.1 | -121.1 | 0 | 0 | 111.8 | R903 L905 K910 L911 | R903-E907 WeakPolarHBondContact O-CB 3.16Å; R903-E907 PolarHBondContact O-N 3.03Å; L905-E907 VanDerWaalsContact C-N 3.31Å; L905-E907 PolarHBondContact O-N 2.94Å; E907-K910 PolarHBondContact O-N 2.97Å; E907-L911 WeakPolarHBondContact O-CG 3.28Å; E907-L911 PolarHBondContact O-N 3.12Å |
| 908 | K | 73.1 | Confident | 75.6 | Confident | 148 Ų | 148 | 117.7 Ų | 117.7 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.8 | -41.5 | 170.7 | -80.7 | -77.7 | -175.6 | 177.8 | 0 | 112.6 | Q904 L905 K910 L911 L912 | Q904-K908 WeakPolarHBondContact O-CB 3.42Å; Q904-K908 WeakPolarHBondContact O-CG 3.43Å; Q904-K908 PolarHBondContact O-N 3.04Å; L905-K908 CarbonylContact O-C 3.57Å; L905-K908 WeakPolarHBondContact O-CB 3.3Å; L905-K908 PolarHBondContact O-N 3.48Å; K908-K910 VanDerWaalsContact C-N 3.32Å; K908-K910 PolarHBondContact O-N 2.95Å; K908-L911 PolarHBondContact O-N 2.87Å; K908-L912 VanDerWaalsContact O-CB 3.23Å; K908-L912 WeakPolarHBondContact O-CB 3.49Å; K908-L912 PolarHBondContact O-N 3.17Å |
| 909 | E | 81.1 | Confident | 76.1 | Confident | 120 Ų | 120 | 115 Ų | 115 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.1 | -41.1 | 175.4 | -76.6 | 178.5 | 139.4 | 0 | 0 | 111.2 | L905 L912 A913 | L905-E909 WeakPolarHBondContact O-CG 2.93Å; L905-E909 PolarHBondContact O-N 2.95Å; E909-L912 PolarHBondContact O-N 3.25Å; E909-A913 PolarHBondContact O-N 2.83Å |
| 910 | K | 81.5 | Confident | 77.2 | Confident | 161 Ų | 161 | 114.2 Ų | 114.2 | 70% | 0.7 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.2 | -42.3 | 175.5 | -168.3 | 179.7 | 179.7 | -174.2 | 0 | 112.3 | Q906 E907 K908 A913 T914 | Q906-K910 PolarHBondContact O-N 3.24Å; E907-K910 PolarHBondContact O-N 2.97Å; K908-K910 VanDerWaalsContact C-N 3.32Å; K908-K910 PolarHBondContact O-N 2.95Å; K910-A913 PolarHBondContact O-N 2.99Å; K910-T914 PolarHBondContact O-N 3.49Å; K910-T914 PolarHBondContact O-OG1 3.24Å |
| 911 | L | 77.6 | Confident | 78.4 | Confident | 101 Ų | 101 | 113.2 Ų | 113.2 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.6 | -40.8 | 175 | -74.6 | 167.4 | 0 | 0 | 0 | 112.1 | E907 K908 A913 T914 E915 | E907-L911 WeakPolarHBondContact O-CG 3.28Å; E907-L911 PolarHBondContact O-N 3.12Å; K908-L911 PolarHBondContact O-N 2.87Å; L911-A913 VanDerWaalsContact C-N 3.29Å; L911-A913 PolarHBondContact O-N 2.93Å; L911-T914 WeakPolarHBondContact CA-OG1 3.45Å; L911-T914 PolarHBondContact O-N 3.14Å; L911-T914 PolarHBondContact O-OG1 3.15Å; L911-E915 VanDerWaalsContact O-CB 3.31Å; L911-E915 WeakPolarHBondContact O-CB 3.47Å; L911-E915 PolarHBondContact O-N 2.98Å |
| 912 | L | 79.7 | Confident | 79.3 | Confident | 97 Ų | 97 | 111 Ų | 111 | 51% | 0.508 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63 | -35.5 | 176.2 | -172.6 | 72.9 | 0 | 0 | 0 | 111.6 | K908 E909 E915 Q916 | K908-L912 VanDerWaalsContact O-CB 3.23Å; K908-L912 WeakPolarHBondContact O-CB 3.49Å; K908-L912 PolarHBondContact O-N 3.17Å; E909-L912 PolarHBondContact O-N 3.25Å; L912-E915 PolarHBondContact O-N 3.23Å; L912-Q916 WeakPolarHBondContact O-CB 3.34Å; L912-Q916 WeakPolarHBondContact O-CG 3.38Å; L912-Q916 PolarHBondContact O-N 2.96Å |
| 913 | A | 82 | Confident | 79.8 | Confident | 60 Ų | 60 | 109.7 Ų | 109.7 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E909 K910 L911 Q916 E917 | E909-A913 PolarHBondContact O-N 2.83Å; K910-A913 PolarHBondContact O-N 2.99Å; L911-A913 VanDerWaalsContact C-N 3.29Å; L911-A913 PolarHBondContact O-N 2.93Å; A913-Q916 PolarHBondContact O-N 2.85Å; A913-E917 PolarHBondContact O-N 3.1Å; A913-E917 VanDerWaalsContact O-N 3.1Å |
| 914 | T | 78.8 | Confident | 80.5 | Confident | 70 Ų | 70 | 103.5 Ų | 103.5 | 43% | 0.429 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 174.4 | 44.4 | 0 | 0 | 0 | 0 | 112.4 | K910 L911 Q916 E917 D918 | K910-T914 PolarHBondContact O-N 3.49Å; K910-T914 PolarHBondContact O-OG1 3.24Å; L911-T914 WeakPolarHBondContact CA-OG1 3.45Å; L911-T914 PolarHBondContact O-N 3.14Å; L911-T914 PolarHBondContact O-OG1 3.15Å; T914-Q916 VanDerWaalsContact C-N 3.34Å; T914-Q916 PolarHBondContact O-N 2.89Å; T914-E917 PolarHBondContact O-N 3.08Å; T914-D918 PolarHBondContact O-N 3.33Å |
| 915 | E | 77 | Confident | 81.4 | Confident | 130 Ų | 130 | 104.9 Ų | 104.9 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.9 | -35.1 | 176.9 | -173.8 | 175.2 | -165.9 | 0 | 0 | 112 | L911 L912 A919 | L911-E915 VanDerWaalsContact O-CB 3.31Å; L911-E915 WeakPolarHBondContact O-CB 3.47Å; L911-E915 PolarHBondContact O-N 2.98Å; L912-E915 PolarHBondContact O-N 3.23Å; E915-A919 WeakPolarHBondContact O-CB 3.43Å; E915-A919 PolarHBondContact O-N 2.95Å |
| 916 | Q | 83.6 | Confident | 81.8 | Confident | 129 Ų | 129 | 105.5 Ų | 105.5 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.7 | -37.5 | 171.2 | -76.5 | -76.2 | -18.8 | 0 | 0 | 112.5 | L912 A913 T914 A920 | L912-Q916 WeakPolarHBondContact O-CB 3.34Å; L912-Q916 WeakPolarHBondContact O-CG 3.38Å; L912-Q916 PolarHBondContact O-N 2.96Å; A913-Q916 PolarHBondContact O-N 2.85Å; T914-Q916 VanDerWaalsContact C-N 3.34Å; T914-Q916 PolarHBondContact O-N 2.89Å; Q916-A920 WeakPolarHBondContact O-CB 3.25Å; Q916-A920 PolarHBondContact O-N 3.14Å |
| 917 | E | 85.3 | Confident | 82.2 | Confident | 136 Ų | 136 | 107 Ų | 107 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.7 | -46.5 | 177.7 | -168.3 | 163.5 | -160.3 | 0 | 0 | 111.3 | A913 T914 A919 A920 V921 | A913-E917 PolarHBondContact O-N 3.1Å; A913-E917 VanDerWaalsContact O-N 3.1Å; T914-E917 PolarHBondContact O-N 3.08Å; E917-A919 PolarHBondContact O-N 2.86Å; E917-A920 WeakPolarHBondContact O-CB 3.37Å; E917-A920 PolarHBondContact O-N 3.27Å; E917-A920 VanDerWaalsContact O-N 3.12Å; E917-V921 WeakPolarHBondContact O-CG2 3.48Å; E917-V921 PolarHBondContact O-N 3.29Å |
| 918 | D | 81.6 | Confident | 82.7 | Confident | 116 Ų | 116 | 107 Ų | 107 | 62% | 0.62 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61 | -41.4 | 172.2 | -82.3 | -38.7 | 0 | 0 | 0 | 112.1 | T914 A920 V921 A922 | T914-D918 PolarHBondContact O-N 3.33Å; D918-A920 VanDerWaalsContact C-N 3.32Å; D918-A920 PolarHBondContact O-N 2.73Å; D918-V921 PolarHBondContact O-N 3.27Å; D918-A922 WeakPolarHBondContact O-CB 3.39Å; D918-A922 PolarHBondContact O-N 3.13Å |
| 919 | A | 79.5 | Confident | 83.4 | Confident | 51 Ų | 51 | 105.1 Ų | 105.1 | 42% | 0.421 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E915 E917 K923 | E915-A919 WeakPolarHBondContact O-CB 3.43Å; E915-A919 PolarHBondContact O-N 2.95Å; E917-A919 PolarHBondContact O-N 2.86Å; A919-K923 WeakPolarHBondContact O-CB 3.36Å; A919-K923 PolarHBondContact O-N 3.41Å |
| 920 | A | 85.9 | Confident | 83.6 | Confident | 58 Ų | 58 | 104.7 Ų | 104.7 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q916 E917 D918 K923 S924 | Q916-A920 WeakPolarHBondContact O-CB 3.25Å; Q916-A920 PolarHBondContact O-N 3.14Å; E917-A920 WeakPolarHBondContact O-CB 3.37Å; E917-A920 PolarHBondContact O-N 3.27Å; E917-A920 VanDerWaalsContact O-N 3.12Å; D918-A920 VanDerWaalsContact C-N 3.32Å; D918-A920 PolarHBondContact O-N 2.73Å; A920-K923 PolarHBondContact O-N 3.34Å; A920-S924 PolarHBondContact O-N 2.99Å |
| 921 | V | 88.9 | Confident | 84 | Confident | 71 Ų | 71 | 104.9 Ų | 104.9 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 174 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | E917 D918 K923 S924 K925 | E917-V921 WeakPolarHBondContact O-CG2 3.48Å; E917-V921 PolarHBondContact O-N 3.29Å; D918-V921 PolarHBondContact O-N 3.27Å; V921-K923 PolarHBondContact O-N 2.96Å; V921-S924 WeakPolarHBondContact O-CB 3.44Å; V921-S924 PolarHBondContact O-N 2.83Å; V921-S924 VanDerWaalsContact O-N 3.15Å; V921-K925 PolarHBondContact O-N 2.89Å |
| 922 | A | 82.9 | Confident | 84.6 | Confident | 55 Ų | 55 | 105.9 Ų | 105.9 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.5 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D918 S924 K925 L926 | D918-A922 WeakPolarHBondContact O-CB 3.39Å; D918-A922 PolarHBondContact O-N 3.13Å; A922-S924 VanDerWaalsContact C-N 3.27Å; A922-S924 PolarHBondContact O-N 2.98Å; A922-K925 PolarHBondContact O-N 2.83Å; A922-L926 WeakPolarHBondContact O-CB 3.31Å; A922-L926 PolarHBondContact O-N 3.2Å |
| 923 | K | 86.1 | Confident | 84.9 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 58% | 0.578 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.2 | -25.1 | 176.2 | -168.2 | 172.4 | -170.8 | 171.6 | 0 | 113 | A919 A920 V921 R927 | A919-K923 WeakPolarHBondContact O-CB 3.36Å; A919-K923 PolarHBondContact O-N 3.41Å; A920-K923 PolarHBondContact O-N 3.34Å; V921-K923 PolarHBondContact O-N 2.96Å; K923-R927 WeakPolarHBondContact O-CG 3.31Å; K923-R927 PolarHBondContact O-N 3.49Å |
| 924 | S | 85.6 | Confident | 85.2 | Confident | 64 Ų | 64 | 107.7 Ų | 107.7 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.4 | -54.8 | 169.5 | -159.1 | 0 | 0 | 0 | 0 | 111 | A920 V921 A922 L926 R927 E928 | A920-S924 PolarHBondContact O-N 2.99Å; V921-S924 WeakPolarHBondContact O-CB 3.44Å; V921-S924 PolarHBondContact O-N 2.83Å; V921-S924 VanDerWaalsContact O-N 3.15Å; A922-S924 VanDerWaalsContact C-N 3.27Å; A922-S924 PolarHBondContact O-N 2.98Å; S924-L926 PolarHBondContact O-N 3.05Å; S924-R927 WeakPolarHBondContact O-CB 3.37Å; S924-R927 PolarHBondContact O-N 3.02Å; S924-E928 PolarHBondContact O-N 2.83Å |
| 925 | K | 89.6 | Confident | 85.6 | Confident | 131 Ų | 131 | 107.1 Ų | 107.1 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -55.1 | -38.9 | 177.1 | -70.4 | 178.7 | 178.1 | 177 | 0 | 112.5 | V921 A922 E928 L929 | V921-K925 PolarHBondContact O-N 2.89Å; A922-K925 PolarHBondContact O-N 2.83Å; K925-E928 WeakPolarHBondContact O-CB 3.35Å; K925-E928 PolarHBondContact O-N 2.78Å; K925-L929 PolarHBondContact O-N 2.95Å |
| 926 | L | 84.5 | Confident | 86 | Confident | 121 Ų | 121 | 105.8 Ų | 105.8 | 63% | 0.634 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.5 | -33.5 | 178.8 | -163.9 | 150.5 | 0 | 0 | 0 | 112.6 | A922 S924 N930 | A922-L926 WeakPolarHBondContact O-CB 3.31Å; A922-L926 PolarHBondContact O-N 3.2Å; S924-L926 PolarHBondContact O-N 3.05Å; L926-N930 VanDerWaalsContact O-CB 3.3Å; L926-N930 WeakPolarHBondContact O-CB 3.44Å; L926-N930 PolarHBondContact O-N 3Å |
| 927 | R | 85 | Confident | 86.2 | Confident | 169 Ų | 169 | 107.5 Ų | 107.5 | 64% | 0.638 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.9 | -37.4 | 170.1 | -74.1 | 167.8 | 172.2 | 154.3 | -7.1 | 112 | K923 S924 N930 K931 | K923-R927 WeakPolarHBondContact O-CG 3.31Å; K923-R927 PolarHBondContact O-N 3.49Å; S924-R927 WeakPolarHBondContact O-CB 3.37Å; S924-R927 PolarHBondContact O-N 3.02Å; R927-N930 PolarHBondContact O-N 2.89Å; R927-K931 WeakPolarHBondContact O-CB 3.13Å; R927-K931 PolarHBondContact O-N 2.91Å |
| 928 | E | 88.2 | Confident | 86.4 | Confident | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.2 | -50.1 | -178.5 | -160.7 | 148.8 | -126.2 | 0 | 0 | 111.4 | S924 K925 N930 K931 E932 | S924-E928 PolarHBondContact O-N 2.83Å; K925-E928 WeakPolarHBondContact O-CB 3.35Å; K925-E928 PolarHBondContact O-N 2.78Å; E928-N930 VanDerWaalsContact C-N 3.29Å; E928-N930 PolarHBondContact O-N 2.84Å; E928-K931 WeakPolarHBondContact O-CA 3.32Å; E928-K931 VanDerWaalsContact O-CB 3.28Å; E928-K931 WeakPolarHBondContact O-CB 3.15Å; E928-K931 PolarHBondContact O-N 2.75Å; E928-E932 PolarHBondContact O-N 3.34Å |
| 929 | L | 87 | Confident | 86.7 | Confident | 107 Ų | 107 | 104.4 Ų | 104.4 | 56% | 0.56 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56.7 | -39.9 | 171.4 | -75.1 | 168.7 | 0 | 0 | 0 | 112.8 | K925 K931 E932 M933 | K925-L929 PolarHBondContact O-N 2.95Å; L929-K931 VanDerWaalsContact C-N 3.27Å; L929-K931 PolarHBondContact O-N 2.9Å; L929-E932 PolarHBondContact O-N 2.83Å; L929-M933 WeakPolarHBondContact O-CB 3.25Å; L929-M933 WeakPolarHBondContact O-CG 3.4Å; L929-M933 PolarHBondContact O-N 2.96Å |
| 930 | N | 85.6 | Confident | 87 | Confident | 112 Ų | 112 | 104.9 Ų | 104.9 | 60% | 0.599 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.7 | -29.1 | 177.4 | -162.3 | 19.4 | 0 | 0 | 0 | 112.1 | L926 R927 E928 A934 | L926-N930 VanDerWaalsContact O-CB 3.3Å; L926-N930 WeakPolarHBondContact O-CB 3.44Å; L926-N930 PolarHBondContact O-N 3Å; R927-N930 PolarHBondContact O-N 2.89Å; E928-N930 VanDerWaalsContact C-N 3.29Å; E928-N930 PolarHBondContact O-N 2.84Å; N930-A934 WeakPolarHBondContact O-CB 3.12Å; N930-A934 PolarHBondContact O-N 2.94Å |
| 931 | K | 89.7 | Confident | 87.2 | Confident | 164 Ų | 164 | 104.8 Ų | 104.8 | 71% | 0.713 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -73.7 | -40.7 | 174.5 | -165 | -178.4 | -179 | -172.9 | 0 | 111.6 | R927 E928 L929 A934 S935 | R927-K931 WeakPolarHBondContact O-CB 3.13Å; R927-K931 PolarHBondContact O-N 2.91Å; E928-K931 WeakPolarHBondContact O-CA 3.32Å; E928-K931 VanDerWaalsContact O-CB 3.28Å; E928-K931 WeakPolarHBondContact O-CB 3.15Å; E928-K931 PolarHBondContact O-N 2.75Å; L929-K931 VanDerWaalsContact C-N 3.27Å; L929-K931 PolarHBondContact O-N 2.9Å; K931-A934 PolarHBondContact O-N 3.41Å; K931-S935 PolarHBondContact O-N 2.83Å; K931-S935 VanDerWaalsContact O-N 3.08Å |
| 932 | E | 89.4 | Confident | 87.2 | Confident | 123 Ų | 123 | 104 Ų | 104 | 58% | 0.575 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.8 | -49.5 | 171.8 | -68.5 | -168.3 | 130.8 | 0 | 0 | 111.4 | E928 L929 A934 S935 E936 | E928-E932 PolarHBondContact O-N 3.34Å; L929-E932 PolarHBondContact O-N 2.83Å; E932-A934 VanDerWaalsContact C-N 3.3Å; E932-A934 PolarHBondContact O-N 2.81Å; E932-S935 WeakPolarHBondContact O-CA 3.43Å; E932-S935 WeakPolarHBondContact O-CB 3.46Å; E932-S935 PolarHBondContact O-N 3.4Å; E932-S935 PolarHBondContact O-OG 3.05Å; E932-E936 PolarHBondContact O-N 2.96Å |
| 933 | M | 87.2 | Confident | 87.6 | Confident | 132 Ų | 132 | 103 Ų | 103 | 65% | 0.65 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -54.1 | -43 | 175 | -82.7 | -70.7 | -69.5 | 0 | 0 | 112.8 | L929 S935 K937 | L929-M933 WeakPolarHBondContact O-CB 3.25Å; L929-M933 WeakPolarHBondContact O-CG 3.4Å; L929-M933 PolarHBondContact O-N 2.96Å; M933-S935 VanDerWaalsContact C-N 3.35Å; M933-K937 VanDerWaalsContact O-CB 3.24Å; M933-K937 WeakPolarHBondContact O-CB 3.45Å; M933-K937 PolarHBondContact O-N 2.95Å |
| 934 | A | 87.6 | Confident | 87.7 | Confident | 62 Ų | 62 | 101.8 Ų | 101.8 | 51% | 0.512 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N930 K931 E932 A938 | N930-A934 WeakPolarHBondContact O-CB 3.12Å; N930-A934 PolarHBondContact O-N 2.94Å; K931-A934 PolarHBondContact O-N 3.41Å; E932-A934 VanDerWaalsContact C-N 3.3Å; E932-A934 PolarHBondContact O-N 2.81Å; A934-A938 PolarHBondContact O-N 2.83Å; A934-A938 VanDerWaalsContact O-N 3.14Å |
| 935 | S | 87.2 | Confident | 87.8 | Confident | 58 Ų | 58 | 101.5 Ų | 101.5 | 41% | 0.406 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 178.9 | 82.3 | 0 | 0 | 0 | 0 | 112.9 | K931 E932 M933 A938 K939 | K931-S935 PolarHBondContact O-N 2.83Å; K931-S935 VanDerWaalsContact O-N 3.08Å; E932-S935 WeakPolarHBondContact O-CA 3.43Å; E932-S935 WeakPolarHBondContact O-CB 3.46Å; E932-S935 PolarHBondContact O-N 3.4Å; E932-S935 PolarHBondContact O-OG 3.05Å; M933-S935 VanDerWaalsContact C-N 3.35Å; S935-A938 WeakPolarHBondContact O-CB 3.39Å; S935-A938 PolarHBondContact O-N 2.84Å; S935-K939 PolarHBondContact O-N 3.01Å |
| 936 | E | 85.7 | Confident | 87.9 | Confident | 102 Ų | 102 | 102.4 Ų | 102.4 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.3 | -37.4 | -179.5 | -159.6 | 57.9 | -135.6 | 0 | 0 | 111.3 | E932 A938 K939 A940 | E932-E936 PolarHBondContact O-N 2.96Å; E936-A938 PolarHBondContact O-N 2.88Å; E936-K939 PolarHBondContact O-N 2.72Å; E936-K939 VanDerWaalsContact O-N 3.12Å; E936-K939 WeakPolarHBondContact OE2-CD 3.43Å; E936-K939 WeakPolarHBondContact OE2-CE 3.32Å; E936-K939 IonicContact OE2-NZ 3.22Å; E936-K939 PolarHBondContact OE2-NZ 2.95Å; E936-A940 PolarHBondContact O-N 2.62Å |
| 937 | K | 87.6 | Confident | 88.3 | Confident | 165 Ų | 165 | 101.4 Ų | 101.4 | 72% | 0.717 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.7 | -33.6 | 171.1 | -166.1 | 171.8 | -174.6 | 176.1 | 0 | 112.1 | M933 A941 | M933-K937 VanDerWaalsContact O-CB 3.24Å; M933-K937 WeakPolarHBondContact O-CB 3.45Å; M933-K937 PolarHBondContact O-N 2.95Å; K937-A941 PolarHBondContact O-N 2.98Å; K937-A941 VanDerWaalsContact O-N 3.15Å |
| 938 | A | 88.8 | Confident | 88.6 | Confident | 62 Ų | 62 | 99.2 Ų | 99.2 | 51% | 0.512 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.8 | -40 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A934 S935 E936 A941 A942 | A934-A938 PolarHBondContact O-N 2.83Å; A934-A938 VanDerWaalsContact O-N 3.14Å; S935-A938 WeakPolarHBondContact O-CB 3.39Å; S935-A938 PolarHBondContact O-N 2.84Å; E936-A938 PolarHBondContact O-N 2.88Å; A938-A941 PolarHBondContact O-N 2.84Å; A938-A942 WeakPolarHBondContact O-CB 3.32Å; A938-A942 PolarHBondContact O-N 2.86Å |
| 939 | K | 88.9 | Confident | 88.7 | Confident | 125 Ų | 125 | 101.3 Ų | 101.3 | 54% | 0.543 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 172.6 | -65.8 | -178.3 | -150.6 | 156.5 | 0 | 111.7 | S935 E936 A942 G943 | S935-K939 PolarHBondContact O-N 3.01Å; E936-K939 PolarHBondContact O-N 2.72Å; E936-K939 VanDerWaalsContact O-N 3.12Å; E936-K939 WeakPolarHBondContact OE2-CD 3.43Å; E936-K939 WeakPolarHBondContact OE2-CE 3.32Å; E936-K939 IonicContact OE2-NZ 3.22Å; E936-K939 PolarHBondContact OE2-NZ 2.95Å; K939-A942 PolarHBondContact O-N 2.86Å; K939-G943 PolarHBondContact O-N 2.87Å |
| 940 | A | 85.9 | Confident | 89 | Confident | 62 Ų | 62 | 103 Ų | 103 | 51% | 0.512 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.8 | -48.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E936 A942 G943 E944 | E936-A940 PolarHBondContact O-N 2.62Å; A940-A942 VanDerWaalsContact C-N 3.32Å; A940-A942 PolarHBondContact O-N 3.42Å; A940-G943 PolarHBondContact O-N 2.93Å; A940-G943 VanDerWaalsContact O-N 3.12Å; A940-E944 PolarHBondContact O-N 2.93Å |
| 941 | A | 89.7 | Confident | 89.3 | Confident | 55 Ų | 55 | 103 Ų | 103 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.1 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K937 A938 G943 E944 A945 | K937-A941 PolarHBondContact O-N 2.98Å; K937-A941 VanDerWaalsContact O-N 3.15Å; A938-A941 PolarHBondContact O-N 2.84Å; A941-G943 VanDerWaalsContact C-N 3.34Å; A941-E944 PolarHBondContact O-N 3.44Å; A941-A945 WeakPolarHBondContact O-CB 3.4Å; A941-A945 PolarHBondContact O-N 2.83Å |
| 942 | A | 89.2 | Confident | 89.5 | Confident | 55 Ų | 55 | 99.1 Ų | 99.1 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.2 | -31.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | A938 K939 A940 K946 | A938-A942 WeakPolarHBondContact O-CB 3.32Å; A938-A942 PolarHBondContact O-N 2.86Å; K939-A942 PolarHBondContact O-N 2.86Å; A940-A942 VanDerWaalsContact C-N 3.32Å; A940-A942 PolarHBondContact O-N 3.42Å; A942-K946 WeakPolarHBondContact O-CG 3.32Å; A942-K946 PolarHBondContact O-N 2.96Å |
| 943 | G | 90.4 | Very high | 89.6 | Confident | 34 Ų | 34 | 95.6 Ų | 95.6 | 35% | 0.351 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.2 | -50.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K939 A940 A941 A945 K946 V947 | K939-G943 PolarHBondContact O-N 2.87Å; A940-G943 PolarHBondContact O-N 2.93Å; A940-G943 VanDerWaalsContact O-N 3.12Å; A941-G943 VanDerWaalsContact C-N 3.34Å; G943-A945 VanDerWaalsContact C-N 3.31Å; G943-A945 PolarHBondContact O-N 2.84Å; G943-K946 WeakPolarHBondContact O-CB 3.29Å; G943-K946 PolarHBondContact O-N 3.06Å; G943-V947 PolarHBondContact O-N 2.9Å; G943-V947 VanDerWaalsContact O-N 3.12Å |
| 944 | E | 88.5 | Confident | 89.8 | Confident | 108 Ų | 108 | 96.9 Ų | 96.9 | 51% | 0.505 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.2 | -44.3 | 177.7 | -166.6 | -162.6 | 136.2 | 0 | 0 | 111.9 | A940 A941 K946 V947 K948 | A940-E944 PolarHBondContact O-N 2.93Å; A941-E944 PolarHBondContact O-N 3.44Å; E944-K946 VanDerWaalsContact C-N 3.3Å; E944-K946 PolarHBondContact O-N 3.17Å; E944-V947 PolarHBondContact O-N 3.4Å; E944-K948 HydrophobicContact CG-CD 4.41Å; E944-K948 PolarHBondContact O-N 3.24Å; E944-K948 VanDerWaalsContact OE1-CE 3.26Å; E944-K948 WeakPolarHBondContact OE1-CE 3.5Å; E944-K948 IonicContact OE1-NZ 2.6Å; E944-K948 PolarHBondContact OE1-NZ 2.74Å |
| 945 | A | 88.8 | Confident | 90 | Very high | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.7 | -32.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A941 G943 K949 | A941-A945 WeakPolarHBondContact O-CB 3.4Å; A941-A945 PolarHBondContact O-N 2.83Å; G943-A945 VanDerWaalsContact C-N 3.31Å; G943-A945 PolarHBondContact O-N 2.84Å; A945-K949 PolarHBondContact O-N 3.16Å |
| 946 | K | 91.5 | Very high | 90.3 | Very high | 151 Ų | 151 | 103.8 Ų | 103.8 | 66% | 0.657 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.5 | -44.1 | 173.7 | -75.4 | 176.7 | 178.2 | 179.6 | 0 | 111.6 | A942 G943 E944 K949 Q950 | A942-K946 WeakPolarHBondContact O-CG 3.32Å; A942-K946 PolarHBondContact O-N 2.96Å; G943-K946 WeakPolarHBondContact O-CB 3.29Å; G943-K946 PolarHBondContact O-N 3.06Å; E944-K946 VanDerWaalsContact C-N 3.3Å; E944-K946 PolarHBondContact O-N 3.17Å; K946-K949 PolarHBondContact O-N 3.29Å; K946-Q950 PolarHBondContact O-N 2.92Å; K946-Q950 VanDerWaalsContact O-N 3.1Å |
| 947 | V | 91.8 | Very high | 90.6 | Very high | 99 Ų | 99 | 104 Ų | 104 | 60% | 0.6 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | G943 E944 K949 Q950 L951 | G943-V947 PolarHBondContact O-N 2.9Å; G943-V947 VanDerWaalsContact O-N 3.12Å; E944-V947 PolarHBondContact O-N 3.4Å; V947-K949 VanDerWaalsContact C-N 3.31Å; V947-K949 PolarHBondContact O-N 3.07Å; V947-Q950 PolarHBondContact O-N 3.42Å; V947-Q950 VanDerWaalsContact O-N 3.09Å; V947-L951 PolarHBondContact O-N 3.32Å |
| 948 | K | 91.1 | Very high | 90.8 | Very high | 123 Ų | 123 | 101.6 Ų | 101.6 | 54% | 0.535 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58 | -39 | 175.3 | -77.2 | 176.4 | 168.3 | 174 | 0 | 112.9 | E944 L951 V952 | E944-K948 HydrophobicContact CG-CD 4.41Å; E944-K948 PolarHBondContact O-N 3.24Å; E944-K948 VanDerWaalsContact OE1-CE 3.26Å; E944-K948 WeakPolarHBondContact OE1-CE 3.5Å; E944-K948 IonicContact OE1-NZ 2.6Å; E944-K948 PolarHBondContact OE1-NZ 2.74Å; K948-L951 PolarHBondContact O-N 2.92Å; K948-V952 WeakPolarHBondContact O-CG2 3.3Å; K948-V952 PolarHBondContact O-N 2.94Å |
| 949 | K | 90.8 | Very high | 91 | Very high | 171 Ų | 171 | 101.3 Ų | 101.3 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.3 | -38.5 | 173.5 | -82.1 | -170.7 | 173.2 | -174.1 | 0 | 113.4 | A945 K946 V947 A953 | A945-K949 PolarHBondContact O-N 3.16Å; K946-K949 PolarHBondContact O-N 3.29Å; V947-K949 VanDerWaalsContact C-N 3.31Å; V947-K949 PolarHBondContact O-N 3.07Å; K949-A953 PolarHBondContact O-N 3.38Å |
| 950 | Q | 93.7 | Very high | 91.1 | Very high | 144 Ų | 144 | 97.6 Ų | 97.6 | 67% | 0.673 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.7 | -36.1 | 176.4 | -70.7 | -171.6 | 4.8 | 0 | 0 | 112.4 | K946 V947 A953 R954 | K946-Q950 PolarHBondContact O-N 2.92Å; K946-Q950 VanDerWaalsContact O-N 3.1Å; V947-Q950 PolarHBondContact O-N 3.42Å; V947-Q950 VanDerWaalsContact O-N 3.09Å; Q950-A953 PolarHBondContact O-N 2.97Å; Q950-R954 PolarHBondContact O-N 2.94Å |
| 951 | L | 92.1 | Very high | 91.4 | Very high | 112 Ų | 112 | 98.7 Ų | 98.7 | 59% | 0.586 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.2 | -52.4 | 176.4 | -172.1 | 69.3 | 0 | 0 | 0 | 111.2 | V947 K948 A953 R954 E955 | V947-L951 PolarHBondContact O-N 3.32Å; K948-L951 PolarHBondContact O-N 2.92Å; L951-A953 VanDerWaalsContact C-N 3.28Å; L951-A953 PolarHBondContact O-N 3.46Å; L951-R954 WeakPolarHBondContact O-CB 3.4Å; L951-R954 PolarHBondContact O-N 2.98Å; L951-R954 VanDerWaalsContact O-N 3.12Å; L951-E955 WeakPolarHBondContact O-CB 3.36Å; L951-E955 PolarHBondContact O-N 2.88Å |
| 952 | V | 93.5 | Very high | 91.5 | Very high | 81 Ų | 81 | 101.3 Ų | 101.3 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.2 | -36.8 | 178.9 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | K948 E955 Q956 | K948-V952 WeakPolarHBondContact O-CG2 3.3Å; K948-V952 PolarHBondContact O-N 2.94Å; V952-E955 PolarHBondContact O-N 3.07Å; V952-Q956 PolarHBondContact O-N 3.03Å |
| 953 | A | 92.1 | Very high | 91.6 | Very high | 49 Ų | 49 | 101.6 Ų | 101.6 | 41% | 0.405 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K949 Q950 L951 E955 Q956 E957 | K949-A953 PolarHBondContact O-N 3.38Å; Q950-A953 PolarHBondContact O-N 2.97Å; L951-A953 VanDerWaalsContact C-N 3.28Å; L951-A953 PolarHBondContact O-N 3.46Å; A953-E955 VanDerWaalsContact C-N 3.32Å; A953-E955 PolarHBondContact O-N 2.88Å; A953-Q956 PolarHBondContact O-N 2.88Å; A953-E957 PolarHBondContact O-N 3.4Å |
| 954 | R | 90.5 | Very high | 91.7 | Very high | 160 Ų | 160 | 108.1 Ų | 108.1 | 60% | 0.604 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63 | -37.5 | 175.2 | -82.6 | -78 | 143.5 | 84.4 | -0.3 | 112.7 | Q950 L951 E957 I958 | Q950-R954 PolarHBondContact O-N 2.94Å; L951-R954 WeakPolarHBondContact O-CB 3.4Å; L951-R954 PolarHBondContact O-N 2.98Å; L951-R954 VanDerWaalsContact O-N 3.12Å; R954-E957 WeakPolarHBondContact CD-OE2 3.42Å; R954-E957 IonicContact CZ-OE2 2.66Å; R954-E957 IonicContact NE-OE2 3.7Å; R954-E957 PolarHBondContact NE-OE2 3.42Å; R954-E957 IonicContact NH2-OE2 2.62Å; R954-E957 PolarHBondContact O-N 2.99Å; R954-I958 WeakPolarHBondContact O-CG1 3.48Å; R954-I958 PolarHBondContact O-N 3.36Å |
| 955 | E | 92.5 | Very high | 91.9 | Very high | 126 Ų | 126 | 107.6 Ų | 107.6 | 59% | 0.589 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.3 | -39 | 177.6 | -157.5 | 160.1 | -136.7 | 0 | 0 | 111.4 | L951 V952 A953 I958 A959 | L951-E955 WeakPolarHBondContact O-CB 3.36Å; L951-E955 PolarHBondContact O-N 2.88Å; V952-E955 PolarHBondContact O-N 3.07Å; A953-E955 VanDerWaalsContact C-N 3.32Å; A953-E955 PolarHBondContact O-N 2.88Å; E955-I958 PolarHBondContact O-N 3.09Å; E955-A959 PolarHBondContact O-N 2.94Å; E955-A959 VanDerWaalsContact O-N 3.09Å |
| 956 | Q | 93.4 | Very high | 92.1 | Very high | 138 Ų | 138 | 110.3 Ų | 110.3 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.5 | -40.1 | 169.5 | -74.5 | -173.5 | -21.7 | 0 | 0 | 113.2 | V952 A953 I958 A959 A960 | V952-Q956 PolarHBondContact O-N 3.03Å; A953-Q956 PolarHBondContact O-N 2.88Å; Q956-I958 PolarHBondContact O-N 3.37Å; Q956-A959 PolarHBondContact O-N 2.91Å; Q956-A960 WeakPolarHBondContact O-CB 3.47Å; Q956-A960 PolarHBondContact O-N 3.25Å |
| 957 | E | 92.1 | Very high | 92.1 | Very high | 106 Ų | 106 | 105.4 Ų | 105.4 | 50% | 0.495 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175 | -73.2 | -176.4 | 132.5 | 0 | 0 | 111.5 | A953 R954 A960 V961 | A953-E957 PolarHBondContact O-N 3.4Å; R954-E957 WeakPolarHBondContact CD-OE2 3.42Å; R954-E957 IonicContact CZ-OE2 2.66Å; R954-E957 IonicContact NE-OE2 3.7Å; R954-E957 PolarHBondContact NE-OE2 3.42Å; R954-E957 IonicContact NH2-OE2 2.62Å; R954-E957 PolarHBondContact O-N 2.99Å; E957-A960 PolarHBondContact O-N 3.02Å; E957-V961 WeakPolarHBondContact O-CG2 3.46Å; E957-V961 PolarHBondContact O-N 3.31Å |
| 958 | I | 91.3 | Very high | 92 | Very high | 115 Ų | 115 | 104.4 Ų | 104.4 | 59% | 0.59 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.2 | -47.3 | 177.9 | -68.6 | 165.2 | 0 | 0 | 0 | 110.9 | R954 E955 Q956 A960 V961 Q962 | R954-I958 WeakPolarHBondContact O-CG1 3.48Å; R954-I958 PolarHBondContact O-N 3.36Å; E955-I958 PolarHBondContact O-N 3.09Å; Q956-I958 PolarHBondContact O-N 3.37Å; I958-A960 VanDerWaalsContact C-N 3.31Å; I958-A960 PolarHBondContact O-N 3.18Å; I958-V961 PolarHBondContact O-N 3.41Å; I958-V961 VanDerWaalsContact O-N 3.16Å; I958-Q962 PolarHBondContact O-N 3.05Å |
| 959 | A | 92.3 | Very high | 92 | Very high | 56 Ų | 56 | 106.1 Ų | 106.1 | 46% | 0.463 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E955 Q956 V961 Q962 A963 | E955-A959 PolarHBondContact O-N 2.94Å; E955-A959 VanDerWaalsContact O-N 3.09Å; Q956-A959 PolarHBondContact O-N 2.91Å; A959-V961 VanDerWaalsContact C-N 3.34Å; A959-V961 PolarHBondContact O-N 2.86Å; A959-Q962 PolarHBondContact O-N 2.89Å; A959-A963 WeakPolarHBondContact O-CB 3.37Å; A959-A963 PolarHBondContact O-N 3.06Å |
| 960 | A | 91.2 | Very high | 92.1 | Very high | 48 Ų | 48 | 106.8 Ų | 106.8 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.4 | -24.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q956 E957 I958 R964 | Q956-A960 WeakPolarHBondContact O-CB 3.47Å; Q956-A960 PolarHBondContact O-N 3.25Å; E957-A960 PolarHBondContact O-N 3.02Å; I958-A960 VanDerWaalsContact C-N 3.31Å; I958-A960 PolarHBondContact O-N 3.18Å; A960-R964 WeakPolarHBondContact O-CG 3.46Å; A960-R964 PolarHBondContact O-N 3.44Å; A960-R964 PolarHBondContact O-NE 3.1Å |
| 961 | V | 93 | Very high | 92.1 | Very high | 85 Ų | 85 | 104 Ų | 104 | 52% | 0.515 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.3 | -47 | 169.5 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | E957 I958 A959 A963 R964 M965 | E957-V961 WeakPolarHBondContact O-CG2 3.46Å; E957-V961 PolarHBondContact O-N 3.31Å; I958-V961 PolarHBondContact O-N 3.41Å; I958-V961 VanDerWaalsContact O-N 3.16Å; A959-V961 VanDerWaalsContact C-N 3.34Å; A959-V961 PolarHBondContact O-N 2.86Å; V961-A963 VanDerWaalsContact C-N 3.33Å; V961-A963 PolarHBondContact O-N 3.11Å; V961-R964 PolarHBondContact O-N 3.06Å; V961-M965 PolarHBondContact O-N 3.26Å |
| 962 | Q | 92.3 | Very high | 92.1 | Very high | 110 Ų | 110 | 104.2 Ų | 104.2 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | -179.7 | -162.5 | 179.1 | 29.2 | 0 | 0 | 112.1 | I958 A959 M965 Q966 | I958-Q962 PolarHBondContact O-N 3.05Å; A959-Q962 PolarHBondContact O-N 2.89Å; Q962-M965 PolarHBondContact O-N 3.36Å; Q962-Q966 PolarHBondContact O-N 2.92Å |
| 963 | A | 91.9 | Very high | 92.2 | Very high | 60 Ų | 60 | 104.4 Ų | 104.4 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A959 V961 M965 Q966 A967 | A959-A963 WeakPolarHBondContact O-CB 3.37Å; A959-A963 PolarHBondContact O-N 3.06Å; V961-A963 VanDerWaalsContact C-N 3.33Å; V961-A963 PolarHBondContact O-N 3.11Å; A963-M965 VanDerWaalsContact C-N 3.34Å; A963-M965 PolarHBondContact O-N 3.4Å; A963-Q966 PolarHBondContact O-N 3.25Å; A963-A967 PolarHBondContact O-N 3.25Å |
| 964 | R | 91.8 | Very high | 92.3 | Very high | 171 Ų | 171 | 108 Ų | 108 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -39.6 | 174.9 | -80.4 | -178.5 | -75.4 | 177.6 | -3.1 | 112 | A960 V961 A967 S968 | A960-R964 WeakPolarHBondContact O-CG 3.46Å; A960-R964 PolarHBondContact O-N 3.44Å; A960-R964 PolarHBondContact O-NE 3.1Å; V961-R964 PolarHBondContact O-N 3.06Å; R964-A967 PolarHBondContact O-N 3.46Å; R964-S968 PolarHBondContact O-N 3.17Å |
| 965 | M | 91.9 | Very high | 92.4 | Very high | 98 Ų | 98 | 105.3 Ų | 105.3 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 175.6 | -168.9 | -178.8 | 75 | 0 | 0 | 111.7 | V961 Q962 A963 A967 S968 Y969 | V961-M965 PolarHBondContact O-N 3.26Å; Q962-M965 PolarHBondContact O-N 3.36Å; A963-M965 VanDerWaalsContact C-N 3.34Å; A963-M965 PolarHBondContact O-N 3.4Å; M965-A967 VanDerWaalsContact C-N 3.34Å; M965-A967 PolarHBondContact O-N 3.3Å; M965-S968 PolarHBondContact O-N 2.97Å; M965-Y969 HydrophobicContact CE-CE2 4.48Å; M965-Y969 HydrophobicContact CG-CD2 3.97Å; M965-Y969 HydrophobicContact CG-CE2 3.69Å; M965-Y969 VanDerWaalsContact O-CD2 3.25Å; M965-Y969 WeakPolarHBondContact O-CD2 3.28Å; M965-Y969 PolarHBondContact O-N 3.3Å; M965-Y969 VanDerWaalsContact O-N 3.08Å; M965-Y969 HydrophobicContact SD-CE2 4.2Å |
| 966 | Q | 93.2 | Very high | 92.4 | Very high | 114 Ų | 114 | 102.8 Ų | 102.8 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -35.5 | 176.7 | -72.2 | -172.8 | 12.6 | 0 | 0 | 113.2 | Q962 A963 R970 | Q962-Q966 PolarHBondContact O-N 2.92Å; A963-Q966 PolarHBondContact O-N 3.25Å; Q966-R970 PolarHBondContact O-N 3.48Å |
| 967 | A | 91 | Very high | 92.5 | Very high | 47 Ų | 47 | 102.3 Ų | 102.3 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A963 R964 M965 Y969 R970 D971 | A963-A967 PolarHBondContact O-N 3.25Å; R964-A967 PolarHBondContact O-N 3.46Å; M965-A967 VanDerWaalsContact C-N 3.34Å; M965-A967 PolarHBondContact O-N 3.3Å; A967-Y969 VanDerWaalsContact C-N 3.32Å; A967-Y969 PolarHBondContact O-N 2.82Å; A967-R970 WeakPolarHBondContact O-CB 3.31Å; A967-R970 PolarHBondContact O-N 2.91Å; A967-R970 VanDerWaalsContact O-N 3.08Å; A967-D971 PolarHBondContact O-N 2.99Å |
| 968 | S | 90.8 | Very high | 92.6 | Very high | 79 Ų | 79 | 103.1 Ų | 103.1 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.5 | -41.8 | 177.6 | -165.5 | 0 | 0 | 0 | 0 | 112.7 | R964 M965 D971 H972 | R964-S968 PolarHBondContact O-N 3.17Å; M965-S968 PolarHBondContact O-N 2.97Å; S968-D971 PolarHBondContact O-N 3.47Å; S968-H972 PolarHBondContact O-N 3.43Å |
| 969 | Y | 90.2 | Very high | 92.7 | Very high | 159 Ų | 159 | 101.8 Ų | 101.8 | 62% | 0.624 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 175 | -80.9 | -63.1 | 0 | 0 | 0 | 112.7 | M965 A967 D971 V973 | M965-Y969 HydrophobicContact CE-CE2 4.48Å; M965-Y969 HydrophobicContact CG-CD2 3.97Å; M965-Y969 HydrophobicContact CG-CE2 3.69Å; M965-Y969 VanDerWaalsContact O-CD2 3.25Å; M965-Y969 WeakPolarHBondContact O-CD2 3.28Å; M965-Y969 PolarHBondContact O-N 3.3Å; M965-Y969 VanDerWaalsContact O-N 3.08Å; M965-Y969 HydrophobicContact SD-CE2 4.2Å; A967-Y969 VanDerWaalsContact C-N 3.32Å; A967-Y969 PolarHBondContact O-N 2.82Å; Y969-D971 VanDerWaalsContact C-N 3.32Å; Y969-D971 PolarHBondContact O-N 2.87Å; Y969-V973 WeakPolarHBondContact O-CG2 2.98Å; Y969-V973 PolarHBondContact O-N 3.06Å; Y969-V973 VanDerWaalsContact O-N 3.11Å |
| 970 | R | 93.5 | Very high | 92.7 | Very high | 184 Ų | 184 | 104.2 Ų | 104.2 | 69% | 0.694 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 176 | -86 | -177.7 | 168.9 | 176.5 | -1.6 | 112.3 | Q966 A967 V973 K974 | Q966-R970 PolarHBondContact O-N 3.48Å; A967-R970 WeakPolarHBondContact O-CB 3.31Å; A967-R970 PolarHBondContact O-N 2.91Å; A967-R970 VanDerWaalsContact O-N 3.08Å; R970-V973 PolarHBondContact O-N 2.96Å; R970-K974 WeakPolarHBondContact O-CG 3.46Å; R970-K974 PolarHBondContact O-N 3.45Å |
| 971 | D | 93.2 | Very high | 92.6 | Very high | 86 Ų | 86 | 103.5 Ų | 103.5 | 46% | 0.46 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74.6 | -38.8 | -176.9 | -68.7 | -30.8 | 0 | 0 | 0 | 112.5 | A967 S968 Y969 V973 K974 E975 | A967-D971 PolarHBondContact O-N 2.99Å; S968-D971 PolarHBondContact O-N 3.47Å; Y969-D971 VanDerWaalsContact C-N 3.32Å; Y969-D971 PolarHBondContact O-N 2.87Å; D971-V973 VanDerWaalsContact C-N 3.31Å; D971-V973 PolarHBondContact O-N 3.13Å; D971-K974 WeakPolarHBondContact O-CB 3.37Å; D971-K974 PolarHBondContact O-N 3.06Å; D971-K974 WeakPolarHBondContact OD1-CE 3.23Å; D971-K974 IonicContact OD1-NZ 2.57Å; D971-K974 PolarHBondContact OD1-NZ 3.01Å; D971-E975 PolarHBondContact O-N 3Å |
| 972 | H | 92.8 | Very high | 92.7 | Very high | 117 Ų | 117 | 104.7 Ų | 104.7 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 170.2 | -112.5 | -16.7 | 0 | 0 | 0 | 112.5 | S968 K974 E975 V976 | S968-H972 PolarHBondContact O-N 3.43Å; H972-K974 PolarHBondContact O-N 3.18Å; H972-E975 IonicContact CE1-OE2 3.8Å; H972-E975 PolarHBondContact CE1-OE2 3.4Å; H972-E975 IonicContact ND1-OE2 2.72Å; H972-E975 PolarHBondContact ND1-OE2 2.97Å; H972-E975 PolarHBondContact O-N 3.3Å; H972-V976 WeakPolarHBondContact O-CG2 3.48Å; H972-V976 PolarHBondContact O-N 3.06Å |
| 973 | V | 95.3 | Very high | 92.7 | Very high | 85 Ų | 85 | 103.9 Ų | 103.9 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 175.6 | 168.7 | 0 | 0 | 0 | 0 | 111.8 | Y969 R970 D971 Q977 | Y969-V973 WeakPolarHBondContact O-CG2 2.98Å; Y969-V973 PolarHBondContact O-N 3.06Å; Y969-V973 VanDerWaalsContact O-N 3.11Å; R970-V973 PolarHBondContact O-N 2.96Å; D971-V973 VanDerWaalsContact C-N 3.31Å; D971-V973 PolarHBondContact O-N 3.13Å; V973-Q977 WeakPolarHBondContact O-CG 3.13Å; V973-Q977 PolarHBondContact O-N 2.86Å |
| 974 | K | 93.2 | Very high | 92.7 | Very high | 125 Ų | 125 | 109.3 Ų | 109.3 | 54% | 0.543 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 174.3 | -65 | 167.4 | -166.9 | 168.2 | 0 | 111.6 | R970 D971 H972 Q977 Q978 | R970-K974 WeakPolarHBondContact O-CG 3.46Å; R970-K974 PolarHBondContact O-N 3.45Å; D971-K974 WeakPolarHBondContact O-CB 3.37Å; D971-K974 PolarHBondContact O-N 3.06Å; D971-K974 WeakPolarHBondContact OD1-CE 3.23Å; D971-K974 IonicContact OD1-NZ 2.57Å; D971-K974 PolarHBondContact OD1-NZ 3.01Å; H972-K974 PolarHBondContact O-N 3.18Å; K974-Q977 PolarHBondContact O-N 3.02Å; K974-Q978 WeakPolarHBondContact O-CB 3.3Å; K974-Q978 PolarHBondContact O-N 3.17Å |
| 975 | E | 92.5 | Very high | 92.5 | Very high | 103 Ų | 103 | 104.6 Ų | 104.6 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 179.3 | -178 | 178.6 | -143.3 | 0 | 0 | 111.4 | D971 H972 Q977 Q978 L979 | D971-E975 PolarHBondContact O-N 3Å; H972-E975 IonicContact CE1-OE2 3.8Å; H972-E975 PolarHBondContact CE1-OE2 3.4Å; H972-E975 IonicContact ND1-OE2 2.72Å; H972-E975 PolarHBondContact ND1-OE2 2.97Å; H972-E975 PolarHBondContact O-N 3.3Å; E975-Q977 VanDerWaalsContact C-N 3.34Å; E975-Q977 PolarHBondContact O-N 3.23Å; E975-Q978 PolarHBondContact O-N 2.82Å; E975-Q978 VanDerWaalsContact O-N 3.13Å; E975-L979 HydrophobicContact CG-CD1 4.3Å; E975-L979 WeakPolarHBondContact O-CG 3.39Å; E975-L979 PolarHBondContact O-N 3.48Å |
| 976 | V | 93.8 | Very high | 92.3 | Very high | 73 Ų | 73 | 105 Ų | 105 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | H972 L979 Q980 | H972-V976 WeakPolarHBondContact O-CG2 3.48Å; H972-V976 PolarHBondContact O-N 3.06Å; V976-L979 PolarHBondContact O-N 3.47Å; V976-Q980 WeakPolarHBondContact O-CG 3.43Å; V976-Q980 PolarHBondContact O-N 2.93Å |
| 977 | Q | 94.3 | Very high | 92.1 | Very high | 128 Ų | 128 | 105.1 Ų | 105.1 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -40.9 | 174.2 | -76 | -176.5 | -4.7 | 0 | 0 | 112.5 | V973 K974 E975 L979 Q980 G981 | V973-Q977 WeakPolarHBondContact O-CG 3.13Å; V973-Q977 PolarHBondContact O-N 2.86Å; K974-Q977 PolarHBondContact O-N 3.02Å; E975-Q977 VanDerWaalsContact C-N 3.34Å; E975-Q977 PolarHBondContact O-N 3.23Å; Q977-L979 VanDerWaalsContact C-N 3.35Å; Q977-L979 PolarHBondContact O-N 3.31Å; Q977-Q980 PolarHBondContact O-N 3.21Å; Q977-G981 PolarHBondContact O-N 2.97Å |
| 978 | Q | 94.4 | Very high | 91.9 | Very high | 122 Ų | 122 | 108.5 Ų | 108.5 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.1 | -36.3 | 179.2 | -158.9 | -166 | 71.5 | 0 | 0 | 111.9 | K974 E975 G981 K982 | K974-Q978 WeakPolarHBondContact O-CB 3.3Å; K974-Q978 PolarHBondContact O-N 3.17Å; E975-Q978 PolarHBondContact O-N 2.82Å; E975-Q978 VanDerWaalsContact O-N 3.13Å; Q978-G981 PolarHBondContact O-N 2.99Å; Q978-K982 WeakPolarHBondContact O-CG 2.97Å; Q978-K982 PolarHBondContact O-N 3.08Å; Q978-K982 VanDerWaalsContact O-N 3.09Å |
| 979 | L | 93.6 | Very high | 91.6 | Very high | 88 Ų | 88 | 111 Ų | 111 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 173 | -69.4 | 171.2 | 0 | 0 | 0 | 111.8 | E975 V976 Q977 G981 K982 I983 | E975-L979 HydrophobicContact CG-CD1 4.3Å; E975-L979 WeakPolarHBondContact O-CG 3.39Å; E975-L979 PolarHBondContact O-N 3.48Å; V976-L979 PolarHBondContact O-N 3.47Å; Q977-L979 VanDerWaalsContact C-N 3.35Å; Q977-L979 PolarHBondContact O-N 3.31Å; L979-G981 VanDerWaalsContact C-N 3.29Å; L979-G981 PolarHBondContact O-N 3.28Å; L979-K982 PolarHBondContact O-N 3Å; L979-I983 WeakPolarHBondContact O-CG1 3.09Å; L979-I983 PolarHBondContact O-N 3.07Å |
| 980 | Q | 92.3 | Very high | 91.4 | Very high | 107 Ų | 107 | 109.8 Ų | 109.8 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60 | -37.9 | 174 | -73.5 | 179 | 7.1 | 0 | 0 | 112.4 | V976 Q977 I983 R984 | V976-Q980 WeakPolarHBondContact O-CG 3.43Å; V976-Q980 PolarHBondContact O-N 2.93Å; Q977-Q980 PolarHBondContact O-N 3.21Å; Q980-I983 PolarHBondContact O-N 3.11Å; Q980-R984 PolarHBondContact O-N 3.24Å |
| 981 | G | 90.4 | Very high | 91 | Very high | 32 Ų | 32 | 107.5 Ų | 107.5 | 33% | 0.33 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q977 Q978 L979 I983 R984 T985 | Q977-G981 PolarHBondContact O-N 2.97Å; Q978-G981 PolarHBondContact O-N 2.99Å; L979-G981 VanDerWaalsContact C-N 3.29Å; L979-G981 PolarHBondContact O-N 3.28Å; G981-I983 VanDerWaalsContact C-N 3.29Å; G981-I983 PolarHBondContact O-N 3.18Å; G981-R984 PolarHBondContact O-N 3.1Å; G981-R984 VanDerWaalsContact O-N 3.16Å; G981-T985 PolarHBondContact O-N 2.93Å; G981-T985 PolarHBondContact O-OG1 3.3Å |
| 982 | K | 94.3 | Very high | 90.6 | Very high | 110 Ų | 110 | 107.3 Ų | 107.3 | 48% | 0.478 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.1 | -39.9 | 177.2 | -73 | 164.2 | 175.9 | 166.8 | 0 | 112.5 | Q978 L979 T985 L986 | Q978-K982 WeakPolarHBondContact O-CG 2.97Å; Q978-K982 PolarHBondContact O-N 3.08Å; Q978-K982 VanDerWaalsContact O-N 3.09Å; L979-K982 PolarHBondContact O-N 3Å; K982-T985 PolarHBondContact O-N 2.99Å; K982-L986 WeakPolarHBondContact O-CG 3.37Å; K982-L986 PolarHBondContact O-N 3.04Å; K982-L986 VanDerWaalsContact O-N 3.15Å |
| 983 | I | 92.1 | Very high | 90.2 | Very high | 93 Ų | 93 | 103.3 Ų | 103.3 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.6 | -70.1 | 165.2 | 0 | 0 | 0 | 111.2 | L979 Q980 G981 L986 Q987 | L979-I983 WeakPolarHBondContact O-CG1 3.09Å; L979-I983 PolarHBondContact O-N 3.07Å; Q980-I983 PolarHBondContact O-N 3.11Å; G981-I983 VanDerWaalsContact C-N 3.29Å; G981-I983 PolarHBondContact O-N 3.18Å; I983-L986 PolarHBondContact O-N 3.15Å; I983-Q987 WeakPolarHBondContact O-CG 3.42Å; I983-Q987 PolarHBondContact O-N 3.19Å |
| 984 | R | 91.8 | Very high | 89.9 | Confident | 174 Ų | 174 | 103 Ų | 103 | 66% | 0.657 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -47 | 176 | -75 | -172.7 | -176.8 | 134 | 3.4 | 112.5 | Q980 G981 L986 Q987 E988 | Q980-R984 PolarHBondContact O-N 3.24Å; G981-R984 PolarHBondContact O-N 3.1Å; G981-R984 VanDerWaalsContact O-N 3.16Å; R984-L986 VanDerWaalsContact C-N 3.27Å; R984-L986 PolarHBondContact O-N 3.18Å; R984-Q987 WeakPolarHBondContact O-CB 3.3Å; R984-Q987 PolarHBondContact O-N 3.44Å; R984-Q987 VanDerWaalsContact O-N 3.13Å; R984-E988 WeakPolarHBondContact O-CB 3.32Å; R984-E988 PolarHBondContact O-N 3.19Å |
| 985 | T | 87.5 | Confident | 89.6 | Confident | 72 Ų | 72 | 101.6 Ų | 101.6 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -35.8 | -179.1 | -50 | 0 | 0 | 0 | 0 | 112.2 | G981 K982 Q989 | G981-T985 PolarHBondContact O-N 2.93Å; G981-T985 PolarHBondContact O-OG1 3.3Å; K982-T985 PolarHBondContact O-N 2.99Å; T985-Q989 WeakPolarHBondContact O-CG 3.29Å; T985-Q989 PolarHBondContact O-N 3.44Å; T985-Q989 VanDerWaalsContact O-N 3.13Å |
| 986 | L | 88.3 | Confident | 89.2 | Confident | 107 Ų | 107 | 99.9 Ų | 99.9 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.8 | -39.6 | 174.3 | -71.8 | 169.9 | 0 | 0 | 0 | 112.4 | K982 I983 R984 Q989 L990 | K982-L986 WeakPolarHBondContact O-CG 3.37Å; K982-L986 PolarHBondContact O-N 3.04Å; K982-L986 VanDerWaalsContact O-N 3.15Å; I983-L986 PolarHBondContact O-N 3.15Å; R984-L986 VanDerWaalsContact C-N 3.27Å; R984-L986 PolarHBondContact O-N 3.18Å; L986-Q989 PolarHBondContact O-N 2.66Å; L986-L990 WeakPolarHBondContact O-CB 3.33Å; L986-L990 WeakPolarHBondContact O-CG 3.16Å; L986-L990 PolarHBondContact O-N 3.2Å |
| 987 | Q | 89.7 | Confident | 89 | Confident | 116 Ų | 116 | 102.7 Ų | 102.7 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 174.7 | -72.5 | 170.4 | -31.2 | 0 | 0 | 111.6 | I983 R984 Q989 L990 E991 | I983-Q987 WeakPolarHBondContact O-CG 3.42Å; I983-Q987 PolarHBondContact O-N 3.19Å; R984-Q987 WeakPolarHBondContact O-CB 3.3Å; R984-Q987 PolarHBondContact O-N 3.44Å; R984-Q987 VanDerWaalsContact O-N 3.13Å; Q987-Q989 PolarHBondContact O-N 2.86Å; Q987-L990 PolarHBondContact O-N 2.82Å; Q987-E991 PolarHBondContact O-N 3.36Å |
| 988 | E | 86 | Confident | 88.7 | Confident | 119 Ų | 119 | 101 Ų | 101 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -37.6 | 178.2 | -176.2 | 174.4 | -152.4 | 0 | 0 | 112.6 | R984 N992 | R984-E988 WeakPolarHBondContact O-CB 3.32Å; R984-E988 PolarHBondContact O-N 3.19Å; E988-N992 WeakPolarHBondContact O-CB 3.48Å; E988-N992 PolarHBondContact O-N 2.87Å; E988-N992 VanDerWaalsContact O-N 3.07Å; E988-N992 PolarHBondContact O-ND2 2.71Å |
| 989 | Q | 84.9 | Confident | 88.5 | Confident | 131 Ų | 131 | 97.8 Ų | 97.8 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.5 | -38.5 | 173.6 | -74.1 | -176.4 | 1.2 | 0 | 0 | 112.7 | T985 L986 Q987 E991 G993 | T985-Q989 WeakPolarHBondContact O-CG 3.29Å; T985-Q989 PolarHBondContact O-N 3.44Å; T985-Q989 VanDerWaalsContact O-N 3.13Å; L986-Q989 PolarHBondContact O-N 2.66Å; Q987-Q989 PolarHBondContact O-N 2.86Å; Q989-E991 VanDerWaalsContact C-N 3.34Å; Q989-G993 PolarHBondContact O-N 3.03Å; Q989-G993 VanDerWaalsContact O-N 3.08Å |
| 990 | L | 85.1 | Confident | 88.3 | Confident | 133 Ų | 133 | 100.9 Ų | 100.9 | 70% | 0.696 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -34 | 176.6 | -76.7 | 166.1 | 0 | 0 | 0 | 112.7 | L986 Q987 P994 | L986-L990 WeakPolarHBondContact O-CB 3.33Å; L986-L990 WeakPolarHBondContact O-CG 3.16Å; L986-L990 PolarHBondContact O-N 3.2Å; Q987-L990 PolarHBondContact O-N 2.82Å; L990-P994 WeakPolarHBondContact O-CD 3.46Å |
| 991 | E | 85.1 | Confident | 88.4 | Confident | 137 Ų | 137 | 100 Ų | 100 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -78.8 | -40.5 | 177.8 | -172.4 | 167.4 | -164.8 | 0 | 0 | 112.8 | Q987 Q989 N995 | Q987-E991 PolarHBondContact O-N 3.36Å; Q989-E991 VanDerWaalsContact C-N 3.34Å; E991-N995 PolarHBondContact O-ND2 3.05Å |
| 992 | N | 84.7 | Confident | 88.5 | Confident | 81 Ų | 81 | 104.4 Ų | 104.4 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -80.1 | -25.6 | -177.1 | -74.7 | -62.9 | 0 | 0 | 0 | 114.4 | E988 T996 | E988-N992 WeakPolarHBondContact O-CB 3.48Å; E988-N992 PolarHBondContact O-N 2.87Å; E988-N992 VanDerWaalsContact O-N 3.07Å; E988-N992 PolarHBondContact O-ND2 2.71Å; N992-T996 WeakPolarHBondContact O-CB 3.4Å; N992-T996 PolarHBondContact O-N 3.02Å; N992-T996 PolarHBondContact O-OG1 2.91Å |
| 993 | G | 84.4 | Confident | 88.4 | Confident | 34 Ų | 34 | 105.3 Ų | 105.3 | 35% | 0.351 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.3 | -56.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q989 N995 T996 Q997 | Q989-G993 PolarHBondContact O-N 3.03Å; Q989-G993 VanDerWaalsContact O-N 3.08Å; G993-N995 PolarHBondContact O-N 2.88Å; G993-T996 PolarHBondContact O-N 2.82Å; G993-Q997 PolarHBondContact O-N 2.63Å; G993-Q997 VanDerWaalsContact O-N 3.12Å |
| 994 | P | 89.1 | Confident | 88.4 | Confident | 79 Ų | 79 | 105.9 Ų | 105.9 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 179.1 | -25.1 | 35.2 | 0 | 0 | 0 | 113.1 | L990 T996 Q997 L998 | L990-P994 WeakPolarHBondContact O-CD 3.46Å; P994-T996 VanDerWaalsContact C-N 3.33Å; P994-T996 PolarHBondContact O-N 3.49Å; P994-Q997 PolarHBondContact O-N 3.17Å; P994-L998 WeakPolarHBondContact O-CB 3.27Å; P994-L998 PolarHBondContact O-N 2.93Å |
| 995 | N | 87.3 | Confident | 88.4 | Confident | 95 Ų | 95 | 101.5 Ų | 101.5 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 177.9 | -73.4 | -41 | 0 | 0 | 0 | 111.9 | E991 G993 L998 A999 | E991-N995 PolarHBondContact O-ND2 3.05Å; G993-N995 PolarHBondContact O-N 2.88Å; N995-L998 PolarHBondContact O-N 3.21Å; N995-A999 PolarHBondContact O-N 2.92Å |
| 996 | T | 84.8 | Confident | 88.8 | Confident | 67 Ų | 67 | 101.1 Ų | 101.1 | 41% | 0.411 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 176.4 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | N992 G993 P994 R1000 | N992-T996 WeakPolarHBondContact O-CB 3.4Å; N992-T996 PolarHBondContact O-N 3.02Å; N992-T996 PolarHBondContact O-OG1 2.91Å; G993-T996 PolarHBondContact O-N 2.82Å; P994-T996 VanDerWaalsContact C-N 3.33Å; P994-T996 PolarHBondContact O-N 3.49Å; T996-R1000 WeakPolarHBondContact O-CG 3.36Å; T996-R1000 PolarHBondContact O-N 3.28Å |
| 997 | Q | 88.2 | Confident | 89 | Confident | 132 Ų | 132 | 101 Ų | 101 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.9 | -42.9 | 174.9 | -72.5 | -174.6 | -11.8 | 0 | 0 | 112 | G993 P994 A999 R1000 L1001 | G993-Q997 PolarHBondContact O-N 2.63Å; G993-Q997 VanDerWaalsContact O-N 3.12Å; P994-Q997 PolarHBondContact O-N 3.17Å; Q997-A999 VanDerWaalsContact C-N 3.33Å; Q997-A999 PolarHBondContact O-N 2.81Å; Q997-R1000 PolarHBondContact O-N 3.42Å; Q997-L1001 WeakPolarHBondContact O-CG 3.41Å; Q997-L1001 PolarHBondContact O-N 2.87Å |
| 998 | L | 89.8 | Confident | 89.3 | Confident | 91 Ų | 91 | 101 Ų | 101 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 178.2 | -178.2 | 60.8 | 0 | 0 | 0 | 111.8 | P994 N995 R1000 L1001 Q1002 | P994-L998 WeakPolarHBondContact O-CB 3.27Å; P994-L998 PolarHBondContact O-N 2.93Å; N995-L998 PolarHBondContact O-N 3.21Å; L998-R1000 PolarHBondContact O-N 3.49Å; L998-L1001 PolarHBondContact O-N 3.5Å; L998-Q1002 WeakPolarHBondContact O-CG 3.47Å; L998-Q1002 PolarHBondContact O-N 3.45Å |
| 999 | A | 89.6 | Confident | 89.7 | Confident | 55 Ų | 55 | 103.2 Ų | 103.2 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N995 Q997 Q1002 Q1003 | N995-A999 PolarHBondContact O-N 2.92Å; Q997-A999 VanDerWaalsContact C-N 3.33Å; Q997-A999 PolarHBondContact O-N 2.81Å; A999-Q1002 PolarHBondContact O-N 3.03Å; A999-Q1003 PolarHBondContact O-N 3.34Å |
| 1000 | R | 89.7 | Confident | 90.1 | Very high | 153 Ų | 153 | 101.5 Ų | 101.5 | 58% | 0.577 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -47.7 | 175.6 | -66.9 | 178.8 | -164.5 | 180 | 4.8 | 111.6 | T996 Q997 L998 Q1002 Q1003 E1004 | T996-R1000 WeakPolarHBondContact O-CG 3.36Å; T996-R1000 PolarHBondContact O-N 3.28Å; Q997-R1000 PolarHBondContact O-N 3.42Å; L998-R1000 PolarHBondContact O-N 3.49Å; R1000-Q1002 VanDerWaalsContact C-N 3.26Å; R1000-Q1002 PolarHBondContact O-N 2.96Å; R1000-Q1003 WeakPolarHBondContact O-CB 3.39Å; R1000-Q1003 PolarHBondContact O-N 2.83Å; R1000-Q1003 VanDerWaalsContact O-N 3.09Å; R1000-E1004 WeakPolarHBondContact O-CG 3.34Å; R1000-E1004 PolarHBondContact O-N 3.19Å |
| 1001 | L | 92.9 | Very high | 90.6 | Very high | 90 Ų | 90 | 97.7 Ų | 97.7 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -33.6 | 178.7 | -70.5 | 169.8 | 0 | 0 | 0 | 112.3 | Q997 L998 N1005 | Q997-L1001 WeakPolarHBondContact O-CG 3.41Å; Q997-L1001 PolarHBondContact O-N 2.87Å; L998-L1001 PolarHBondContact O-N 3.5Å; L1001-N1005 WeakPolarHBondContact O-CB 3.47Å; L1001-N1005 PolarHBondContact O-N 3.17Å; L1001-N1005 PolarHBondContact O-ND2 3Å |
| 1002 | Q | 92.6 | Very high | 91.1 | Very high | 123 Ų | 123 | 96.4 Ų | 96.4 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.9 | -43.5 | 172.4 | -74.7 | 175.6 | -6.8 | 0 | 0 | 112.2 | L998 A999 R1000 N1005 S1006 | L998-Q1002 WeakPolarHBondContact O-CG 3.47Å; L998-Q1002 PolarHBondContact O-N 3.45Å; A999-Q1002 PolarHBondContact O-N 3.03Å; R1000-Q1002 VanDerWaalsContact C-N 3.26Å; R1000-Q1002 PolarHBondContact O-N 2.96Å; Q1002-N1005 PolarHBondContact O-N 3.45Å; Q1002-S1006 PolarHBondContact O-N 3.45Å |
| 1003 | Q | 93.5 | Very high | 91.6 | Very high | 130 Ų | 130 | 97.3 Ų | 97.3 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 176.1 | -173.8 | 178.7 | 3.8 | 0 | 0 | 111.9 | A999 R1000 N1005 S1006 I1007 | A999-Q1003 PolarHBondContact O-N 3.34Å; R1000-Q1003 WeakPolarHBondContact O-CB 3.39Å; R1000-Q1003 PolarHBondContact O-N 2.83Å; R1000-Q1003 VanDerWaalsContact O-N 3.09Å; Q1003-N1005 VanDerWaalsContact C-N 3.35Å; Q1003-N1005 PolarHBondContact O-N 2.66Å; Q1003-S1006 WeakPolarHBondContact O-CB 3.39Å; Q1003-S1006 PolarHBondContact O-N 2.94Å; Q1003-S1006 VanDerWaalsContact O-N 3.14Å; Q1003-I1007 HydrophobicContact CG-CD1 4.25Å; Q1003-I1007 WeakPolarHBondContact O-CG1 3.39Å; Q1003-I1007 PolarHBondContact O-N 2.74Å; Q1003-I1007 VanDerWaalsContact O-N 3.09Å |
| 1004 | E | 92.1 | Very high | 92 | Very high | 105 Ų | 105 | 102.7 Ų | 102.7 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 175.2 | -71.6 | 168.6 | -168.2 | 0 | 0 | 111.7 | R1000 S1006 I1007 L1008 | R1000-E1004 WeakPolarHBondContact O-CG 3.34Å; R1000-E1004 PolarHBondContact O-N 3.19Å; E1004-S1006 VanDerWaalsContact C-N 3.31Å; E1004-S1006 PolarHBondContact O-N 2.83Å; E1004-I1007 PolarHBondContact O-N 2.76Å; E1004-L1008 WeakPolarHBondContact O-CB 3.46Å; E1004-L1008 VanDerWaalsContact O-CG 3.3Å; E1004-L1008 WeakPolarHBondContact O-CG 3.41Å; E1004-L1008 PolarHBondContact O-N 2.8Å |
| 1005 | N | 92.2 | Very high | 92.3 | Very high | 81 Ų | 81 | 101.5 Ų | 101.5 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -32.3 | 174.7 | -91.1 | -93.6 | 0 | 0 | 0 | 113.4 | L1001 Q1002 Q1003 R1009 | L1001-N1005 WeakPolarHBondContact O-CB 3.47Å; L1001-N1005 PolarHBondContact O-N 3.17Å; L1001-N1005 PolarHBondContact O-ND2 3Å; Q1002-N1005 PolarHBondContact O-N 3.45Å; Q1003-N1005 VanDerWaalsContact C-N 3.35Å; Q1003-N1005 PolarHBondContact O-N 2.66Å; N1005-R1009 WeakPolarHBondContact O-CG 3.4Å; N1005-R1009 PolarHBondContact O-N 3.08Å; N1005-R1009 VanDerWaalsContact O-N 3.17Å |
| 1006 | S | 95.4 | Very high | 92.6 | Very high | 64 Ų | 64 | 99.8 Ų | 99.8 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -51.5 | 173.9 | -159.8 | 0 | 0 | 0 | 0 | 110.8 | Q1002 Q1003 E1004 L1008 R1009 D1010 | Q1002-S1006 PolarHBondContact O-N 3.45Å; Q1003-S1006 WeakPolarHBondContact O-CB 3.39Å; Q1003-S1006 PolarHBondContact O-N 2.94Å; Q1003-S1006 VanDerWaalsContact O-N 3.14Å; E1004-S1006 VanDerWaalsContact C-N 3.31Å; E1004-S1006 PolarHBondContact O-N 2.83Å; S1006-L1008 VanDerWaalsContact C-N 3.29Å; S1006-L1008 PolarHBondContact O-N 2.9Å; S1006-R1009 PolarHBondContact O-N 3.01Å; S1006-D1010 PolarHBondContact O-N 2.74Å |
| 1007 | I | 92.6 | Very high | 93 | Very high | 104 Ų | 104 | 99.9 Ų | 99.9 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | -179.5 | -64.2 | 165.8 | 0 | 0 | 0 | 110.9 | Q1003 E1004 D1010 A1011 | Q1003-I1007 HydrophobicContact CG-CD1 4.25Å; Q1003-I1007 WeakPolarHBondContact O-CG1 3.39Å; Q1003-I1007 PolarHBondContact O-N 2.74Å; Q1003-I1007 VanDerWaalsContact O-N 3.09Å; E1004-I1007 PolarHBondContact O-N 2.76Å; I1007-D1010 PolarHBondContact O-N 2.8Å; I1007-A1011 VanDerWaalsContact O-CB 3.27Å; I1007-A1011 WeakPolarHBondContact O-CB 3.48Å; I1007-A1011 PolarHBondContact O-N 3.05Å |
| 1008 | L | 95 | Very high | 93.2 | Very high | 118 Ų | 118 | 98.3 Ų | 98.3 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.9 | -36.8 | 176.5 | -71.7 | 171.3 | 0 | 0 | 0 | 113 | E1004 S1006 L1012 | E1004-L1008 WeakPolarHBondContact O-CB 3.46Å; E1004-L1008 VanDerWaalsContact O-CG 3.3Å; E1004-L1008 WeakPolarHBondContact O-CG 3.41Å; E1004-L1008 PolarHBondContact O-N 2.8Å; S1006-L1008 VanDerWaalsContact C-N 3.29Å; S1006-L1008 PolarHBondContact O-N 2.9Å; L1008-L1012 VanDerWaalsContact O-CB 3.23Å; L1008-L1012 WeakPolarHBondContact O-CB 3.39Å; L1008-L1012 PolarHBondContact O-N 2.87Å |
| 1009 | R | 94.7 | Very high | 93.4 | Very high | 165 Ų | 165 | 97.6 Ų | 97.6 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.3 | -43.3 | 175 | -77.1 | 175.2 | 179.4 | 167.4 | 2.2 | 112 | N1005 S1006 L1012 N1013 | N1005-R1009 WeakPolarHBondContact O-CG 3.4Å; N1005-R1009 PolarHBondContact O-N 3.08Å; N1005-R1009 VanDerWaalsContact O-N 3.17Å; S1006-R1009 PolarHBondContact O-N 3.01Å; R1009-L1012 PolarHBondContact O-N 2.97Å; R1009-N1013 WeakPolarHBondContact O-CB 3.38Å; R1009-N1013 PolarHBondContact O-N 3.19Å; R1009-N1013 PolarHBondContact O-ND2 2.59Å |
| 1010 | D | 94.4 | Very high | 93.5 | Very high | 94 Ų | 94 | 100.5 Ų | 100.5 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 179.6 | -65.7 | -36.2 | 0 | 0 | 0 | 111.3 | S1006 I1007 N1013 Q1014 | S1006-D1010 PolarHBondContact O-N 2.74Å; I1007-D1010 PolarHBondContact O-N 2.8Å; D1010-N1013 PolarHBondContact O-N 3.06Å; D1010-Q1014 VanDerWaalsContact O-CB 3.27Å; D1010-Q1014 WeakPolarHBondContact O-CB 3.43Å; D1010-Q1014 PolarHBondContact O-N 2.84Å |
| 1011 | A | 95.3 | Very high | 93.6 | Very high | 54 Ų | 54 | 96.1 Ų | 96.1 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1007 Q1014 A1015 | I1007-A1011 VanDerWaalsContact O-CB 3.27Å; I1007-A1011 WeakPolarHBondContact O-CB 3.48Å; I1007-A1011 PolarHBondContact O-N 3.05Å; A1011-Q1014 PolarHBondContact O-N 2.93Å; A1011-A1015 VanDerWaalsContact O-CB 3.29Å; A1011-A1015 WeakPolarHBondContact O-CB 3.39Å; A1011-A1015 PolarHBondContact O-N 2.88Å |
| 1012 | L | 95.3 | Very high | 93.7 | Very high | 110 Ų | 110 | 97.1 Ų | 97.1 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -45.1 | 176.4 | 179.6 | 63 | 0 | 0 | 0 | 111.9 | L1008 R1009 A1015 T1016 | L1008-L1012 VanDerWaalsContact O-CB 3.23Å; L1008-L1012 WeakPolarHBondContact O-CB 3.39Å; L1008-L1012 PolarHBondContact O-N 2.87Å; R1009-L1012 PolarHBondContact O-N 2.97Å; L1012-A1015 PolarHBondContact O-N 3.05Å; L1012-T1016 WeakPolarHBondContact O-CB 3.48Å; L1012-T1016 PolarHBondContact O-N 3.02Å; L1012-T1016 PolarHBondContact O-OG1 3.49Å |
| 1013 | N | 94 | Very high | 93.7 | Very high | 99 Ų | 99 | 96.8 Ų | 96.8 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 177 | -72.6 | -24.8 | 0 | 0 | 0 | 111.3 | R1009 D1010 T1016 S1017 | R1009-N1013 WeakPolarHBondContact O-CB 3.38Å; R1009-N1013 PolarHBondContact O-N 3.19Å; R1009-N1013 PolarHBondContact O-ND2 2.59Å; D1010-N1013 PolarHBondContact O-N 3.06Å; N1013-T1016 PolarHBondContact O-N 2.66Å; N1013-S1017 WeakPolarHBondContact O-CB 3.46Å; N1013-S1017 PolarHBondContact O-N 3.45Å |
| 1014 | Q | 93.8 | Very high | 93.7 | Very high | 147 Ų | 147 | 95.6 Ų | 95.6 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -41.4 | 179 | -168.7 | 178.3 | 103 | 0 | 0 | 111.8 | D1010 A1011 Q1018 | D1010-Q1014 VanDerWaalsContact O-CB 3.27Å; D1010-Q1014 WeakPolarHBondContact O-CB 3.43Å; D1010-Q1014 PolarHBondContact O-N 2.84Å; A1011-Q1014 PolarHBondContact O-N 2.93Å; Q1014-Q1018 WeakPolarHBondContact O-CB 3.46Å; Q1014-Q1018 PolarHBondContact O-N 3.14Å |
| 1015 | A | 94.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 94.4 Ų | 94.4 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1011 L1012 Q1018 V1019 | A1011-A1015 VanDerWaalsContact O-CB 3.29Å; A1011-A1015 WeakPolarHBondContact O-CB 3.39Å; A1011-A1015 PolarHBondContact O-N 2.88Å; L1012-A1015 PolarHBondContact O-N 3.05Å; A1015-Q1018 PolarHBondContact O-N 2.77Å; A1015-V1019 WeakPolarHBondContact O-CG2 3.33Å; A1015-V1019 PolarHBondContact O-N 2.89Å |
| 1016 | T | 93.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 96.1 Ų | 96.1 | 36% | 0.362 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 178.4 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | L1012 N1013 Q1018 V1019 E1020 | L1012-T1016 WeakPolarHBondContact O-CB 3.48Å; L1012-T1016 PolarHBondContact O-N 3.02Å; L1012-T1016 PolarHBondContact O-OG1 3.49Å; N1013-T1016 PolarHBondContact O-N 2.66Å; T1016-Q1018 VanDerWaalsContact C-N 3.27Å; T1016-Q1018 PolarHBondContact O-N 3.2Å; T1016-V1019 PolarHBondContact O-N 2.75Å; T1016-E1020 HydrophobicContact CG2-CG 4.4Å; T1016-E1020 WeakPolarHBondContact O-CG 3.29Å; T1016-E1020 PolarHBondContact O-N 2.86Å |
| 1017 | S | 93.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 96.8 Ų | 96.8 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -35.5 | 177.8 | -173.1 | 0 | 0 | 0 | 0 | 112.7 | N1013 S1021 | N1013-S1017 WeakPolarHBondContact O-CB 3.46Å; N1013-S1017 PolarHBondContact O-N 3.45Å; S1017-S1021 WeakPolarHBondContact O-CB 3.47Å; S1017-S1021 PolarHBondContact O-N 3.22Å; S1017-S1021 PolarHBondContact O-OG 3.46Å |
| 1018 | Q | 92.7 | Very high | 93.8 | Very high | 100 Ų | 100 | 94.3 Ų | 94.3 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.4 | -33 | 174.8 | -157.5 | -166.6 | 103.4 | 0 | 0 | 112.7 | Q1014 A1015 T1016 S1021 K1022 | Q1014-Q1018 WeakPolarHBondContact O-CB 3.46Å; Q1014-Q1018 PolarHBondContact O-N 3.14Å; A1015-Q1018 PolarHBondContact O-N 2.77Å; T1016-Q1018 VanDerWaalsContact C-N 3.27Å; T1016-Q1018 PolarHBondContact O-N 3.2Å; Q1018-S1021 WeakPolarHBondContact CA-OG 3.01Å; Q1018-S1021 PolarHBondContact O-OG 2.69Å; Q1018-K1022 WeakPolarHBondContact O-CB 3.38Å; Q1018-K1022 WeakPolarHBondContact O-CD 3.29Å; Q1018-K1022 WeakPolarHBondContact O-CG 3.42Å; Q1018-K1022 PolarHBondContact O-N 3.32Å |
| 1019 | V | 94.4 | Very high | 93.8 | Very high | 76 Ų | 76 | 94.5 Ų | 94.5 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71 | -47.5 | 173.4 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | A1015 T1016 S1021 K1022 Q1023 | A1015-V1019 WeakPolarHBondContact O-CG2 3.33Å; A1015-V1019 PolarHBondContact O-N 2.89Å; T1016-V1019 PolarHBondContact O-N 2.75Å; V1019-S1021 PolarHBondContact O-N 3.48Å; V1019-K1022 PolarHBondContact O-N 3.39Å; V1019-Q1023 HydrophobicContact CG1-CG 4.37Å; V1019-Q1023 WeakPolarHBondContact O-CB 3.44Å; V1019-Q1023 WeakPolarHBondContact O-CG 3.46Å; V1019-Q1023 PolarHBondContact O-N 3.07Å |
| 1020 | E | 91.9 | Very high | 93.8 | Very high | 116 Ų | 116 | 91.6 Ų | 91.6 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 179.7 | -70.6 | 176.6 | 159.5 | 0 | 0 | 112.3 | T1016 Q1023 N1024 | T1016-E1020 HydrophobicContact CG2-CG 4.4Å; T1016-E1020 WeakPolarHBondContact O-CG 3.29Å; T1016-E1020 PolarHBondContact O-N 2.86Å; E1020-Q1023 PolarHBondContact O-N 2.74Å; E1020-N1024 VanDerWaalsContact O-CB 3.3Å; E1020-N1024 WeakPolarHBondContact O-CB 3.35Å; E1020-N1024 PolarHBondContact O-N 2.98Å |
| 1021 | S | 91.7 | Very high | 93.8 | Very high | 61 Ų | 61 | 94.9 Ų | 94.9 | 43% | 0.427 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 177.6 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | S1017 Q1018 V1019 T1025 | S1017-S1021 WeakPolarHBondContact O-CB 3.47Å; S1017-S1021 PolarHBondContact O-N 3.22Å; S1017-S1021 PolarHBondContact O-OG 3.46Å; Q1018-S1021 WeakPolarHBondContact CA-OG 3.01Å; Q1018-S1021 PolarHBondContact O-OG 2.69Å; V1019-S1021 PolarHBondContact O-N 3.48Å; S1021-T1025 WeakPolarHBondContact O-CB 3.28Å; S1021-T1025 PolarHBondContact O-N 3.34Å; S1021-T1025 VanDerWaalsContact O-N 3.09Å; S1021-T1025 PolarHBondContact O-OG1 2.85Å |
| 1022 | K | 93.5 | Very high | 93.7 | Very high | 110 Ų | 110 | 98.8 Ų | 98.8 | 48% | 0.478 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -52.5 | 170.3 | -76.3 | 168.9 | 176.8 | 171.1 | 0 | 111.2 | Q1018 V1019 N1024 T1025 E1026 | Q1018-K1022 WeakPolarHBondContact O-CB 3.38Å; Q1018-K1022 WeakPolarHBondContact O-CD 3.29Å; Q1018-K1022 WeakPolarHBondContact O-CG 3.42Å; Q1018-K1022 PolarHBondContact O-N 3.32Å; V1019-K1022 PolarHBondContact O-N 3.39Å; K1022-N1024 PolarHBondContact O-N 3.44Å; K1022-T1025 WeakPolarHBondContact O-CB 3.07Å; K1022-T1025 PolarHBondContact O-N 3.22Å; K1022-T1025 VanDerWaalsContact O-N 3.13Å; K1022-E1026 PolarHBondContact O-N 3.16Å |
| 1023 | Q | 94.3 | Very high | 93.7 | Very high | 116 Ų | 116 | 99.1 Ų | 99.1 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 178.8 | -74.7 | 179.6 | -6.8 | 0 | 0 | 112.1 | V1019 E1020 T1025 E1026 L1027 | V1019-Q1023 HydrophobicContact CG1-CG 4.37Å; V1019-Q1023 WeakPolarHBondContact O-CB 3.44Å; V1019-Q1023 WeakPolarHBondContact O-CG 3.46Å; V1019-Q1023 PolarHBondContact O-N 3.07Å; E1020-Q1023 PolarHBondContact O-N 2.74Å; Q1023-T1025 VanDerWaalsContact C-N 3.31Å; Q1023-T1025 PolarHBondContact O-N 2.92Å; Q1023-E1026 PolarHBondContact O-N 3.03Å; Q1023-L1027 VanDerWaalsContact O-CB 3.22Å; Q1023-L1027 WeakPolarHBondContact O-CB 3.34Å; Q1023-L1027 PolarHBondContact O-N 3.22Å |
| 1024 | N | 93.4 | Very high | 93.7 | Very high | 105 Ų | 105 | 100.2 Ų | 100.2 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.1 | -34 | 179 | -164.4 | 25.6 | 0 | 0 | 0 | 112 | E1020 K1022 A1028 | E1020-N1024 VanDerWaalsContact O-CB 3.3Å; E1020-N1024 WeakPolarHBondContact O-CB 3.35Å; E1020-N1024 PolarHBondContact O-N 2.98Å; K1022-N1024 PolarHBondContact O-N 3.44Å; N1024-A1028 WeakPolarHBondContact O-CB 3.45Å; N1024-A1028 PolarHBondContact O-N 3.09Å |
| 1025 | T | 92.4 | Very high | 93.7 | Very high | 81 Ų | 81 | 96.8 Ų | 96.8 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 173.8 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | S1021 K1022 Q1023 K1029 | S1021-T1025 WeakPolarHBondContact O-CB 3.28Å; S1021-T1025 PolarHBondContact O-N 3.34Å; S1021-T1025 VanDerWaalsContact O-N 3.09Å; S1021-T1025 PolarHBondContact O-OG1 2.85Å; K1022-T1025 WeakPolarHBondContact O-CB 3.07Å; K1022-T1025 PolarHBondContact O-N 3.22Å; K1022-T1025 VanDerWaalsContact O-N 3.13Å; Q1023-T1025 VanDerWaalsContact C-N 3.31Å; Q1023-T1025 PolarHBondContact O-N 2.92Å; T1025-K1029 WeakPolarHBondContact O-CG 3.44Å; T1025-K1029 PolarHBondContact O-N 2.97Å; T1025-K1029 VanDerWaalsContact O-N 3.1Å |
| 1026 | E | 93.5 | Very high | 93.7 | Very high | 117 Ų | 117 | 100.5 Ų | 100.5 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 175.3 | -70.6 | 174.5 | 178.6 | 0 | 0 | 111.7 | K1022 Q1023 A1028 K1029 L1030 | K1022-E1026 PolarHBondContact O-N 3.16Å; Q1023-E1026 PolarHBondContact O-N 3.03Å; E1026-A1028 VanDerWaalsContact C-N 3.31Å; E1026-A1028 PolarHBondContact O-N 3.33Å; E1026-K1029 WeakPolarHBondContact O-CB 3.44Å; E1026-K1029 PolarHBondContact O-N 3.03Å; E1026-K1029 VanDerWaalsContact O-N 3.15Å; E1026-L1030 WeakPolarHBondContact O-CG 3.28Å; E1026-L1030 PolarHBondContact O-N 2.67Å |
| 1027 | L | 94.6 | Very high | 93.7 | Very high | 77 Ų | 77 | 101.9 Ų | 101.9 | 40% | 0.403 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -33.8 | 178.6 | -156.6 | 159 | 0 | 0 | 0 | 111.4 | Q1023 R1031 | Q1023-L1027 VanDerWaalsContact O-CB 3.22Å; Q1023-L1027 WeakPolarHBondContact O-CB 3.34Å; Q1023-L1027 PolarHBondContact O-N 3.22Å; L1027-R1031 HydrophobicContact CD2-CG 4.28Å; L1027-R1031 VanDerWaalsContact CD2-NE 3.32Å; L1027-R1031 WeakPolarHBondContact O-CB 3.48Å; L1027-R1031 VanDerWaalsContact O-CG 3.31Å; L1027-R1031 WeakPolarHBondContact O-CG 3.49Å; L1027-R1031 PolarHBondContact O-N 2.93Å |
| 1028 | A | 93.6 | Very high | 93.7 | Very high | 52 Ų | 52 | 103.4 Ų | 103.4 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1024 E1026 R1031 Q1032 | N1024-A1028 WeakPolarHBondContact O-CB 3.45Å; N1024-A1028 PolarHBondContact O-N 3.09Å; E1026-A1028 VanDerWaalsContact C-N 3.31Å; E1026-A1028 PolarHBondContact O-N 3.33Å; A1028-R1031 PolarHBondContact O-N 3.25Å; A1028-Q1032 PolarHBondContact O-N 3.49Å |
| 1029 | K | 94.6 | Very high | 93.9 | Very high | 123 Ų | 123 | 105 Ų | 105 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 174.2 | -73 | 176 | 179.9 | 177.9 | 0 | 111.8 | T1025 E1026 R1031 Q1032 E1033 | T1025-K1029 WeakPolarHBondContact O-CG 3.44Å; T1025-K1029 PolarHBondContact O-N 2.97Å; T1025-K1029 VanDerWaalsContact O-N 3.1Å; E1026-K1029 WeakPolarHBondContact O-CB 3.44Å; E1026-K1029 PolarHBondContact O-N 3.03Å; E1026-K1029 VanDerWaalsContact O-N 3.15Å; K1029-R1031 VanDerWaalsContact C-N 3.33Å; K1029-R1031 PolarHBondContact O-N 2.59Å; K1029-Q1032 WeakPolarHBondContact O-CA 3.46Å; K1029-Q1032 WeakPolarHBondContact O-CB 3.42Å; K1029-Q1032 PolarHBondContact O-N 3.23Å; K1029-E1033 PolarHBondContact O-N 2.98Å |
| 1030 | L | 95 | Very high | 93.9 | Very high | 103 Ų | 103 | 105.1 Ų | 105.1 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 178 | -70.9 | 170 | 0 | 0 | 0 | 112.2 | E1026 E1033 L1034 | E1026-L1030 WeakPolarHBondContact O-CG 3.28Å; E1026-L1030 PolarHBondContact O-N 2.67Å; L1030-E1033 PolarHBondContact O-N 3.17Å; L1030-L1034 WeakPolarHBondContact O-CB 3.44Å; L1030-L1034 VanDerWaalsContact O-CG 3.29Å; L1030-L1034 WeakPolarHBondContact O-CG 3.46Å; L1030-L1034 PolarHBondContact O-N 2.82Å |
| 1031 | R | 93.8 | Very high | 93.9 | Very high | 163 Ų | 163 | 103.7 Ų | 103.7 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 171.8 | -77 | 171.3 | 173 | 159 | 0.5 | 112.1 | L1027 A1028 K1029 S1035 | L1027-R1031 HydrophobicContact CD2-CG 4.28Å; L1027-R1031 VanDerWaalsContact CD2-NE 3.32Å; L1027-R1031 WeakPolarHBondContact O-CB 3.48Å; L1027-R1031 VanDerWaalsContact O-CG 3.31Å; L1027-R1031 WeakPolarHBondContact O-CG 3.49Å; L1027-R1031 PolarHBondContact O-N 2.93Å; A1028-R1031 PolarHBondContact O-N 3.25Å; K1029-R1031 VanDerWaalsContact C-N 3.33Å; K1029-R1031 PolarHBondContact O-N 2.59Å; R1031-S1035 PolarHBondContact O-N 3.31Å |
| 1032 | Q | 93.7 | Very high | 94.1 | Very high | 136 Ų | 136 | 104 Ų | 104 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 176.1 | -170.3 | -179.1 | 13.8 | 0 | 0 | 111.5 | A1028 K1029 S1035 K1036 | A1028-Q1032 PolarHBondContact O-N 3.49Å; K1029-Q1032 WeakPolarHBondContact O-CA 3.46Å; K1029-Q1032 WeakPolarHBondContact O-CB 3.42Å; K1029-Q1032 PolarHBondContact O-N 3.23Å; Q1032-S1035 WeakPolarHBondContact O-CB 3.42Å; Q1032-S1035 PolarHBondContact O-N 2.91Å; Q1032-S1035 PolarHBondContact O-OG 2.94Å; Q1032-K1036 PolarHBondContact O-N 3.46Å |
| 1033 | E | 94.1 | Very high | 94.2 | Very high | 118 Ų | 118 | 103.7 Ų | 103.7 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.9 | -43.5 | 177.2 | -72.1 | -176.3 | 170.4 | 0 | 0 | 111.9 | K1029 L1030 S1035 K1036 V1037 | K1029-E1033 PolarHBondContact O-N 2.98Å; L1030-E1033 PolarHBondContact O-N 3.17Å; E1033-S1035 VanDerWaalsContact C-N 3.3Å; E1033-S1035 PolarHBondContact O-N 2.97Å; E1033-K1036 PolarHBondContact O-N 2.99Å; E1033-K1036 VanDerWaalsContact O-N 3.12Å; E1033-V1037 WeakPolarHBondContact O-CB 2.96Å; E1033-V1037 WeakPolarHBondContact O-CG2 3.11Å; E1033-V1037 PolarHBondContact O-N 2.77Å |
| 1034 | L | 94.2 | Very high | 94.2 | Very high | 122 Ų | 122 | 102.8 Ų | 102.8 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.3 | -41.5 | 172 | -76.5 | 169.7 | 0 | 0 | 0 | 112 | L1030 K1036 N1038 | L1030-L1034 WeakPolarHBondContact O-CB 3.44Å; L1030-L1034 VanDerWaalsContact O-CG 3.29Å; L1030-L1034 WeakPolarHBondContact O-CG 3.46Å; L1030-L1034 PolarHBondContact O-N 2.82Å; L1034-K1036 VanDerWaalsContact C-N 3.34Å; L1034-K1036 PolarHBondContact O-N 3Å; L1034-N1038 VanDerWaalsContact O-CB 3.23Å; L1034-N1038 WeakPolarHBondContact O-CB 3.42Å; L1034-N1038 PolarHBondContact O-N 2.79Å |
| 1035 | S | 94 | Very high | 94.1 | Very high | 75 Ų | 75 | 100.7 Ų | 100.7 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 176 | 83 | 0 | 0 | 0 | 0 | 112.4 | R1031 Q1032 E1033 K1039 | R1031-S1035 PolarHBondContact O-N 3.31Å; Q1032-S1035 WeakPolarHBondContact O-CB 3.42Å; Q1032-S1035 PolarHBondContact O-N 2.91Å; Q1032-S1035 PolarHBondContact O-OG 2.94Å; E1033-S1035 VanDerWaalsContact C-N 3.3Å; E1033-S1035 PolarHBondContact O-N 2.97Å; S1035-K1039 WeakPolarHBondContact O-CB 3.44Å; S1035-K1039 PolarHBondContact O-N 3Å |
| 1036 | K | 95.1 | Very high | 94.1 | Very high | 132 Ų | 132 | 102.9 Ų | 102.9 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.5 | -48.5 | 178.9 | -175 | -173.2 | 174.9 | -166.1 | 0 | 111.4 | Q1032 E1033 L1034 N1038 K1039 E1040 | Q1032-K1036 PolarHBondContact O-N 3.46Å; E1033-K1036 PolarHBondContact O-N 2.99Å; E1033-K1036 VanDerWaalsContact O-N 3.12Å; L1034-K1036 VanDerWaalsContact C-N 3.34Å; L1034-K1036 PolarHBondContact O-N 3Å; K1036-N1038 VanDerWaalsContact C-N 3.3Å; K1036-N1038 PolarHBondContact O-N 2.97Å; K1036-K1039 WeakPolarHBondContact O-CB 3.28Å; K1036-K1039 PolarHBondContact O-N 3.13Å; K1036-K1039 VanDerWaalsContact O-N 3.17Å; K1036-E1040 WeakPolarHBondContact CE-OE1 3.47Å; K1036-E1040 WeakPolarHBondContact O-CG 2.84Å; K1036-E1040 PolarHBondContact O-N 3.42Å |
| 1037 | V | 93.9 | Very high | 94.2 | Very high | 88 Ų | 88 | 98.5 Ų | 98.5 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | E1033 E1040 L1041 | E1033-V1037 WeakPolarHBondContact O-CB 2.96Å; E1033-V1037 WeakPolarHBondContact O-CG2 3.11Å; E1033-V1037 PolarHBondContact O-N 2.77Å; V1037-E1040 CarbonylContact O-C 3.44Å; V1037-E1040 PolarHBondContact O-N 3.22Å; V1037-L1041 WeakPolarHBondContact O-CB 2.87Å; V1037-L1041 PolarHBondContact O-N 3.18Å |
| 1038 | N | 94.2 | Very high | 94 | Very high | 100 Ų | 100 | 96.7 Ų | 96.7 | 54% | 0.535 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 174.2 | -169.6 | 42.3 | 0 | 0 | 0 | 111.9 | L1034 K1036 L1041 V1042 | L1034-N1038 VanDerWaalsContact O-CB 3.23Å; L1034-N1038 WeakPolarHBondContact O-CB 3.42Å; L1034-N1038 PolarHBondContact O-N 2.79Å; K1036-N1038 VanDerWaalsContact C-N 3.3Å; K1036-N1038 PolarHBondContact O-N 2.97Å; N1038-L1041 WeakPolarHBondContact O-CB 3.17Å; N1038-L1041 PolarHBondContact O-N 2.83Å; N1038-L1041 VanDerWaalsContact O-N 3.15Å; N1038-V1042 WeakPolarHBondContact O-CG2 3.18Å; N1038-V1042 PolarHBondContact O-N 2.86Å |
| 1039 | K | 95.7 | Very high | 93.9 | Very high | 133 Ų | 133 | 102.1 Ų | 102.1 | 58% | 0.578 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61 | -46.1 | 172 | -179.3 | 173 | 171.1 | 176.5 | 0 | 111.5 | S1035 K1036 L1041 V1042 E1043 | S1035-K1039 WeakPolarHBondContact O-CB 3.44Å; S1035-K1039 PolarHBondContact O-N 3Å; K1036-K1039 WeakPolarHBondContact O-CB 3.28Å; K1036-K1039 PolarHBondContact O-N 3.13Å; K1036-K1039 VanDerWaalsContact O-N 3.17Å; K1039-L1041 PolarHBondContact O-N 2.88Å; K1039-V1042 PolarHBondContact O-N 2.91Å; K1039-E1043 WeakPolarHBondContact CE-OE1 3.19Å; K1039-E1043 HydrophobicContact CG-CG 4.39Å; K1039-E1043 IonicContact NZ-OE1 3.46Å; K1039-E1043 VanDerWaalsContact O-CB 3.31Å; K1039-E1043 WeakPolarHBondContact O-CB 3.09Å; K1039-E1043 WeakPolarHBondContact O-CG 3.39Å; K1039-E1043 PolarHBondContact O-N 3.1Å |
| 1040 | E | 93.8 | Very high | 93.8 | Very high | 80 Ų | 80 | 99.9 Ų | 99.9 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -21.2 | 174.2 | -70 | -179.9 | -150.1 | 0 | 0 | 113.5 | K1036 V1037 K1044 | K1036-E1040 WeakPolarHBondContact CE-OE1 3.47Å; K1036-E1040 WeakPolarHBondContact O-CG 2.84Å; K1036-E1040 PolarHBondContact O-N 3.42Å; V1037-E1040 CarbonylContact O-C 3.44Å; V1037-E1040 PolarHBondContact O-N 3.22Å; E1040-K1044 VanDerWaalsContact O-CB 3.22Å; E1040-K1044 WeakPolarHBondContact O-CB 3.33Å; E1040-K1044 WeakPolarHBondContact O-CG 3.44Å; E1040-K1044 PolarHBondContact O-N 2.75Å |
| 1041 | L | 93.8 | Very high | 93.5 | Very high | 86 Ų | 86 | 97.8 Ų | 97.8 | 45% | 0.45 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -77.4 | -48.6 | 171.6 | -179.1 | 61.7 | 0 | 0 | 0 | 111.4 | K148 V1037 N1038 K1039 K1044 S1045 | K148-L1041 HydrophobicContact CD-CD1 4.32Å; V1037-L1041 WeakPolarHBondContact O-CB 2.87Å; V1037-L1041 PolarHBondContact O-N 3.18Å; N1038-L1041 WeakPolarHBondContact O-CB 3.17Å; N1038-L1041 PolarHBondContact O-N 2.83Å; N1038-L1041 VanDerWaalsContact O-N 3.15Å; K1039-L1041 PolarHBondContact O-N 2.88Å; L1041-K1044 CarbonylContact O-C 3.39Å; L1041-K1044 PolarHBondContact O-N 2.81Å; L1041-S1045 WeakPolarHBondContact O-CB 3.43Å; L1041-S1045 PolarHBondContact O-N 3.12Å; L1041-S1045 PolarHBondContact O-OG 2.76Å |
| 1042 | V | 95.5 | Very high | 93.3 | Very high | 68 Ų | 68 | 93.3 Ų | 93.3 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.6 | -51.9 | 172.8 | 174.7 | 0 | 0 | 0 | 0 | 109.5 | N1038 K1039 K1044 S1045 E1046 | N1038-V1042 WeakPolarHBondContact O-CG2 3.18Å; N1038-V1042 PolarHBondContact O-N 2.86Å; K1039-V1042 PolarHBondContact O-N 2.91Å; V1042-K1044 PolarHBondContact O-N 2.97Å; V1042-S1045 CarbonylContact O-C 3.57Å; V1042-S1045 WeakPolarHBondContact O-CA 3.38Å; V1042-S1045 PolarHBondContact O-N 2.84Å; V1042-S1045 PolarHBondContact O-OG 2.77Å; V1042-E1046 PolarHBondContact O-N 3.47Å |
| 1043 | E | 94.5 | Very high | 93.3 | Very high | 103 Ų | 103 | 90.9 Ų | 90.9 | 48% | 0.481 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 177.4 | -75.4 | -179.3 | -172.1 | 0 | 0 | 112.3 | K1039 S1045 A1047 | K1039-E1043 WeakPolarHBondContact CE-OE1 3.19Å; K1039-E1043 HydrophobicContact CG-CG 4.39Å; K1039-E1043 IonicContact NZ-OE1 3.46Å; K1039-E1043 VanDerWaalsContact O-CB 3.31Å; K1039-E1043 WeakPolarHBondContact O-CB 3.09Å; K1039-E1043 WeakPolarHBondContact O-CG 3.39Å; K1039-E1043 PolarHBondContact O-N 3.1Å; E1043-S1045 VanDerWaalsContact C-N 3.27Å; E1043-S1045 PolarHBondContact O-N 3.49Å; E1043-A1047 VanDerWaalsContact O-CA 3.27Å; E1043-A1047 WeakPolarHBondContact O-CA 3.46Å; E1043-A1047 WeakPolarHBondContact O-CB 3.37Å; E1043-A1047 PolarHBondContact O-N 2.84Å |
| 1044 | K | 94 | Very high | 93.2 | Very high | 96 Ų | 96 | 89.2 Ų | 89.2 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -75.5 | -6.5 | 172.5 | -72 | -177.7 | 176 | 174 | 0 | 114.4 | K148 E1040 L1041 V1042 A1047 S1048 | K148-K1044 HydrophobicContact CD-CB 3.89Å; K148-K1044 HydrophobicContact CD-CD 4.17Å; E1040-K1044 VanDerWaalsContact O-CB 3.22Å; E1040-K1044 WeakPolarHBondContact O-CB 3.33Å; E1040-K1044 WeakPolarHBondContact O-CG 3.44Å; E1040-K1044 PolarHBondContact O-N 2.75Å; L1041-K1044 CarbonylContact O-C 3.39Å; L1041-K1044 PolarHBondContact O-N 2.81Å; V1042-K1044 PolarHBondContact O-N 2.97Å; K1044-A1047 CarbonylContact O-C 3.51Å; K1044-A1047 VanDerWaalsContact O-C 3.25Å; K1044-S1048 PolarHBondContact O-N 2.86Å |
| 1045 | S | 91.2 | Very high | 93 | Very high | 61 Ų | 61 | 90.9 Ų | 90.9 | 43% | 0.427 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -99.9 | -35.4 | 174.5 | 76.8 | 0 | 0 | 0 | 0 | 112.8 | L1041 V1042 E1043 A1047 S1048 R1049 | L1041-S1045 WeakPolarHBondContact O-CB 3.43Å; L1041-S1045 PolarHBondContact O-N 3.12Å; L1041-S1045 PolarHBondContact O-OG 2.76Å; V1042-S1045 CarbonylContact O-C 3.57Å; V1042-S1045 WeakPolarHBondContact O-CA 3.38Å; V1042-S1045 PolarHBondContact O-N 2.84Å; V1042-S1045 PolarHBondContact O-OG 2.77Å; E1043-S1045 VanDerWaalsContact C-N 3.27Å; E1043-S1045 PolarHBondContact O-N 3.49Å; S1045-A1047 VanDerWaalsContact C-N 3.31Å; S1045-S1048 CarbonylContact O-C 3.58Å; S1045-S1048 WeakPolarHBondContact O-CA 3.32Å; S1045-S1048 WeakPolarHBondContact O-CB 3.38Å; S1045-S1048 PolarHBondContact O-N 2.82Å; S1045-R1049 PolarHBondContact O-N 2.89Å |
| 1046 | E | 94.3 | Very high | 93 | Very high | 127 Ų | 127 | 92.6 Ų | 92.6 | 59% | 0.593 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.1 | -34.5 | 160.1 | -71.5 | -161.2 | -172.1 | 0 | 0 | 111 | V1042 S1048 R1049 Q1050 | V1042-E1046 PolarHBondContact O-N 3.47Å; E1046-S1048 PolarHBondContact O-N 2.89Å; E1046-R1049 VanDerWaalsContact C-N 3.34Å; E1046-R1049 CarbonylContact O-C 3.58Å; E1046-R1049 WeakPolarHBondContact O-CA 3.36Å; E1046-R1049 PolarHBondContact O-N 2.96Å; E1046-Q1050 WeakPolarHBondContact O-CG 3.49Å; E1046-Q1050 PolarHBondContact O-N 2.83Å |
| 1047 | A | 94.2 | Very high | 92.8 | Very high | 25 Ų | 25 | 87.7 Ų | 87.7 | 21% | 0.207 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 21 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K145 V146 E1043 K1044 S1045 | K145-A1047 VanDerWaalsContact CB-C 3.41Å; K145-A1047 WeakPolarHBondContact CB-O 3.22Å; K145-A1047 HydrophobicContact CD-CB 3.68Å; K145-A1047 WeakPolarHBondContact CD-O 3.31Å; K145-A1047 WeakPolarHBondContact CG-O 3.5Å; V146-A1047 CarbonylContact O-C 3.55Å; E1043-A1047 VanDerWaalsContact O-CA 3.27Å; E1043-A1047 WeakPolarHBondContact O-CA 3.46Å; E1043-A1047 WeakPolarHBondContact O-CB 3.37Å; E1043-A1047 PolarHBondContact O-N 2.84Å; K1044-A1047 CarbonylContact O-C 3.51Å; K1044-A1047 VanDerWaalsContact O-C 3.25Å; S1045-A1047 VanDerWaalsContact C-N 3.31Å |
| 1048 | S | 90.5 | Very high | 92.8 | Very high | 40 Ų | 40 | 88.4 Ų | 88.4 | 28% | 0.28 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 4.5 | 144.6 | -162.2 | 0 | 0 | 0 | 0 | 112.4 | K145 V146 A147 K1044 S1045 E1046 | K145-S1048 CarbonylContact C-O 3.56Å; K145-S1048 PolarHBondContact N-O 2.85Å; K145-S1048 CarbonylContact O-C 3.6Å; K145-S1048 WeakPolarHBondContact O-CA 3.32Å; K145-S1048 PolarHBondContact O-OG 3.27Å; V146-S1048 WeakPolarHBondContact O-CA 3.25Å; V146-S1048 VanDerWaalsContact O-CB 3.27Å; V146-S1048 WeakPolarHBondContact O-CB 3.43Å; V146-S1048 PolarHBondContact O-N 2.91Å; V146-S1048 PolarHBondContact O-OG 2.9Å; A147-S1048 VanDerWaalsContact CB-CB 3.45Å; A147-S1048 WeakPolarHBondContact CB-OG 3.36Å; K1044-S1048 PolarHBondContact O-N 2.86Å; S1045-S1048 CarbonylContact O-C 3.58Å; S1045-S1048 WeakPolarHBondContact O-CA 3.32Å; S1045-S1048 WeakPolarHBondContact O-CB 3.38Å; S1045-S1048 PolarHBondContact O-N 2.82Å; E1046-S1048 PolarHBondContact O-N 2.89Å |
| 1049 | R | 92.6 | Very high | 92.6 | Very high | 165 Ų | 165 | 89.2 Ų | 89.2 | 62% | 0.623 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -131.5 | 47.4 | 176.3 | -143.6 | 170.3 | 168.7 | 167.1 | -5 | 108.3 | K144 K145 S1045 E1046 | K144-R1049 VanDerWaalsContact CA-C 3.49Å; K144-R1049 HydrophobicContact CB-CG 4.2Å; K144-R1049 WeakPolarHBondContact CB-O 3.37Å; K144-R1049 HydrophobicContact CD-CG 4.28Å; K144-R1049 WeakPolarHBondContact CD-O 3.31Å; K144-R1049 WeakPolarHBondContact CE-O 3.45Å; K144-R1049 VanDerWaalsContact CG-C 3.44Å; K144-R1049 WeakPolarHBondContact CG-O 3.39Å; K144-R1049 PolarHBondContact NZ-O 2.82Å; K144-R1049 VanDerWaalsContact O-CA 3.32Å; K144-R1049 WeakPolarHBondContact O-CA 3.45Å; K145-R1049 VanDerWaalsContact N-CA 3.34Å; S1045-R1049 PolarHBondContact O-N 2.89Å; E1046-R1049 VanDerWaalsContact C-N 3.34Å; E1046-R1049 CarbonylContact O-C 3.58Å; E1046-R1049 WeakPolarHBondContact O-CA 3.36Å; E1046-R1049 PolarHBondContact O-N 2.96Å |
| 1050 | Q | 92.1 | Very high | 92.5 | Very high | 76 Ų | 76 | 85.6 Ų | 85.6 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -144.9 | 2.2 | 175.7 | -79.9 | -152.8 | -36 | 0 | 0 | 123.5 | E143 K144 K145 E1046 | E143-Q1050 WeakPolarHBondContact CA-O 3.43Å; E143-Q1050 HydrophobicContact CG-CB 4.15Å; E143-Q1050 HydrophobicContact CG-CG 4.05Å; E143-Q1050 VanDerWaalsContact CG-O 3.25Å; E143-Q1050 WeakPolarHBondContact CG-O 3.41Å; E143-Q1050 WeakPolarHBondContact OE1-CG 3.38Å; E143-Q1050 PolarHBondContact OE1-NE2 2.88Å; K144-Q1050 PolarHBondContact N-O 3.5Å; K145-Q1050 VanDerWaalsContact CB-C 3.41Å; K145-Q1050 VanDerWaalsContact CB-CA 3.48Å; K145-Q1050 HydrophobicContact CB-CB 3.88Å; K145-Q1050 HydrophobicContact CD-CB 3.63Å; K145-Q1050 HydrophobicContact CG-CB 3.83Å; E1046-Q1050 WeakPolarHBondContact O-CG 3.49Å; E1046-Q1050 PolarHBondContact O-N 2.83Å |
| 1051 | E | 88.3 | Confident | 92.4 | Very high | 59 Ų | 59 | 88 Ų | 88 | 28% | 0.276 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -142.1 | -29.3 | 160.8 | 151.9 | -70.2 | 144.8 | 0 | 0 | 117 | K144 K145 V146 Q1053 Q1054 R1055 | K144-E1051 VanDerWaalsContact C-C 3.46Å; K145-E1051 VanDerWaalsContact CA-CA 3.43Å; K145-E1051 VanDerWaalsContact CA-OE2 3.24Å; K145-E1051 WeakPolarHBondContact CA-OE2 3.4Å; K145-E1051 HydrophobicContact CB-CB 4.19Å; K145-E1051 HydrophobicContact CG-CB 3.6Å; V146-E1051 PolarHBondContact N-OE2 2.86Å; E1051-Q1053 PolarHBondContact O-N 2.95Å; E1051-Q1054 HydrophobicContact CB-CB 4.39Å; E1051-Q1054 CarbonylContact O-C 3.59Å; E1051-Q1054 VanDerWaalsContact O-C 3.27Å; E1051-Q1054 WeakPolarHBondContact O-CA 3.33Å; E1051-Q1054 WeakPolarHBondContact O-CB 3.31Å; E1051-Q1054 PolarHBondContact O-N 2.91Å; E1051-R1055 PolarHBondContact O-N 3.12Å |
| 1052 | E | 89.4 | Confident | 92.2 | Very high | 70 Ų | 70 | 86.4 Ų | 86.4 | 33% | 0.327 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | -180 | -172.3 | -98.3 | 34.6 | 0 | 0 | 115.3 | K144 Q1054 R1055 K1056 | K144-E1052 WeakPolarHBondContact O-CB 3.33Å; K144-E1052 PolarHBondContact O-N 2.96Å; E1052-Q1054 PolarHBondContact O-N 2.86Å; E1052-R1055 CarbonylContact O-C 3.56Å; E1052-R1055 WeakPolarHBondContact O-CA 3.41Å; E1052-R1055 VanDerWaalsContact O-CB 3.28Å; E1052-R1055 WeakPolarHBondContact O-CB 3.38Å; E1052-R1055 PolarHBondContact O-N 2.78Å; E1052-K1056 PolarHBondContact O-N 2.95Å; E1052-K1056 WeakPolarHBondContact OE1-CE 3.38Å; E1052-K1056 IonicContact OE1-NZ 3.74Å; E1052-K1056 PolarHBondContact OE1-NZ 2.9Å; E1052-K1056 WeakPolarHBondContact OE2-CE 3.35Å; E1052-K1056 IonicContact OE2-NZ 2.57Å; E1052-K1056 PolarHBondContact OE2-NZ 3.14Å |
| 1053 | Q | 93.6 | Very high | 92 | Very high | 84 Ų | 84 | 85.7 Ų | 85.7 | 39% | 0.393 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.7 | -20.4 | 164.8 | -53.6 | 171.7 | -2.7 | 0 | 0 | 112.9 | K142 E143 K144 E1051 A1057 | K142-Q1053 CarbonylContact O-C 3.3Å; E143-Q1053 CarbonylContact O-C 3.52Å; E143-Q1053 VanDerWaalsContact O-CB 3.27Å; E143-Q1053 WeakPolarHBondContact O-CB 3.38Å; K144-Q1053 VanDerWaalsContact CA-N 3.35Å; K144-Q1053 HydrophobicContact CB-CB 3.83Å; K144-Q1053 HydrophobicContact CB-CG 3.75Å; K144-Q1053 PolarHBondContact O-N 2.9Å; E1051-Q1053 PolarHBondContact O-N 2.95Å; Q1053-A1057 VanDerWaalsContact O-CB 3.3Å; Q1053-A1057 WeakPolarHBondContact O-CB 3.49Å; Q1053-A1057 PolarHBondContact O-N 2.9Å |
| 1054 | Q | 92 | Very high | 91.8 | Very high | 83 Ų | 83 | 84.6 Ų | 84.6 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73.1 | -38.6 | 166.4 | -159.7 | -176.1 | -32.3 | 0 | 0 | 111.1 | K142 E143 E1051 E1052 A1057 L1058 | K142-Q1054 WeakPolarHBondContact O-CA 3.34Å; K142-Q1054 WeakPolarHBondContact O-CB 3.38Å; K142-Q1054 PolarHBondContact O-N 2.85Å; K142-Q1054 VanDerWaalsContact O-N 3.12Å; E143-Q1054 PolarHBondContact O-N 3.04Å; E1051-Q1054 HydrophobicContact CB-CB 4.39Å; E1051-Q1054 CarbonylContact O-C 3.59Å; E1051-Q1054 VanDerWaalsContact O-C 3.27Å; E1051-Q1054 WeakPolarHBondContact O-CA 3.33Å; E1051-Q1054 WeakPolarHBondContact O-CB 3.31Å; E1051-Q1054 PolarHBondContact O-N 2.91Å; E1052-Q1054 PolarHBondContact O-N 2.86Å; Q1054-A1057 CarbonylContact O-C 3.56Å; Q1054-A1057 PolarHBondContact O-N 3.47Å; Q1054-L1058 HydrophobicContact CG-CD1 4.41Å; Q1054-L1058 VanDerWaalsContact O-CB 3.29Å; Q1054-L1058 WeakPolarHBondContact O-CB 3.29Å; Q1054-L1058 WeakPolarHBondContact O-CG 3.36Å; Q1054-L1058 PolarHBondContact O-N 2.97Å |
| 1055 | R | 90 | Very high | 91.7 | Very high | 158 Ų | 158 | 86.1 Ų | 86.1 | 60% | 0.596 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 168.5 | 175.9 | -179 | 170.2 | -176.5 | -2.3 | 110 | E1051 E1052 A1057 L1058 E1059 | E1051-R1055 PolarHBondContact O-N 3.12Å; E1052-R1055 CarbonylContact O-C 3.56Å; E1052-R1055 WeakPolarHBondContact O-CA 3.41Å; E1052-R1055 VanDerWaalsContact O-CB 3.28Å; E1052-R1055 WeakPolarHBondContact O-CB 3.38Å; E1052-R1055 PolarHBondContact O-N 2.78Å; R1055-A1057 VanDerWaalsContact C-N 3.35Å; R1055-A1057 PolarHBondContact O-N 3.26Å; R1055-L1058 CarbonylContact O-C 3.52Å; R1055-L1058 PolarHBondContact O-N 3.11Å; R1055-E1059 WeakPolarHBondContact O-CB 3.4Å; R1055-E1059 PolarHBondContact O-N 3.26Å |
| 1056 | K | 93.6 | Very high | 91.6 | Very high | 110 Ų | 110 | 89.4 Ų | 89.4 | 48% | 0.478 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 171.3 | -69.7 | 175.2 | 178.1 | 140.1 | 0 | 112.7 | E1052 A1060 | E1052-K1056 PolarHBondContact O-N 2.95Å; E1052-K1056 WeakPolarHBondContact OE1-CE 3.38Å; E1052-K1056 IonicContact OE1-NZ 3.74Å; E1052-K1056 PolarHBondContact OE1-NZ 2.9Å; E1052-K1056 WeakPolarHBondContact OE2-CE 3.35Å; E1052-K1056 IonicContact OE2-NZ 2.57Å; E1052-K1056 PolarHBondContact OE2-NZ 3.14Å; K1056-A1060 VanDerWaalsContact O-CB 3.25Å; K1056-A1060 WeakPolarHBondContact O-CB 3.49Å; K1056-A1060 PolarHBondContact O-N 2.94Å |
| 1057 | A | 92.4 | Very high | 91.6 | Very high | 29 Ų | 29 | 90.6 Ų | 90.6 | 24% | 0.24 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -70.7 | -34.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1053 Q1054 R1055 K1061 | Q1053-A1057 VanDerWaalsContact O-CB 3.3Å; Q1053-A1057 WeakPolarHBondContact O-CB 3.49Å; Q1053-A1057 PolarHBondContact O-N 2.9Å; Q1054-A1057 CarbonylContact O-C 3.56Å; Q1054-A1057 PolarHBondContact O-N 3.47Å; R1055-A1057 VanDerWaalsContact C-N 3.35Å; R1055-A1057 PolarHBondContact O-N 3.26Å; A1057-K1061 WeakPolarHBondContact O-CB 3.43Å; A1057-K1061 WeakPolarHBondContact O-CG 3.27Å; A1057-K1061 PolarHBondContact O-N 2.95Å |
| 1058 | L | 92.5 | Very high | 91.5 | Very high | 104 Ų | 104 | 94.5 Ų | 94.5 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.9 | -36.2 | 173.9 | -72.9 | 168.3 | 0 | 0 | 0 | 111.6 | Q1054 R1055 K1061 A1062 | Q1054-L1058 HydrophobicContact CG-CD1 4.41Å; Q1054-L1058 VanDerWaalsContact O-CB 3.29Å; Q1054-L1058 WeakPolarHBondContact O-CB 3.29Å; Q1054-L1058 WeakPolarHBondContact O-CG 3.36Å; Q1054-L1058 PolarHBondContact O-N 2.97Å; R1055-L1058 CarbonylContact O-C 3.52Å; R1055-L1058 PolarHBondContact O-N 3.11Å; L1058-K1061 PolarHBondContact O-N 3.44Å; L1058-A1062 WeakPolarHBondContact O-CB 3.25Å; L1058-A1062 PolarHBondContact O-N 3.28Å |
| 1059 | E | 90.6 | Very high | 91.5 | Very high | 117 Ų | 117 | 96.9 Ų | 96.9 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69 | -41.5 | 174.6 | -175.9 | 167.6 | -143.4 | 0 | 0 | 110.9 | R1055 A1062 A1063 | R1055-E1059 WeakPolarHBondContact O-CB 3.4Å; R1055-E1059 PolarHBondContact O-N 3.26Å; E1059-A1062 PolarHBondContact O-N 2.93Å; E1059-A1063 WeakPolarHBondContact O-CB 3.37Å; E1059-A1063 PolarHBondContact O-N 2.89Å |
| 1060 | A | 93.2 | Very high | 91.5 | Very high | 57 Ų | 57 | 93.8 Ų | 93.8 | 47% | 0.471 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112 | K1056 A1063 T1064 | K1056-A1060 VanDerWaalsContact O-CB 3.25Å; K1056-A1060 WeakPolarHBondContact O-CB 3.49Å; K1056-A1060 PolarHBondContact O-N 2.94Å; A1060-A1063 PolarHBondContact O-N 3.31Å; A1060-T1064 PolarHBondContact O-N 2.84Å; A1060-T1064 PolarHBondContact O-OG1 3.44Å |
| 1061 | K | 93.3 | Very high | 91.5 | Very high | 129 Ų | 129 | 96.7 Ų | 96.7 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 172.9 | -79.4 | -178.9 | 175.2 | -166.4 | 0 | 112.1 | A1057 L1058 A1063 T1064 F1065 | A1057-K1061 WeakPolarHBondContact O-CB 3.43Å; A1057-K1061 WeakPolarHBondContact O-CG 3.27Å; A1057-K1061 PolarHBondContact O-N 2.95Å; L1058-K1061 PolarHBondContact O-N 3.44Å; K1061-A1063 VanDerWaalsContact C-N 3.34Å; K1061-A1063 PolarHBondContact O-N 3.34Å; K1061-T1064 WeakPolarHBondContact CA-OG1 3.23Å; K1061-T1064 PolarHBondContact O-N 3.05Å; K1061-T1064 VanDerWaalsContact O-N 3.15Å; K1061-T1064 PolarHBondContact O-OG1 2.92Å; K1061-F1065 HydrophobicContact CB-CE2 4.46Å; K1061-F1065 WeakPolarHBondContact O-CD2 3.4Å; K1061-F1065 PolarHBondContact O-N 3.05Å |
| 1062 | A | 87.7 | Confident | 91.6 | Very high | 53 Ų | 53 | 99.9 Ų | 99.9 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | L1058 E1059 T1064 F1065 E1066 | L1058-A1062 WeakPolarHBondContact O-CB 3.25Å; L1058-A1062 PolarHBondContact O-N 3.28Å; E1059-A1062 PolarHBondContact O-N 2.93Å; A1062-T1064 VanDerWaalsContact C-N 3.33Å; A1062-T1064 PolarHBondContact O-N 3.29Å; A1062-F1065 PolarHBondContact O-N 2.84Å; A1062-E1066 WeakPolarHBondContact O-CB 3.42Å; A1062-E1066 PolarHBondContact O-N 3.05Å |
| 1063 | A | 92.6 | Very high | 91.6 | Very high | 54 Ų | 54 | 102.5 Ų | 102.5 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -35.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1059 A1060 K1061 K1067 | E1059-A1063 WeakPolarHBondContact O-CB 3.37Å; E1059-A1063 PolarHBondContact O-N 2.89Å; A1060-A1063 PolarHBondContact O-N 3.31Å; K1061-A1063 VanDerWaalsContact C-N 3.34Å; K1061-A1063 PolarHBondContact O-N 3.34Å; A1063-K1067 WeakPolarHBondContact O-CB 3.43Å; A1063-K1067 PolarHBondContact O-N 3.32Å |
| 1064 | T | 90.7 | Very high | 91.5 | Very high | 80 Ų | 80 | 100.6 Ų | 100.6 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.8 | -38.8 | 172.9 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | A1060 K1061 A1062 K1067 Q1068 | A1060-T1064 PolarHBondContact O-N 2.84Å; A1060-T1064 PolarHBondContact O-OG1 3.44Å; K1061-T1064 WeakPolarHBondContact CA-OG1 3.23Å; K1061-T1064 PolarHBondContact O-N 3.05Å; K1061-T1064 VanDerWaalsContact O-N 3.15Å; K1061-T1064 PolarHBondContact O-OG1 2.92Å; A1062-T1064 VanDerWaalsContact C-N 3.33Å; A1062-T1064 PolarHBondContact O-N 3.29Å; T1064-K1067 PolarHBondContact O-N 2.89Å; T1064-Q1068 WeakPolarHBondContact O-CG 2.91Å; T1064-Q1068 PolarHBondContact O-N 2.8Å |
| 1065 | F | 92.1 | Very high | 91.4 | Very high | 127 Ų | 127 | 99.9 Ų | 99.9 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.5 | -39.6 | 174.2 | -71 | -56.6 | 0 | 0 | 0 | 112 | K1061 A1062 K1067 Q1068 V1069 | K1061-F1065 HydrophobicContact CB-CE2 4.46Å; K1061-F1065 WeakPolarHBondContact O-CD2 3.4Å; K1061-F1065 PolarHBondContact O-N 3.05Å; A1062-F1065 PolarHBondContact O-N 2.84Å; F1065-K1067 VanDerWaalsContact C-N 3.32Å; F1065-K1067 PolarHBondContact O-N 2.89Å; F1065-Q1068 PolarHBondContact O-N 2.71Å; F1065-Q1068 VanDerWaalsContact O-N 3.17Å; F1065-V1069 WeakPolarHBondContact O-CG2 3.24Å; F1065-V1069 PolarHBondContact O-N 2.91Å |
| 1066 | E | 88.2 | Confident | 91.4 | Very high | 130 Ų | 130 | 97.7 Ų | 97.7 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.5 | -42.2 | 173.6 | -174.6 | 173 | -157.7 | 0 | 0 | 110.9 | A1062 Q1068 V1069 L1070 | A1062-E1066 WeakPolarHBondContact O-CB 3.42Å; A1062-E1066 PolarHBondContact O-N 3.05Å; E1066-Q1068 PolarHBondContact O-N 2.71Å; E1066-V1069 PolarHBondContact O-N 2.98Å; E1066-L1070 HydrophobicContact CG-CD1 4.21Å; E1066-L1070 WeakPolarHBondContact O-CB 3.22Å; E1066-L1070 VanDerWaalsContact O-CG 3.28Å; E1066-L1070 WeakPolarHBondContact O-CG 3.46Å; E1066-L1070 PolarHBondContact O-N 3.12Å |
| 1067 | K | 93.7 | Very high | 91.3 | Very high | 152 Ų | 152 | 97.4 Ų | 97.4 | 66% | 0.661 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 172.7 | -172.6 | -180 | 177.7 | -175 | 0 | 112.5 | A1063 T1064 F1065 L1070 Q1071 | A1063-K1067 WeakPolarHBondContact O-CB 3.43Å; A1063-K1067 PolarHBondContact O-N 3.32Å; T1064-K1067 PolarHBondContact O-N 2.89Å; F1065-K1067 VanDerWaalsContact C-N 3.32Å; F1065-K1067 PolarHBondContact O-N 2.89Å; K1067-L1070 PolarHBondContact O-N 2.87Å; K1067-Q1071 WeakPolarHBondContact O-CB 3.47Å; K1067-Q1071 PolarHBondContact O-N 3.01Å |
| 1068 | Q | 92.4 | Very high | 91.2 | Very high | 108 Ų | 108 | 102.1 Ų | 102.1 | 51% | 0.505 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 175.2 | -75.4 | 177.3 | -13.7 | 0 | 0 | 111.9 | T1064 F1065 E1066 L1070 Q1071 L1072 | T1064-Q1068 WeakPolarHBondContact O-CG 2.91Å; T1064-Q1068 PolarHBondContact O-N 2.8Å; F1065-Q1068 PolarHBondContact O-N 2.71Å; F1065-Q1068 VanDerWaalsContact O-N 3.17Å; E1066-Q1068 PolarHBondContact O-N 2.71Å; Q1068-L1070 PolarHBondContact O-N 2.96Å; Q1068-Q1071 PolarHBondContact O-N 2.95Å; Q1068-L1072 WeakPolarHBondContact O-CB 3.43Å; Q1068-L1072 WeakPolarHBondContact O-CG 3.05Å; Q1068-L1072 PolarHBondContact O-N 3.05Å |
| 1069 | V | 89.6 | Confident | 90.9 | Very high | 90 Ų | 90 | 100 Ų | 100 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176.1 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | F1065 E1066 L1072 Q1073 | F1065-V1069 WeakPolarHBondContact O-CG2 3.24Å; F1065-V1069 PolarHBondContact O-N 2.91Å; E1066-V1069 PolarHBondContact O-N 2.98Å; V1069-L1072 PolarHBondContact O-N 2.94Å; V1069-Q1073 VanDerWaalsContact O-CB 3.22Å; V1069-Q1073 WeakPolarHBondContact O-CB 3.44Å; V1069-Q1073 PolarHBondContact O-N 3Å |
| 1070 | L | 92.9 | Very high | 90.6 | Very high | 100 Ų | 100 | 99.3 Ų | 99.3 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 174.7 | -72.7 | 169.3 | 0 | 0 | 0 | 112.4 | E1066 K1067 Q1068 Q1073 A1074 | E1066-L1070 HydrophobicContact CG-CD1 4.21Å; E1066-L1070 WeakPolarHBondContact O-CB 3.22Å; E1066-L1070 VanDerWaalsContact O-CG 3.28Å; E1066-L1070 WeakPolarHBondContact O-CG 3.46Å; E1066-L1070 PolarHBondContact O-N 3.12Å; K1067-L1070 PolarHBondContact O-N 2.87Å; Q1068-L1070 PolarHBondContact O-N 2.96Å; L1070-Q1073 PolarHBondContact O-N 2.95Å; L1070-A1074 WeakPolarHBondContact O-CB 3.48Å; L1070-A1074 PolarHBondContact O-N 3.26Å |
| 1071 | Q | 93 | Very high | 90.4 | Very high | 137 Ų | 137 | 101.3 Ų | 101.3 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.3 | -44 | 175.3 | -176.2 | 174.6 | -5 | 0 | 0 | 111.9 | K1067 Q1068 Q1073 A1074 S1075 | K1067-Q1071 WeakPolarHBondContact O-CB 3.47Å; K1067-Q1071 PolarHBondContact O-N 3.01Å; Q1068-Q1071 PolarHBondContact O-N 2.95Å; Q1071-Q1073 VanDerWaalsContact C-N 3.33Å; Q1071-A1074 PolarHBondContact O-N 3.13Å; Q1071-S1075 PolarHBondContact O-N 3.3Å |
| 1072 | L | 90.4 | Very high | 90.2 | Very high | 125 Ų | 125 | 98 Ų | 98 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | 173.8 | -71.3 | 169.9 | 0 | 0 | 0 | 111.5 | Q1068 V1069 S1075 H1076 | Q1068-L1072 WeakPolarHBondContact O-CB 3.43Å; Q1068-L1072 WeakPolarHBondContact O-CG 3.05Å; Q1068-L1072 PolarHBondContact O-N 3.05Å; V1069-L1072 PolarHBondContact O-N 2.94Å; L1072-S1075 PolarHBondContact O-N 2.86Å; L1072-H1076 VanDerWaalsContact O-CB 3.31Å; L1072-H1076 WeakPolarHBondContact O-CB 3.15Å; L1072-H1076 PolarHBondContact O-N 2.94Å |
| 1073 | Q | 88.9 | Confident | 90.3 | Very high | 126 Ų | 126 | 101 Ų | 101 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.2 | -34.5 | 175.9 | -172.6 | 173 | 32.8 | 0 | 0 | 112.4 | V1069 L1070 Q1071 K1077 | V1069-Q1073 VanDerWaalsContact O-CB 3.22Å; V1069-Q1073 WeakPolarHBondContact O-CB 3.44Å; V1069-Q1073 PolarHBondContact O-N 3Å; L1070-Q1073 PolarHBondContact O-N 2.95Å; Q1071-Q1073 VanDerWaalsContact C-N 3.33Å; Q1073-K1077 VanDerWaalsContact O-CB 3.26Å; Q1073-K1077 WeakPolarHBondContact O-CB 3.33Å; Q1073-K1077 PolarHBondContact O-N 3.08Å |
| 1074 | A | 91.5 | Very high | 90 | Very high | 43 Ų | 43 | 103 Ų | 103 | 36% | 0.355 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -49.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1070 Q1071 H1076 K1077 E1078 | L1070-A1074 WeakPolarHBondContact O-CB 3.48Å; L1070-A1074 PolarHBondContact O-N 3.26Å; Q1071-A1074 PolarHBondContact O-N 3.13Å; A1074-H1076 PolarHBondContact O-N 2.94Å; A1074-K1077 WeakPolarHBondContact O-CB 3.31Å; A1074-K1077 PolarHBondContact O-N 2.97Å; A1074-K1077 VanDerWaalsContact O-N 3.11Å; A1074-E1078 WeakPolarHBondContact O-CG 3.42Å; A1074-E1078 PolarHBondContact O-N 3Å |
| 1075 | S | 90.7 | Very high | 90.1 | Very high | 69 Ų | 69 | 105.8 Ų | 105.8 | 48% | 0.483 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 112.9 | Q1071 L1072 K1077 E1078 S1079 | Q1071-S1075 PolarHBondContact O-N 3.3Å; L1072-S1075 PolarHBondContact O-N 2.86Å; S1075-K1077 VanDerWaalsContact C-N 3.34Å; S1075-K1077 PolarHBondContact O-N 3.14Å; S1075-E1078 PolarHBondContact O-N 3.29Å; S1075-S1079 PolarHBondContact O-N 2.96Å; S1075-S1079 PolarHBondContact O-OG 2.97Å |
| 1076 | H | 89.3 | Confident | 90 | Very high | 111 Ų | 111 | 108 Ų | 108 | 51% | 0.514 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 172.7 | -173.3 | -72.8 | 0 | 0 | 0 | 111.8 | L1072 A1074 E1078 S1079 E1080 | L1072-H1076 VanDerWaalsContact O-CB 3.31Å; L1072-H1076 WeakPolarHBondContact O-CB 3.15Å; L1072-H1076 PolarHBondContact O-N 2.94Å; A1074-H1076 PolarHBondContact O-N 2.94Å; H1076-E1078 VanDerWaalsContact C-N 3.35Å; H1076-S1079 PolarHBondContact O-N 2.93Å; H1076-S1079 PolarHBondContact O-OG 3.14Å; H1076-E1080 IonicContact CE1-OE1 3.18Å; H1076-E1080 PolarHBondContact CE1-OE1 3.05Å; H1076-E1080 IonicContact CE1-OE2 3.62Å; H1076-E1080 PolarHBondContact CE1-OE2 2.88Å; H1076-E1080 IonicContact ND1-OE1 2.83Å; H1076-E1080 IonicContact ND1-OE2 2.7Å; H1076-E1080 PolarHBondContact ND1-OE2 2.86Å; H1076-E1080 WeakPolarHBondContact O-CB 3.07Å; H1076-E1080 WeakPolarHBondContact O-CG 3.07Å; H1076-E1080 PolarHBondContact O-N 3.25Å |
| 1077 | K | 91.5 | Very high | 90.2 | Very high | 105 Ų | 105 | 106.5 Ų | 106.5 | 46% | 0.457 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.1 | -34 | 177.8 | -176.2 | -179.9 | 165.6 | -67.3 | 0 | 112.1 | Q1073 A1074 S1075 E1081 | Q1073-K1077 VanDerWaalsContact O-CB 3.26Å; Q1073-K1077 WeakPolarHBondContact O-CB 3.33Å; Q1073-K1077 PolarHBondContact O-N 3.08Å; A1074-K1077 WeakPolarHBondContact O-CB 3.31Å; A1074-K1077 PolarHBondContact O-N 2.97Å; A1074-K1077 VanDerWaalsContact O-N 3.11Å; S1075-K1077 VanDerWaalsContact C-N 3.34Å; S1075-K1077 PolarHBondContact O-N 3.14Å; K1077-E1081 WeakPolarHBondContact CE-OE1 3.23Å; K1077-E1081 IonicContact NZ-OE1 2.67Å; K1077-E1081 PolarHBondContact NZ-OE1 3.04Å; K1077-E1081 IonicContact NZ-OE2 2.71Å; K1077-E1081 WeakPolarHBondContact O-CB 2.88Å; K1077-E1081 WeakPolarHBondContact O-CG 3.34Å; K1077-E1081 PolarHBondContact O-N 3.48Å |
| 1078 | E | 90.9 | Very high | 90 | Very high | 128 Ų | 128 | 103.8 Ų | 103.8 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.4 | -39.2 | 174.3 | -74.1 | 166 | -173.2 | 0 | 0 | 111.7 | A1074 S1075 H1076 E1081 A1082 | A1074-E1078 WeakPolarHBondContact O-CG 3.42Å; A1074-E1078 PolarHBondContact O-N 3Å; S1075-E1078 PolarHBondContact O-N 3.29Å; H1076-E1078 VanDerWaalsContact C-N 3.35Å; E1078-E1081 PolarHBondContact O-N 3.43Å; E1078-A1082 WeakPolarHBondContact O-CB 3.43Å; E1078-A1082 PolarHBondContact O-N 3.13Å |
| 1079 | S | 84.9 | Confident | 90 | Very high | 58 Ų | 58 | 102.3 Ų | 102.3 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.3 | -36.9 | 174 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | S1075 H1076 A1082 L1083 | S1075-S1079 PolarHBondContact O-N 2.96Å; S1075-S1079 PolarHBondContact O-OG 2.97Å; H1076-S1079 PolarHBondContact O-N 2.93Å; H1076-S1079 PolarHBondContact O-OG 3.14Å; S1079-A1082 PolarHBondContact O-N 2.95Å; S1079-L1083 WeakPolarHBondContact O-CB 3.31Å; S1079-L1083 VanDerWaalsContact O-CG 3.31Å; S1079-L1083 WeakPolarHBondContact O-CG 3.48Å; S1079-L1083 PolarHBondContact O-N 2.93Å |
| 1080 | E | 85.7 | Confident | 90.2 | Very high | 104 Ų | 104 | 102 Ų | 102 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 168.2 | -77.6 | 175.4 | 122.8 | 0 | 0 | 111.6 | H1076 A1082 L1083 Q1084 | H1076-E1080 IonicContact CE1-OE1 3.18Å; H1076-E1080 PolarHBondContact CE1-OE1 3.05Å; H1076-E1080 IonicContact CE1-OE2 3.62Å; H1076-E1080 PolarHBondContact CE1-OE2 2.88Å; H1076-E1080 IonicContact ND1-OE1 2.83Å; H1076-E1080 IonicContact ND1-OE2 2.7Å; H1076-E1080 PolarHBondContact ND1-OE2 2.86Å; H1076-E1080 WeakPolarHBondContact O-CB 3.07Å; H1076-E1080 WeakPolarHBondContact O-CG 3.07Å; H1076-E1080 PolarHBondContact O-N 3.25Å; E1080-A1082 VanDerWaalsContact C-N 3.34Å; E1080-A1082 PolarHBondContact O-N 3.01Å; E1080-L1083 PolarHBondContact O-N 3.17Å; E1080-Q1084 VanDerWaalsContact O-CB 3.24Å; E1080-Q1084 WeakPolarHBondContact O-CB 3.32Å; E1080-Q1084 PolarHBondContact O-N 3Å |
| 1081 | E | 89.4 | Confident | 90 | Very high | 98 Ų | 98 | 100.6 Ų | 100.6 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.8 | -30.9 | 177.7 | -77.5 | 179.7 | -171.2 | 0 | 0 | 113 | K1077 E1078 K1085 | K1077-E1081 WeakPolarHBondContact CE-OE1 3.23Å; K1077-E1081 IonicContact NZ-OE1 2.67Å; K1077-E1081 PolarHBondContact NZ-OE1 3.04Å; K1077-E1081 IonicContact NZ-OE2 2.71Å; K1077-E1081 WeakPolarHBondContact O-CB 2.88Å; K1077-E1081 WeakPolarHBondContact O-CG 3.34Å; K1077-E1081 PolarHBondContact O-N 3.48Å; E1078-E1081 PolarHBondContact O-N 3.43Å; E1081-K1085 WeakPolarHBondContact O-CG 3.49Å; E1081-K1085 PolarHBondContact O-N 3.37Å; E1081-K1085 VanDerWaalsContact O-N 3.14Å |
| 1082 | A | 87.7 | Confident | 89.9 | Confident | 59 Ų | 59 | 99.6 Ų | 99.6 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.2 | -44.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1078 S1079 E1080 K1085 R1086 | E1078-A1082 WeakPolarHBondContact O-CB 3.43Å; E1078-A1082 PolarHBondContact O-N 3.13Å; S1079-A1082 PolarHBondContact O-N 2.95Å; E1080-A1082 VanDerWaalsContact C-N 3.34Å; E1080-A1082 PolarHBondContact O-N 3.01Å; A1082-K1085 PolarHBondContact O-N 3.04Å; A1082-R1086 PolarHBondContact O-N 3.19Å |
| 1083 | L | 89.7 | Confident | 89.8 | Confident | 118 Ų | 118 | 98.4 Ų | 98.4 | 62% | 0.618 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 175.3 | -73.1 | 170.3 | 0 | 0 | 0 | 111.4 | S1079 E1080 R1086 L1087 | S1079-L1083 WeakPolarHBondContact O-CB 3.31Å; S1079-L1083 VanDerWaalsContact O-CG 3.31Å; S1079-L1083 WeakPolarHBondContact O-CG 3.48Å; S1079-L1083 PolarHBondContact O-N 2.93Å; E1080-L1083 PolarHBondContact O-N 3.17Å; L1083-R1086 PolarHBondContact O-N 2.69Å; L1083-L1087 WeakPolarHBondContact O-CB 3.37Å; L1083-L1087 PolarHBondContact O-N 2.94Å |
| 1084 | Q | 86.5 | Confident | 90 | Very high | 94 Ų | 94 | 97 Ų | 97 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 175.6 | 179.3 | 58.7 | 33.5 | 0 | 0 | 111.7 | E1080 R1086 L1087 E1088 | E1080-Q1084 VanDerWaalsContact O-CB 3.24Å; E1080-Q1084 WeakPolarHBondContact O-CB 3.32Å; E1080-Q1084 PolarHBondContact O-N 3Å; Q1084-R1086 VanDerWaalsContact C-N 3.32Å; Q1084-R1086 PolarHBondContact O-N 2.77Å; Q1084-L1087 PolarHBondContact O-N 2.93Å; Q1084-E1088 WeakPolarHBondContact CG-OE1 3.23Å; Q1084-E1088 PolarHBondContact NE2-OE1 3.37Å; Q1084-E1088 WeakPolarHBondContact O-CG 3.29Å; Q1084-E1088 PolarHBondContact O-N 3.09Å |
| 1085 | K | 93.1 | Very high | 90 | Very high | 139 Ų | 139 | 98 Ų | 98 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.9 | -40.6 | 173.4 | -79.4 | 173.9 | 179.3 | 172.2 | 0 | 112.7 | E1081 A1082 E1088 E1089 | E1081-K1085 WeakPolarHBondContact O-CG 3.49Å; E1081-K1085 PolarHBondContact O-N 3.37Å; E1081-K1085 VanDerWaalsContact O-N 3.14Å; A1082-K1085 PolarHBondContact O-N 3.04Å; K1085-E1088 PolarHBondContact O-N 3.04Å; K1085-E1089 PolarHBondContact O-N 3.27Å |
| 1086 | R | 90.4 | Very high | 90 | Very high | 173 Ų | 173 | 101.7 Ų | 101.7 | 65% | 0.653 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.2 | -33.5 | 178.6 | -164.8 | 169.2 | -177.7 | 80.7 | -2.7 | 112 | A1082 L1083 Q1084 E1089 V1090 | A1082-R1086 PolarHBondContact O-N 3.19Å; L1083-R1086 PolarHBondContact O-N 2.69Å; Q1084-R1086 VanDerWaalsContact C-N 3.32Å; Q1084-R1086 PolarHBondContact O-N 2.77Å; R1086-E1089 WeakPolarHBondContact O-CB 3.25Å; R1086-E1089 PolarHBondContact O-N 3.26Å; R1086-V1090 WeakPolarHBondContact O-CG2 3.48Å; R1086-V1090 PolarHBondContact O-N 2.7Å |
| 1087 | L | 91.4 | Very high | 90 | Very high | 100 Ų | 100 | 99.1 Ų | 99.1 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 170.9 | -178.7 | 61.2 | 0 | 0 | 0 | 111.5 | L1083 Q1084 E1089 V1090 T1091 | L1083-L1087 WeakPolarHBondContact O-CB 3.37Å; L1083-L1087 PolarHBondContact O-N 2.94Å; Q1084-L1087 PolarHBondContact O-N 2.93Å; L1087-E1089 VanDerWaalsContact C-N 3.28Å; L1087-E1089 PolarHBondContact O-N 2.88Å; L1087-V1090 PolarHBondContact O-N 3.23Å; L1087-T1091 VanDerWaalsContact O-CB 3.29Å; L1087-T1091 WeakPolarHBondContact O-CB 3.48Å; L1087-T1091 PolarHBondContact O-N 2.91Å; L1087-T1091 PolarHBondContact O-OG1 3.44Å |
| 1088 | E | 90.8 | Very high | 89.8 | Confident | 94 Ų | 94 | 99.8 Ų | 99.8 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -31.5 | 172.6 | -73.1 | 168.8 | -159.6 | 0 | 0 | 112.5 | Q1084 K1085 R1092 | Q1084-E1088 WeakPolarHBondContact CG-OE1 3.23Å; Q1084-E1088 PolarHBondContact NE2-OE1 3.37Å; Q1084-E1088 WeakPolarHBondContact O-CG 3.29Å; Q1084-E1088 PolarHBondContact O-N 3.09Å; K1085-E1088 PolarHBondContact O-N 3.04Å; E1088-R1092 WeakPolarHBondContact O-CB 3.26Å; E1088-R1092 VanDerWaalsContact O-CG 3.28Å; E1088-R1092 WeakPolarHBondContact O-CG 3.38Å; E1088-R1092 PolarHBondContact O-N 2.87Å; E1088-R1092 PolarHBondContact O-NE 2.98Å; E1088-R1092 VanDerWaalsContact O-NE 3.13Å |
| 1089 | E | 91.2 | Very high | 89.8 | Confident | 78 Ų | 78 | 97.6 Ų | 97.6 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -56.6 | 171.8 | -162.3 | 112.3 | -92 | 0 | 0 | 112 | K1085 R1086 L1087 T1091 R1092 E1093 | K1085-E1089 PolarHBondContact O-N 3.27Å; R1086-E1089 WeakPolarHBondContact O-CB 3.25Å; R1086-E1089 PolarHBondContact O-N 3.26Å; L1087-E1089 VanDerWaalsContact C-N 3.28Å; L1087-E1089 PolarHBondContact O-N 2.88Å; E1089-T1091 PolarHBondContact O-N 3.31Å; E1089-R1092 VanDerWaalsContact CA-NH2 3.27Å; E1089-R1092 CarbonylContact O-C 3.58Å; E1089-R1092 WeakPolarHBondContact O-CA 3.06Å; E1089-R1092 WeakPolarHBondContact O-CB 3.21Å; E1089-R1092 PolarHBondContact O-N 3.23Å; E1089-R1092 IonicContact OE1-CZ 3.89Å; E1089-R1092 IonicContact OE1-NH1 3.35Å; E1089-R1092 PolarHBondContact OE1-NH1 3Å; E1089-R1092 IonicContact OE1-NH2 2.88Å; E1089-R1092 PolarHBondContact OE1-NH2 2.93Å; E1089-E1093 WeakPolarHBondContact O-CG 3.32Å; E1089-E1093 PolarHBondContact O-N 3.09Å |
| 1090 | V | 93.3 | Very high | 90.1 | Very high | 82 Ų | 82 | 98.2 Ų | 98.2 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.5 | -36.6 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | R1086 L1087 E1093 L1094 | R1086-V1090 WeakPolarHBondContact O-CG2 3.48Å; R1086-V1090 PolarHBondContact O-N 2.7Å; L1087-V1090 PolarHBondContact O-N 3.23Å; V1090-E1093 PolarHBondContact O-N 3.3Å; V1090-L1094 VanDerWaalsContact O-CB 3.3Å; V1090-L1094 WeakPolarHBondContact O-CB 3.37Å; V1090-L1094 PolarHBondContact O-N 3.02Å |
| 1091 | T | 89.9 | Confident | 90.2 | Very high | 72 Ų | 72 | 98.8 Ų | 98.8 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 174.7 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | L1087 E1089 E1093 C1095 | L1087-T1091 VanDerWaalsContact O-CB 3.29Å; L1087-T1091 WeakPolarHBondContact O-CB 3.48Å; L1087-T1091 PolarHBondContact O-N 2.91Å; L1087-T1091 PolarHBondContact O-OG1 3.44Å; E1089-T1091 PolarHBondContact O-N 3.31Å; T1091-E1093 VanDerWaalsContact C-N 3.3Å; T1091-E1093 PolarHBondContact O-N 3.48Å; T1091-C1095 WeakPolarHBondContact O-CB 3.41Å; T1091-C1095 PolarHBondContact O-N 2.83Å; T1091-C1095 PolarHBondContact O-SG 3.11Å |
| 1092 | R | 90.7 | Very high | 90.2 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -31.3 | 173.8 | -78.7 | 178 | -74.4 | 114.6 | -9.7 | 112.6 | E1088 E1089 R1096 | E1088-R1092 WeakPolarHBondContact O-CB 3.26Å; E1088-R1092 VanDerWaalsContact O-CG 3.28Å; E1088-R1092 WeakPolarHBondContact O-CG 3.38Å; E1088-R1092 PolarHBondContact O-N 2.87Å; E1088-R1092 PolarHBondContact O-NE 2.98Å; E1088-R1092 VanDerWaalsContact O-NE 3.13Å; E1089-R1092 VanDerWaalsContact CA-NH2 3.27Å; E1089-R1092 CarbonylContact O-C 3.58Å; E1089-R1092 WeakPolarHBondContact O-CA 3.06Å; E1089-R1092 WeakPolarHBondContact O-CB 3.21Å; E1089-R1092 PolarHBondContact O-N 3.23Å; E1089-R1092 IonicContact OE1-CZ 3.89Å; E1089-R1092 IonicContact OE1-NH1 3.35Å; E1089-R1092 PolarHBondContact OE1-NH1 3Å; E1089-R1092 IonicContact OE1-NH2 2.88Å; E1089-R1092 PolarHBondContact OE1-NH2 2.93Å; R1092-R1096 VanDerWaalsContact O-CG 3.29Å; R1092-R1096 WeakPolarHBondContact O-CG 3.4Å; R1092-R1096 PolarHBondContact O-N 2.95Å; R1092-R1096 PolarHBondContact O-NE 3.14Å |
| 1093 | E | 88.7 | Confident | 90.4 | Very high | 99 Ų | 99 | 98.6 Ų | 98.6 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76 | -45.2 | 176.7 | -73.2 | 173.5 | 175.7 | 0 | 0 | 111.3 | E1089 V1090 T1091 C1095 R1096 A1097 | E1089-E1093 WeakPolarHBondContact O-CG 3.32Å; E1089-E1093 PolarHBondContact O-N 3.09Å; V1090-E1093 PolarHBondContact O-N 3.3Å; T1091-E1093 VanDerWaalsContact C-N 3.3Å; T1091-E1093 PolarHBondContact O-N 3.48Å; E1093-C1095 VanDerWaalsContact C-N 3.33Å; E1093-C1095 PolarHBondContact O-N 2.92Å; E1093-R1096 PolarHBondContact O-N 2.83Å; E1093-R1096 VanDerWaalsContact O-N 3.09Å; E1093-R1096 IonicContact OE1-NH2 3.47Å; E1093-A1097 WeakPolarHBondContact O-CB 3.42Å; E1093-A1097 PolarHBondContact O-N 3.06Å |
| 1094 | L | 91.7 | Very high | 90.5 | Very high | 97 Ų | 97 | 98.9 Ų | 98.9 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | 172.5 | -178.3 | 61.2 | 0 | 0 | 0 | 111.7 | V1090 R1096 A1097 Q1098 | V1090-L1094 VanDerWaalsContact O-CB 3.3Å; V1090-L1094 WeakPolarHBondContact O-CB 3.37Å; V1090-L1094 PolarHBondContact O-N 3.02Å; L1094-R1096 VanDerWaalsContact C-N 3.33Å; L1094-R1096 PolarHBondContact O-N 3Å; L1094-A1097 PolarHBondContact O-N 2.87Å; L1094-Q1098 HydrophobicContact CD1-CG 4.25Å; L1094-Q1098 HydrophobicContact CG-CG 4.49Å; L1094-Q1098 WeakPolarHBondContact O-CB 3.32Å; L1094-Q1098 VanDerWaalsContact O-CG 3.28Å; L1094-Q1098 WeakPolarHBondContact O-CG 3.42Å; L1094-Q1098 PolarHBondContact O-N 3.37Å |
| 1095 | C | 91.6 | Very high | 90.7 | Very high | 64 Ų | 64 | 102.5 Ų | 102.5 | 43% | 0.432 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 175.3 | -68 | 0 | 0 | 0 | 0 | 112.4 | T1091 E1093 T1099 | T1091-C1095 WeakPolarHBondContact O-CB 3.41Å; T1091-C1095 PolarHBondContact O-N 2.83Å; T1091-C1095 PolarHBondContact O-SG 3.11Å; E1093-C1095 VanDerWaalsContact C-N 3.33Å; E1093-C1095 PolarHBondContact O-N 2.92Å; C1095-T1099 WeakPolarHBondContact O-CB 3.44Å; C1095-T1099 PolarHBondContact O-N 2.98Å; C1095-T1099 PolarHBondContact O-OG1 2.88Å |
| 1096 | R | 91.2 | Very high | 90.6 | Very high | 146 Ų | 146 | 97.6 Ų | 97.6 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.2 | -43.6 | 175.2 | -77.7 | 179.3 | -74.4 | 175.1 | 2.5 | 111.5 | R1092 E1093 L1094 T1099 S1100 | R1092-R1096 VanDerWaalsContact O-CG 3.29Å; R1092-R1096 WeakPolarHBondContact O-CG 3.4Å; R1092-R1096 PolarHBondContact O-N 2.95Å; R1092-R1096 PolarHBondContact O-NE 3.14Å; E1093-R1096 PolarHBondContact O-N 2.83Å; E1093-R1096 VanDerWaalsContact O-N 3.09Å; E1093-R1096 IonicContact OE1-NH2 3.47Å; L1094-R1096 VanDerWaalsContact C-N 3.33Å; L1094-R1096 PolarHBondContact O-N 3Å; R1096-T1099 PolarHBondContact O-N 2.65Å; R1096-S1100 WeakPolarHBondContact O-CB 3.4Å; R1096-S1100 PolarHBondContact O-N 2.98Å |
| 1097 | A | 90.3 | Very high | 90.6 | Very high | 58 Ų | 58 | 93.2 Ų | 93.2 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1093 L1094 T1099 S1100 H1101 | E1093-A1097 WeakPolarHBondContact O-CB 3.42Å; E1093-A1097 PolarHBondContact O-N 3.06Å; L1094-A1097 PolarHBondContact O-N 2.87Å; A1097-T1099 PolarHBondContact O-N 2.99Å; A1097-S1100 WeakPolarHBondContact O-CB 3.26Å; A1097-S1100 PolarHBondContact O-N 3.05Å; A1097-H1101 WeakPolarHBondContact O-CB 3.08Å; A1097-H1101 PolarHBondContact O-N 2.6Å |
| 1098 | Q | 85.8 | Confident | 90.5 | Very high | 118 Ų | 118 | 91.3 Ų | 91.3 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.8 | -39.4 | 174.5 | -74.7 | 177.2 | -2.8 | 0 | 0 | 112.3 | L1094 H1101 A1102 | L1094-Q1098 HydrophobicContact CD1-CG 4.25Å; L1094-Q1098 HydrophobicContact CG-CG 4.49Å; L1094-Q1098 WeakPolarHBondContact O-CB 3.32Å; L1094-Q1098 VanDerWaalsContact O-CG 3.28Å; L1094-Q1098 WeakPolarHBondContact O-CG 3.42Å; L1094-Q1098 PolarHBondContact O-N 3.37Å; Q1098-H1101 PolarHBondContact O-N 2.7Å; Q1098-A1102 VanDerWaalsContact O-CB 3.32Å; Q1098-A1102 WeakPolarHBondContact O-CB 3.46Å; Q1098-A1102 PolarHBondContact O-N 2.98Å |
| 1099 | T | 91.3 | Very high | 90.6 | Very high | 82 Ų | 82 | 92.5 Ų | 92.5 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 174.8 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | C1095 R1096 A1097 A1102 N1103 | C1095-T1099 WeakPolarHBondContact O-CB 3.44Å; C1095-T1099 PolarHBondContact O-N 2.98Å; C1095-T1099 PolarHBondContact O-OG1 2.88Å; R1096-T1099 PolarHBondContact O-N 2.65Å; A1097-T1099 PolarHBondContact O-N 2.99Å; T1099-A1102 PolarHBondContact O-N 2.86Å; T1099-N1103 VanDerWaalsContact O-CG 3.29Å; T1099-N1103 PolarHBondContact O-N 2.88Å |
| 1100 | S | 91.7 | Very high | 90.7 | Very high | 72 Ų | 72 | 94 Ų | 94 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 174.6 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | R1096 A1097 A1102 N1103 L1104 | R1096-S1100 WeakPolarHBondContact O-CB 3.4Å; R1096-S1100 PolarHBondContact O-N 2.98Å; A1097-S1100 WeakPolarHBondContact O-CB 3.26Å; A1097-S1100 PolarHBondContact O-N 3.05Å; S1100-A1102 VanDerWaalsContact C-N 3.32Å; S1100-A1102 PolarHBondContact O-N 2.98Å; S1100-N1103 PolarHBondContact O-N 3.04Å; S1100-L1104 WeakPolarHBondContact O-CB 3.5Å; S1100-L1104 PolarHBondContact O-N 3.06Å |
| 1101 | H | 86.9 | Confident | 90.6 | Very high | 116 Ų | 116 | 92.6 Ų | 92.6 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -35.3 | 176.2 | -173.2 | -40.5 | 0 | 0 | 0 | 112.4 | A1097 Q1098 R1105 | A1097-H1101 WeakPolarHBondContact O-CB 3.08Å; A1097-H1101 PolarHBondContact O-N 2.6Å; Q1098-H1101 PolarHBondContact O-N 2.7Å; H1101-R1105 WeakPolarHBondContact O-CB 3.45Å; H1101-R1105 PolarHBondContact O-N 3.16Å |
| 1102 | A | 91.1 | Very high | 90.7 | Very high | 57 Ų | 57 | 95.7 Ų | 95.7 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1098 T1099 S1100 A1106 | Q1098-A1102 VanDerWaalsContact O-CB 3.32Å; Q1098-A1102 WeakPolarHBondContact O-CB 3.46Å; Q1098-A1102 PolarHBondContact O-N 2.98Å; T1099-A1102 PolarHBondContact O-N 2.86Å; S1100-A1102 VanDerWaalsContact C-N 3.32Å; S1100-A1102 PolarHBondContact O-N 2.98Å; A1102-A1106 PolarHBondContact O-N 3.25Å |
| 1103 | N | 91.5 | Very high | 90.6 | Very high | 95 Ų | 95 | 94.6 Ų | 94.6 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -49.7 | 173.5 | -65.4 | -13.1 | 0 | 0 | 0 | 110.9 | T1099 S1100 R1105 A1106 D1107 | T1099-N1103 VanDerWaalsContact O-CG 3.29Å; T1099-N1103 PolarHBondContact O-N 2.88Å; S1100-N1103 PolarHBondContact O-N 3.04Å; N1103-R1105 VanDerWaalsContact C-N 3.28Å; N1103-R1105 PolarHBondContact O-N 2.98Å; N1103-A1106 CarbonylContact O-C 3.58Å; N1103-A1106 WeakPolarHBondContact O-CA 3.49Å; N1103-A1106 WeakPolarHBondContact O-CB 3.28Å; N1103-A1106 PolarHBondContact O-N 3.25Å; N1103-D1107 PolarHBondContact O-N 3.42Å |
| 1104 | L | 91.3 | Very high | 90.8 | Very high | 125 Ų | 125 | 96 Ų | 96 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.8 | -38.4 | -179.9 | -144.3 | 77.4 | 0 | 0 | 0 | 112.2 | S1100 D1107 A1108 | S1100-L1104 WeakPolarHBondContact O-CB 3.5Å; S1100-L1104 PolarHBondContact O-N 3.06Å; L1104-D1107 PolarHBondContact O-N 3.07Å; L1104-A1108 WeakPolarHBondContact O-CB 3.33Å; L1104-A1108 PolarHBondContact O-N 3.25Å |
| 1105 | R | 91.1 | Very high | 90.7 | Very high | 170 Ų | 170 | 97.7 Ų | 97.7 | 64% | 0.642 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65 | -43.9 | 172.1 | 172.7 | 174.3 | -92.9 | 150.9 | -5.1 | 111.8 | H1101 N1103 D1107 A1108 E1109 | H1101-R1105 WeakPolarHBondContact O-CB 3.45Å; H1101-R1105 PolarHBondContact O-N 3.16Å; N1103-R1105 VanDerWaalsContact C-N 3.28Å; N1103-R1105 PolarHBondContact O-N 2.98Å; R1105-D1107 VanDerWaalsContact C-N 3.31Å; R1105-D1107 PolarHBondContact O-N 2.89Å; R1105-A1108 PolarHBondContact O-N 3.26Å; R1105-E1109 WeakPolarHBondContact O-CB 3.42Å; R1105-E1109 PolarHBondContact O-N 3.06Å |
| 1106 | A | 90.9 | Very high | 90.8 | Very high | 35 Ų | 35 | 100.2 Ų | 100.2 | 29% | 0.289 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.2 | -29.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1102 N1103 K1110 | A1102-A1106 PolarHBondContact O-N 3.25Å; N1103-A1106 CarbonylContact O-C 3.58Å; N1103-A1106 WeakPolarHBondContact O-CA 3.49Å; N1103-A1106 WeakPolarHBondContact O-CB 3.28Å; N1103-A1106 PolarHBondContact O-N 3.25Å; A1106-K1110 WeakPolarHBondContact O-CE 3.01Å; A1106-K1110 VanDerWaalsContact O-CG 3.25Å; A1106-K1110 WeakPolarHBondContact O-CG 3.09Å; A1106-K1110 PolarHBondContact O-N 3.1Å; A1106-K1110 VanDerWaalsContact O-N 3.14Å |
| 1107 | D | 90.6 | Very high | 90.9 | Very high | 82 Ų | 82 | 100.1 Ų | 100.1 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -78.3 | -36.2 | 174.2 | -67.8 | -37.9 | 0 | 0 | 0 | 111.9 | N1103 L1104 R1105 K1110 A1111 | N1103-D1107 PolarHBondContact O-N 3.42Å; L1104-D1107 PolarHBondContact O-N 3.07Å; R1105-D1107 VanDerWaalsContact C-N 3.31Å; R1105-D1107 PolarHBondContact O-N 2.89Å; D1107-K1110 PolarHBondContact O-N 3.1Å; D1107-K1110 IonicContact OD1-NZ 3.19Å; D1107-K1110 PolarHBondContact OD1-NZ 2.81Å; D1107-A1111 WeakPolarHBondContact O-CB 3.37Å; D1107-A1111 PolarHBondContact O-N 2.83Å |
| 1108 | A | 90 | Very high | 90.9 | Very high | 59 Ų | 59 | 101.3 Ų | 101.3 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1104 R1105 A1111 Q1112 | L1104-A1108 WeakPolarHBondContact O-CB 3.33Å; L1104-A1108 PolarHBondContact O-N 3.25Å; R1105-A1108 PolarHBondContact O-N 3.26Å; A1108-A1111 PolarHBondContact O-N 3.31Å; A1108-Q1112 WeakPolarHBondContact O-CB 3.49Å; A1108-Q1112 PolarHBondContact O-N 2.78Å |
| 1109 | E | 91.8 | Very high | 91.3 | Very high | 120 Ų | 120 | 98.1 Ų | 98.1 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 174.7 | -172 | 169.8 | -154.1 | 0 | 0 | 111.4 | R1105 Q1112 E1113 | R1105-E1109 WeakPolarHBondContact O-CB 3.42Å; R1105-E1109 PolarHBondContact O-N 3.06Å; E1109-Q1112 PolarHBondContact O-N 2.98Å; E1109-E1113 PolarHBondContact O-N 2.96Å |
| 1110 | K | 92.6 | Very high | 91.3 | Very high | 110 Ų | 110 | 98.2 Ų | 98.2 | 48% | 0.478 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 171.2 | -68.5 | 163.7 | -151.9 | 162.3 | 0 | 112.6 | A1106 D1107 Q1112 E1113 Q1114 | A1106-K1110 WeakPolarHBondContact O-CE 3.01Å; A1106-K1110 VanDerWaalsContact O-CG 3.25Å; A1106-K1110 WeakPolarHBondContact O-CG 3.09Å; A1106-K1110 PolarHBondContact O-N 3.1Å; A1106-K1110 VanDerWaalsContact O-N 3.14Å; D1107-K1110 PolarHBondContact O-N 3.1Å; D1107-K1110 IonicContact OD1-NZ 3.19Å; D1107-K1110 PolarHBondContact OD1-NZ 2.81Å; K1110-Q1112 VanDerWaalsContact C-N 3.32Å; K1110-E1113 PolarHBondContact O-N 2.72Å; K1110-Q1114 WeakPolarHBondContact O-CB 3.31Å; K1110-Q1114 WeakPolarHBondContact O-CG 3.18Å; K1110-Q1114 PolarHBondContact O-N 3.35Å |
| 1111 | A | 92.1 | Very high | 91.4 | Very high | 51 Ų | 51 | 100.2 Ų | 100.2 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1107 A1108 Q1114 Q1115 | D1107-A1111 WeakPolarHBondContact O-CB 3.37Å; D1107-A1111 PolarHBondContact O-N 2.83Å; A1108-A1111 PolarHBondContact O-N 3.31Å; A1111-Q1114 PolarHBondContact O-N 2.95Å; A1111-Q1115 WeakPolarHBondContact O-CB 3.4Å; A1111-Q1115 PolarHBondContact O-N 3.18Å |
| 1112 | Q | 91.7 | Very high | 91.7 | Very high | 138 Ų | 138 | 100.5 Ų | 100.5 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 172.8 | -172.5 | 176.2 | 0.1 | 0 | 0 | 112 | A1108 E1109 K1110 Q1114 Q1115 Q1116 | A1108-Q1112 WeakPolarHBondContact O-CB 3.49Å; A1108-Q1112 PolarHBondContact O-N 2.78Å; E1109-Q1112 PolarHBondContact O-N 2.98Å; K1110-Q1112 VanDerWaalsContact C-N 3.32Å; Q1112-Q1114 VanDerWaalsContact C-N 3.33Å; Q1112-Q1114 PolarHBondContact O-N 2.96Å; Q1112-Q1115 PolarHBondContact O-N 3.09Å; Q1112-Q1116 WeakPolarHBondContact O-CB 3.26Å; Q1112-Q1116 PolarHBondContact O-N 3.26Å |
| 1113 | E | 89.8 | Confident | 91.8 | Very high | 92 Ų | 92 | 101.3 Ų | 101.3 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 171.3 | -80.1 | -166.8 | -144.6 | 0 | 0 | 112 | E1109 K1110 Q1116 R1117 | E1109-E1113 PolarHBondContact O-N 2.96Å; K1110-E1113 PolarHBondContact O-N 2.72Å; E1113-Q1116 PolarHBondContact O-N 2.82Å; E1113-R1117 VanDerWaalsContact O-CG 3.22Å; E1113-R1117 WeakPolarHBondContact O-CG 3.44Å; E1113-R1117 PolarHBondContact O-N 2.74Å; E1113-R1117 IonicContact OE2-CZ 2.61Å; E1113-R1117 IonicContact OE2-NE 2.61Å; E1113-R1117 IonicContact OE2-NH2 2.8Å; E1113-R1117 PolarHBondContact OE2-NH2 3.11Å |
| 1114 | Q | 91 | Very high | 91.9 | Very high | 128 Ų | 128 | 102.3 Ų | 102.3 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 176.6 | -75.9 | 175.4 | -10.4 | 0 | 0 | 111.2 | K1110 A1111 Q1112 Q1116 R1117 V1118 | K1110-Q1114 WeakPolarHBondContact O-CB 3.31Å; K1110-Q1114 WeakPolarHBondContact O-CG 3.18Å; K1110-Q1114 PolarHBondContact O-N 3.35Å; A1111-Q1114 PolarHBondContact O-N 2.95Å; Q1112-Q1114 VanDerWaalsContact C-N 3.33Å; Q1112-Q1114 PolarHBondContact O-N 2.96Å; Q1114-Q1116 VanDerWaalsContact C-N 3.32Å; Q1114-Q1116 PolarHBondContact O-N 3.26Å; Q1114-R1117 PolarHBondContact O-N 2.94Å; Q1114-V1118 WeakPolarHBondContact O-CG2 3Å; Q1114-V1118 PolarHBondContact O-N 2.9Å |
| 1115 | Q | 90.7 | Very high | 92 | Very high | 133 Ų | 133 | 101.6 Ų | 101.6 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.3 | -39.9 | 176.3 | -172.9 | 64.1 | 8.6 | 0 | 0 | 111.9 | A1111 Q1112 V1118 A1119 | A1111-Q1115 WeakPolarHBondContact O-CB 3.4Å; A1111-Q1115 PolarHBondContact O-N 3.18Å; Q1112-Q1115 PolarHBondContact O-N 3.09Å; Q1115-V1118 PolarHBondContact O-N 3.29Å; Q1115-A1119 WeakPolarHBondContact O-CB 3.48Å; Q1115-A1119 PolarHBondContact O-N 3.16Å |
| 1116 | Q | 92.6 | Very high | 92.1 | Very high | 118 Ų | 118 | 98.6 Ų | 98.6 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.1 | -41.7 | 174.5 | -176.8 | 173.2 | -15.8 | 0 | 0 | 111.9 | Q1112 E1113 Q1114 V1118 A1119 E1120 | Q1112-Q1116 WeakPolarHBondContact O-CB 3.26Å; Q1112-Q1116 PolarHBondContact O-N 3.26Å; E1113-Q1116 PolarHBondContact O-N 2.82Å; Q1114-Q1116 VanDerWaalsContact C-N 3.32Å; Q1114-Q1116 PolarHBondContact O-N 3.26Å; Q1116-V1118 VanDerWaalsContact C-N 3.34Å; Q1116-V1118 PolarHBondContact O-N 3.02Å; Q1116-A1119 PolarHBondContact O-N 3.28Å; Q1116-E1120 PolarHBondContact O-N 2.99Å |
| 1117 | R | 93.5 | Very high | 92.2 | Very high | 143 Ų | 143 | 100.7 Ų | 100.7 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 174.8 | -68 | 168.6 | -160.5 | -165 | 8 | 112.1 | E1113 Q1114 E1120 L1121 | E1113-R1117 VanDerWaalsContact O-CG 3.22Å; E1113-R1117 WeakPolarHBondContact O-CG 3.44Å; E1113-R1117 PolarHBondContact O-N 2.74Å; E1113-R1117 IonicContact OE2-CZ 2.61Å; E1113-R1117 IonicContact OE2-NE 2.61Å; E1113-R1117 IonicContact OE2-NH2 2.8Å; E1113-R1117 PolarHBondContact OE2-NH2 3.11Å; Q1114-R1117 PolarHBondContact O-N 2.94Å; R1117-E1120 PolarHBondContact O-N 2.9Å; R1117-L1121 WeakPolarHBondContact O-CB 3.39Å; R1117-L1121 VanDerWaalsContact O-CG 3.25Å; R1117-L1121 WeakPolarHBondContact O-CG 2.96Å; R1117-L1121 PolarHBondContact O-N 2.87Å |
| 1118 | V | 92.1 | Very high | 92.2 | Very high | 84 Ų | 84 | 99.2 Ų | 99.2 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 173.4 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | Q1114 Q1115 Q1116 L1121 H1122 | Q1114-V1118 WeakPolarHBondContact O-CG2 3Å; Q1114-V1118 PolarHBondContact O-N 2.9Å; Q1115-V1118 PolarHBondContact O-N 3.29Å; Q1116-V1118 VanDerWaalsContact C-N 3.34Å; Q1116-V1118 PolarHBondContact O-N 3.02Å; V1118-L1121 PolarHBondContact O-N 3.14Å; V1118-H1122 WeakPolarHBondContact O-CB 3.46Å; V1118-H1122 PolarHBondContact O-N 3Å |
| 1119 | A | 92.5 | Very high | 92.3 | Very high | 50 Ų | 50 | 100.9 Ų | 100.9 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1115 Q1116 L1121 H1122 S1123 | Q1115-A1119 WeakPolarHBondContact O-CB 3.48Å; Q1115-A1119 PolarHBondContact O-N 3.16Å; Q1116-A1119 PolarHBondContact O-N 3.28Å; A1119-L1121 PolarHBondContact O-N 3.5Å; A1119-H1122 WeakPolarHBondContact O-CB 2.92Å; A1119-H1122 PolarHBondContact O-N 3.24Å; A1119-S1123 PolarHBondContact O-N 2.9Å; A1119-S1123 PolarHBondContact O-OG 3.19Å |
| 1120 | E | 91.9 | Very high | 92.3 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 173.5 | -81.2 | -172.7 | -140.3 | 0 | 0 | 113 | Q1116 R1117 S1123 K1124 | Q1116-E1120 PolarHBondContact O-N 2.99Å; R1117-E1120 PolarHBondContact O-N 2.9Å; E1120-S1123 PolarHBondContact O-N 3.27Å; E1120-K1124 WeakPolarHBondContact O-CB 3.45Å; E1120-K1124 VanDerWaalsContact O-CD 3.3Å; E1120-K1124 WeakPolarHBondContact O-CD 2.93Å; E1120-K1124 WeakPolarHBondContact O-CG 3.48Å; E1120-K1124 PolarHBondContact O-N 3.4Å; E1120-K1124 IonicContact OE2-NZ 2.74Å; E1120-K1124 PolarHBondContact OE2-NZ 2.97Å |
| 1121 | L | 94.2 | Very high | 92.4 | Very high | 113 Ų | 113 | 100.2 Ų | 100.2 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -38.5 | 176.1 | -74.6 | 169.5 | 0 | 0 | 0 | 111.2 | R1117 V1118 A1119 K1124 L1125 | R1117-L1121 WeakPolarHBondContact O-CB 3.39Å; R1117-L1121 VanDerWaalsContact O-CG 3.25Å; R1117-L1121 WeakPolarHBondContact O-CG 2.96Å; R1117-L1121 PolarHBondContact O-N 2.87Å; V1118-L1121 PolarHBondContact O-N 3.14Å; A1119-L1121 PolarHBondContact O-N 3.5Å; L1121-K1124 PolarHBondContact O-N 3Å; L1121-L1125 WeakPolarHBondContact O-CB 2.98Å; L1121-L1125 PolarHBondContact O-N 3.3Å |
| 1122 | H | 93.1 | Very high | 92.4 | Very high | 122 Ų | 122 | 102.1 Ų | 102.1 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 173.7 | -171.5 | -66.5 | 0 | 0 | 0 | 111.7 | V1118 A1119 K1124 L1125 Q1126 | V1118-H1122 WeakPolarHBondContact O-CB 3.46Å; V1118-H1122 PolarHBondContact O-N 3Å; A1119-H1122 WeakPolarHBondContact O-CB 2.92Å; A1119-H1122 PolarHBondContact O-N 3.24Å; H1122-K1124 VanDerWaalsContact C-N 3.34Å; H1122-K1124 PolarHBondContact O-N 3.27Å; H1122-L1125 PolarHBondContact O-N 3.45Å; H1122-Q1126 WeakPolarHBondContact O-CB 3.25Å; H1122-Q1126 PolarHBondContact O-N 3.31Å |
| 1123 | S | 92.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 100.7 Ų | 100.7 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 175.5 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | A1119 E1120 S1127 | A1119-S1123 PolarHBondContact O-N 2.9Å; A1119-S1123 PolarHBondContact O-OG 3.19Å; E1120-S1123 PolarHBondContact O-N 3.27Å; S1123-S1127 WeakPolarHBondContact O-CB 3.34Å; S1123-S1127 PolarHBondContact O-N 3.37Å |
| 1124 | K | 94.2 | Very high | 92.7 | Very high | 116 Ų | 116 | 98.5 Ų | 98.5 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 174.6 | -72.3 | 159.7 | -168.4 | 155.8 | 0 | 111.5 | E1120 L1121 H1122 S1127 S1128 | E1120-K1124 WeakPolarHBondContact O-CB 3.45Å; E1120-K1124 VanDerWaalsContact O-CD 3.3Å; E1120-K1124 WeakPolarHBondContact O-CD 2.93Å; E1120-K1124 WeakPolarHBondContact O-CG 3.48Å; E1120-K1124 PolarHBondContact O-N 3.4Å; E1120-K1124 IonicContact OE2-NZ 2.74Å; E1120-K1124 PolarHBondContact OE2-NZ 2.97Å; L1121-K1124 PolarHBondContact O-N 3Å; H1122-K1124 VanDerWaalsContact C-N 3.34Å; H1122-K1124 PolarHBondContact O-N 3.27Å; K1124-S1127 WeakPolarHBondContact O-CB 3.15Å; K1124-S1127 PolarHBondContact O-N 3.49Å; K1124-S1128 PolarHBondContact O-N 3.36Å; K1124-S1128 PolarHBondContact O-OG 2.89Å |
| 1125 | L | 93.3 | Very high | 92.8 | Very high | 111 Ų | 111 | 97 Ų | 97 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -50.4 | 175.3 | 180 | 62.6 | 0 | 0 | 0 | 110.9 | L1121 H1122 S1127 S1128 E1129 | L1121-L1125 WeakPolarHBondContact O-CB 2.98Å; L1121-L1125 PolarHBondContact O-N 3.3Å; H1122-L1125 PolarHBondContact O-N 3.45Å; L1125-S1127 VanDerWaalsContact C-N 3.31Å; L1125-S1127 PolarHBondContact O-N 3.17Å; L1125-S1128 WeakPolarHBondContact CA-OG 3.48Å; L1125-S1128 CarbonylContact O-C 3.58Å; L1125-S1128 PolarHBondContact O-N 3.35Å; L1125-S1128 VanDerWaalsContact O-N 3.1Å; L1125-S1128 PolarHBondContact O-OG 3.33Å; L1125-E1129 WeakPolarHBondContact O-CB 3.01Å; L1125-E1129 PolarHBondContact O-N 2.89Å |
| 1126 | Q | 94.3 | Very high | 92.9 | Very high | 106 Ų | 106 | 93.9 Ų | 93.9 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 177.7 | -170 | 177.2 | 17 | 0 | 0 | 112.1 | H1122 E1129 V1130 | H1122-Q1126 WeakPolarHBondContact O-CB 3.25Å; H1122-Q1126 PolarHBondContact O-N 3.31Å; Q1126-E1129 PolarHBondContact O-N 2.86Å; Q1126-V1130 WeakPolarHBondContact O-CG2 3.31Å; Q1126-V1130 PolarHBondContact O-N 2.94Å |
| 1127 | S | 92 | Very high | 92.9 | Very high | 79 Ų | 79 | 94.3 Ų | 94.3 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 172.7 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | S1123 K1124 L1125 E1129 V1130 E1131 | S1123-S1127 WeakPolarHBondContact O-CB 3.34Å; S1123-S1127 PolarHBondContact O-N 3.37Å; K1124-S1127 WeakPolarHBondContact O-CB 3.15Å; K1124-S1127 PolarHBondContact O-N 3.49Å; L1125-S1127 VanDerWaalsContact C-N 3.31Å; L1125-S1127 PolarHBondContact O-N 3.17Å; S1127-E1129 VanDerWaalsContact C-N 3.32Å; S1127-E1129 PolarHBondContact O-N 3.21Å; S1127-V1130 PolarHBondContact O-N 3.19Å; S1127-E1131 PolarHBondContact O-N 3.45Å |
| 1128 | S | 89.9 | Confident | 92.9 | Very high | 51 Ų | 51 | 91.5 Ų | 91.5 | 36% | 0.357 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69 | -28.7 | 176.5 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | K1124 L1125 E1131 V1132 | K1124-S1128 PolarHBondContact O-N 3.36Å; K1124-S1128 PolarHBondContact O-OG 2.89Å; L1125-S1128 WeakPolarHBondContact CA-OG 3.48Å; L1125-S1128 CarbonylContact O-C 3.58Å; L1125-S1128 PolarHBondContact O-N 3.35Å; L1125-S1128 VanDerWaalsContact O-N 3.1Å; L1125-S1128 PolarHBondContact O-OG 3.33Å; S1128-E1131 PolarHBondContact O-N 3.03Å; S1128-V1132 WeakPolarHBondContact O-CB 3.28Å; S1128-V1132 VanDerWaalsContact O-CG2 3.24Å; S1128-V1132 WeakPolarHBondContact O-CG2 3.49Å; S1128-V1132 PolarHBondContact O-N 3.42Å |
| 1129 | E | 92.9 | Very high | 92.9 | Very high | 94 Ų | 94 | 92.9 Ų | 92.9 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 175.2 | -165.9 | -166.1 | 153.5 | 0 | 0 | 111.3 | L1125 Q1126 S1127 K1133 | L1125-E1129 WeakPolarHBondContact O-CB 3.01Å; L1125-E1129 PolarHBondContact O-N 2.89Å; Q1126-E1129 PolarHBondContact O-N 2.86Å; S1127-E1129 VanDerWaalsContact C-N 3.32Å; S1127-E1129 PolarHBondContact O-N 3.21Å; E1129-K1133 WeakPolarHBondContact O-CB 3.34Å; E1129-K1133 VanDerWaalsContact O-CG 3.26Å; E1129-K1133 WeakPolarHBondContact O-CG 3.35Å; E1129-K1133 PolarHBondContact O-N 3.39Å; E1129-K1133 VanDerWaalsContact OE1-CE 3.28Å; E1129-K1133 WeakPolarHBondContact OE1-CE 2.9Å; E1129-K1133 IonicContact OE1-NZ 2.78Å; E1129-K1133 PolarHBondContact OE1-NZ 3.2Å |
| 1130 | V | 92.7 | Very high | 92.9 | Very high | 93 Ų | 93 | 94.3 Ų | 94.3 | 56% | 0.564 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 172.1 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | Q1126 S1127 K1133 S1134 | Q1126-V1130 WeakPolarHBondContact O-CG2 3.31Å; Q1126-V1130 PolarHBondContact O-N 2.94Å; S1127-V1130 PolarHBondContact O-N 3.19Å; V1130-K1133 PolarHBondContact O-N 3.11Å; V1130-S1134 WeakPolarHBondContact O-CB 3.35Å; V1130-S1134 PolarHBondContact O-N 2.95Å |
| 1131 | E | 93.5 | Very high | 92.9 | Very high | 124 Ų | 124 | 93.7 Ų | 93.7 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 175.3 | -172.5 | 174 | -169.1 | 0 | 0 | 111.7 | S1127 S1128 S1134 K1135 | S1127-E1131 PolarHBondContact O-N 3.45Å; S1128-E1131 PolarHBondContact O-N 3.03Å; E1131-S1134 PolarHBondContact O-N 2.73Å; E1131-K1135 WeakPolarHBondContact O-CB 2.96Å; E1131-K1135 VanDerWaalsContact O-CG 3.3Å; E1131-K1135 WeakPolarHBondContact O-CG 3.34Å; E1131-K1135 PolarHBondContact O-N 3.4Å |
| 1132 | V | 93.2 | Very high | 92.9 | Very high | 91 Ų | 91 | 93 Ų | 93 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 174.7 | 166.9 | 0 | 0 | 0 | 0 | 111.7 | S1128 K1135 C1136 | S1128-V1132 WeakPolarHBondContact O-CB 3.28Å; S1128-V1132 VanDerWaalsContact O-CG2 3.24Å; S1128-V1132 WeakPolarHBondContact O-CG2 3.49Å; S1128-V1132 PolarHBondContact O-N 3.42Å; V1132-K1135 PolarHBondContact O-N 2.93Å; V1132-C1136 PolarHBondContact O-N 2.96Å; V1132-C1136 PolarHBondContact O-SG 3.13Å; V1132-C1136 VanDerWaalsContact O-SG 3.36Å |
| 1133 | K | 94.4 | Very high | 92.9 | Very high | 107 Ų | 107 | 92.6 Ų | 92.6 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 174.8 | -76.5 | 169.9 | -174.9 | 172.6 | 0 | 111.7 | E1129 V1130 K1135 C1136 E1137 | E1129-K1133 WeakPolarHBondContact O-CB 3.34Å; E1129-K1133 VanDerWaalsContact O-CG 3.26Å; E1129-K1133 WeakPolarHBondContact O-CG 3.35Å; E1129-K1133 PolarHBondContact O-N 3.39Å; E1129-K1133 VanDerWaalsContact OE1-CE 3.28Å; E1129-K1133 WeakPolarHBondContact OE1-CE 2.9Å; E1129-K1133 IonicContact OE1-NZ 2.78Å; E1129-K1133 PolarHBondContact OE1-NZ 3.2Å; V1130-K1133 PolarHBondContact O-N 3.11Å; K1133-K1135 VanDerWaalsContact C-N 3.29Å; K1133-K1135 PolarHBondContact O-N 3.49Å; K1133-C1136 CarbonylContact O-C 3.58Å; K1133-C1136 WeakPolarHBondContact O-CA 3.05Å; K1133-C1136 WeakPolarHBondContact O-CB 3.47Å; K1133-C1136 PolarHBondContact O-N 2.99Å; K1133-E1137 WeakPolarHBondContact O-CG 3.17Å; K1133-E1137 PolarHBondContact O-N 2.86Å |
| 1134 | S | 93.5 | Very high | 93 | Very high | 47 Ų | 47 | 90.7 Ų | 90.7 | 33% | 0.329 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58 | -39.7 | 174.3 | 175.2 | 0 | 0 | 0 | 0 | 112 | V1130 E1131 E1137 E1138 | V1130-S1134 WeakPolarHBondContact O-CB 3.35Å; V1130-S1134 PolarHBondContact O-N 2.95Å; E1131-S1134 PolarHBondContact O-N 2.73Å; S1134-E1137 PolarHBondContact O-N 3.42Å; S1134-E1138 WeakPolarHBondContact O-CG 3.44Å; S1134-E1138 PolarHBondContact O-N 3.05Å |
| 1135 | K | 93.4 | Very high | 93 | Very high | 95 Ų | 95 | 90.6 Ų | 90.6 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.8 | -32.5 | 174 | -67.9 | -67.3 | 166.8 | -139.9 | 0 | 113.5 | E1131 V1132 K1133 E1138 L1139 | E1131-K1135 WeakPolarHBondContact O-CB 2.96Å; E1131-K1135 VanDerWaalsContact O-CG 3.3Å; E1131-K1135 WeakPolarHBondContact O-CG 3.34Å; E1131-K1135 PolarHBondContact O-N 3.4Å; V1132-K1135 PolarHBondContact O-N 2.93Å; K1133-K1135 VanDerWaalsContact C-N 3.29Å; K1133-K1135 PolarHBondContact O-N 3.49Å; K1135-E1138 WeakPolarHBondContact CD-OE2 3.18Å; K1135-E1138 IonicContact NZ-OE1 2.76Å; K1135-E1138 PolarHBondContact NZ-OE1 3.33Å; K1135-E1138 IonicContact NZ-OE2 3.87Å; K1135-E1138 PolarHBondContact NZ-OE2 2.97Å; K1135-L1139 VanDerWaalsContact O-CB 3.28Å; K1135-L1139 WeakPolarHBondContact O-CB 3.46Å; K1135-L1139 WeakPolarHBondContact O-CG 3.46Å; K1135-L1139 PolarHBondContact O-N 3.42Å |
| 1136 | C | 91.9 | Very high | 93 | Very high | 68 Ų | 68 | 90.7 Ų | 90.7 | 46% | 0.459 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -34.8 | 170.4 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | V1132 K1133 S1140 | V1132-C1136 PolarHBondContact O-N 2.96Å; V1132-C1136 PolarHBondContact O-SG 3.13Å; V1132-C1136 VanDerWaalsContact O-SG 3.36Å; K1133-C1136 CarbonylContact O-C 3.58Å; K1133-C1136 WeakPolarHBondContact O-CA 3.05Å; K1133-C1136 WeakPolarHBondContact O-CB 3.47Å; K1133-C1136 PolarHBondContact O-N 2.99Å; C1136-S1140 VanDerWaalsContact O-CB 3.26Å; C1136-S1140 WeakPolarHBondContact O-CB 3.2Å; C1136-S1140 PolarHBondContact O-N 2.71Å; C1136-S1140 PolarHBondContact O-OG 3.33Å |
| 1137 | E | 91.9 | Very high | 93 | Very high | 127 Ų | 127 | 91.7 Ų | 91.7 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.7 | -43.7 | 174.4 | -70.4 | 161 | -166.8 | 0 | 0 | 111.6 | K1133 S1134 S1140 S1141 | K1133-E1137 WeakPolarHBondContact O-CG 3.17Å; K1133-E1137 PolarHBondContact O-N 2.86Å; S1134-E1137 PolarHBondContact O-N 3.42Å; E1137-S1140 PolarHBondContact O-N 3.45Å; E1137-S1141 WeakPolarHBondContact O-CB 3.43Å; E1137-S1141 PolarHBondContact O-N 3.06Å; E1137-S1141 PolarHBondContact O-OG 2.83Å |
| 1138 | E | 93.6 | Very high | 93 | Very high | 84 Ų | 84 | 93.9 Ų | 93.9 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 169.3 | -76.5 | 176.1 | -151.1 | 0 | 0 | 111.6 | S1134 K1135 S1140 S1141 L1142 | S1134-E1138 WeakPolarHBondContact O-CG 3.44Å; S1134-E1138 PolarHBondContact O-N 3.05Å; K1135-E1138 WeakPolarHBondContact CD-OE2 3.18Å; K1135-E1138 IonicContact NZ-OE1 2.76Å; K1135-E1138 PolarHBondContact NZ-OE1 3.33Å; K1135-E1138 IonicContact NZ-OE2 3.87Å; K1135-E1138 PolarHBondContact NZ-OE2 2.97Å; E1138-S1140 VanDerWaalsContact C-N 3.32Å; E1138-S1140 PolarHBondContact O-N 2.84Å; E1138-S1141 WeakPolarHBondContact O-CB 3.38Å; E1138-S1141 PolarHBondContact O-N 3.07Å; E1138-L1142 WeakPolarHBondContact O-CB 3.3Å; E1138-L1142 WeakPolarHBondContact O-CG 3.22Å; E1138-L1142 PolarHBondContact O-N 3.46Å |
| 1139 | L | 92.6 | Very high | 93.2 | Very high | 113 Ų | 113 | 93.7 Ų | 93.7 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -36.6 | 178.6 | -76.2 | 169.9 | 0 | 0 | 0 | 112.3 | K1135 H1143 | K1135-L1139 VanDerWaalsContact O-CB 3.28Å; K1135-L1139 WeakPolarHBondContact O-CB 3.46Å; K1135-L1139 WeakPolarHBondContact O-CG 3.46Å; K1135-L1139 PolarHBondContact O-N 3.42Å; L1139-H1143 WeakPolarHBondContact O-CB 3.47Å; L1139-H1143 PolarHBondContact O-N 2.96Å |
| 1140 | S | 92.4 | Very high | 93.2 | Very high | 81 Ų | 81 | 98.5 Ų | 98.5 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -38.9 | 174.7 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | C1136 E1137 E1138 H1143 G1144 | C1136-S1140 VanDerWaalsContact O-CB 3.26Å; C1136-S1140 WeakPolarHBondContact O-CB 3.2Å; C1136-S1140 PolarHBondContact O-N 2.71Å; C1136-S1140 PolarHBondContact O-OG 3.33Å; E1137-S1140 PolarHBondContact O-N 3.45Å; E1138-S1140 VanDerWaalsContact C-N 3.32Å; E1138-S1140 PolarHBondContact O-N 2.84Å; S1140-H1143 PolarHBondContact O-N 3.3Å; S1140-G1144 PolarHBondContact O-N 2.99Å |
| 1141 | S | 92.5 | Very high | 93.2 | Very high | 71 Ų | 71 | 96.4 Ų | 96.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -46.8 | 176.2 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | E1137 E1138 H1143 G1144 Q1145 | E1137-S1141 WeakPolarHBondContact O-CB 3.43Å; E1137-S1141 PolarHBondContact O-N 3.06Å; E1137-S1141 PolarHBondContact O-OG 2.83Å; E1138-S1141 WeakPolarHBondContact O-CB 3.38Å; E1138-S1141 PolarHBondContact O-N 3.07Å; S1141-H1143 VanDerWaalsContact C-N 3.32Å; S1141-H1143 PolarHBondContact O-N 3.39Å; S1141-G1144 WeakPolarHBondContact O-CA 3.48Å; S1141-G1144 PolarHBondContact O-N 3.4Å; S1141-Q1145 WeakPolarHBondContact O-CG 3.13Å; S1141-Q1145 PolarHBondContact O-N 3.43Å |
| 1142 | L | 93.9 | Very high | 93.2 | Very high | 98 Ų | 98 | 95.8 Ų | 95.8 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 174.3 | -71.2 | 170.2 | 0 | 0 | 0 | 112 | E1138 Q1145 L1146 | E1138-L1142 WeakPolarHBondContact O-CB 3.3Å; E1138-L1142 WeakPolarHBondContact O-CG 3.22Å; E1138-L1142 PolarHBondContact O-N 3.46Å; L1142-Q1145 PolarHBondContact O-N 2.57Å; L1142-L1146 VanDerWaalsContact O-CB 3.24Å; L1142-L1146 WeakPolarHBondContact O-CB 3.47Å; L1142-L1146 PolarHBondContact O-N 2.87Å |
| 1143 | H | 93.6 | Very high | 93.1 | Very high | 115 Ų | 115 | 96.3 Ų | 96.3 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.9 | -32.2 | 174.1 | -178.6 | 69.9 | 0 | 0 | 0 | 112.4 | L1139 S1140 S1141 K1147 | L1139-H1143 WeakPolarHBondContact O-CB 3.47Å; L1139-H1143 PolarHBondContact O-N 2.96Å; S1140-H1143 PolarHBondContact O-N 3.3Å; S1141-H1143 VanDerWaalsContact C-N 3.32Å; S1141-H1143 PolarHBondContact O-N 3.39Å; H1143-K1147 WeakPolarHBondContact O-CB 3.24Å; H1143-K1147 WeakPolarHBondContact O-CG 3.48Å; H1143-K1147 PolarHBondContact O-N 2.87Å |
| 1144 | G | 93.3 | Very high | 93 | Very high | 34 Ų | 34 | 94 Ų | 94 | 35% | 0.351 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -55.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1140 S1141 L1146 K1147 E1148 | S1140-G1144 PolarHBondContact O-N 2.99Å; S1141-G1144 WeakPolarHBondContact O-CA 3.48Å; S1141-G1144 PolarHBondContact O-N 3.4Å; G1144-L1146 VanDerWaalsContact C-N 3.28Å; G1144-L1146 PolarHBondContact O-N 3.31Å; G1144-K1147 WeakPolarHBondContact O-CB 3.44Å; G1144-K1147 PolarHBondContact O-N 2.84Å; G1144-E1148 WeakPolarHBondContact O-CB 3.41Å; G1144-E1148 PolarHBondContact O-N 2.93Å |
| 1145 | Q | 94 | Very high | 93 | Very high | 114 Ų | 114 | 97.5 Ų | 97.5 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.9 | -38.5 | 176.6 | -68.6 | 170.7 | 5.8 | 0 | 0 | 112.4 | S1141 L1142 E1148 A1149 | S1141-Q1145 WeakPolarHBondContact O-CG 3.13Å; S1141-Q1145 PolarHBondContact O-N 3.43Å; L1142-Q1145 PolarHBondContact O-N 2.57Å; Q1145-E1148 PolarHBondContact O-N 3.11Å; Q1145-A1149 VanDerWaalsContact O-CB 3.27Å; Q1145-A1149 WeakPolarHBondContact O-CB 3.32Å; Q1145-A1149 PolarHBondContact O-N 3.44Å |
| 1146 | L | 93.3 | Very high | 93 | Very high | 113 Ų | 113 | 98 Ų | 98 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69 | -32.4 | 176.4 | -176.1 | 63.7 | 0 | 0 | 0 | 112.7 | L1142 G1144 R1150 | L1142-L1146 VanDerWaalsContact O-CB 3.24Å; L1142-L1146 WeakPolarHBondContact O-CB 3.47Å; L1142-L1146 PolarHBondContact O-N 2.87Å; G1144-L1146 VanDerWaalsContact C-N 3.28Å; G1144-L1146 PolarHBondContact O-N 3.31Å; L1146-R1150 WeakPolarHBondContact O-CB 3.23Å; L1146-R1150 PolarHBondContact O-N 3.4Å; L1146-R1150 VanDerWaalsContact O-N 3.12Å |
| 1147 | K | 94.2 | Very high | 93 | Very high | 126 Ų | 126 | 97.7 Ų | 97.7 | 55% | 0.548 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.4 | -42.8 | 171.6 | -85.2 | 168.1 | 161 | 162.6 | 0 | 111.6 | H1143 G1144 R1150 A1151 | H1143-K1147 WeakPolarHBondContact O-CB 3.24Å; H1143-K1147 WeakPolarHBondContact O-CG 3.48Å; H1143-K1147 PolarHBondContact O-N 2.87Å; G1144-K1147 WeakPolarHBondContact O-CB 3.44Å; G1144-K1147 PolarHBondContact O-N 2.84Å; K1147-R1150 PolarHBondContact O-N 2.97Å; K1147-A1151 WeakPolarHBondContact O-CB 3.44Å; K1147-A1151 PolarHBondContact O-N 3.28Å |
| 1148 | E | 92.9 | Very high | 93 | Very high | 125 Ų | 125 | 97.3 Ų | 97.3 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -56.1 | 177.8 | -172.9 | 164.7 | -136.7 | 0 | 0 | 110.8 | G1144 Q1145 R1150 A1151 E1152 | G1144-E1148 WeakPolarHBondContact O-CB 3.41Å; G1144-E1148 PolarHBondContact O-N 2.93Å; Q1145-E1148 PolarHBondContact O-N 3.11Å; E1148-R1150 PolarHBondContact O-N 3.06Å; E1148-R1150 VanDerWaalsContact O-N 3.16Å; E1148-A1151 CarbonylContact O-C 3.57Å; E1148-A1151 WeakPolarHBondContact O-CA 3.35Å; E1148-A1151 WeakPolarHBondContact O-CB 3.43Å; E1148-A1151 PolarHBondContact O-N 3.5Å; E1148-E1152 WeakPolarHBondContact O-CG 3.2Å; E1148-E1152 PolarHBondContact O-N 3.26Å |
| 1149 | A | 92.7 | Very high | 92.9 | Very high | 48 Ų | 48 | 101.4 Ų | 101.4 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.6 | -30.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1145 N1153 | Q1145-A1149 VanDerWaalsContact O-CB 3.27Å; Q1145-A1149 WeakPolarHBondContact O-CB 3.32Å; Q1145-A1149 PolarHBondContact O-N 3.44Å; A1149-N1153 WeakPolarHBondContact O-CB 3.48Å; A1149-N1153 PolarHBondContact O-N 2.85Å |
| 1150 | R | 93.6 | Very high | 92.9 | Very high | 194 Ų | 194 | 100.4 Ų | 100.4 | 73% | 0.732 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72 | -38.9 | 172.4 | -176.6 | 174.5 | -178.2 | 166.1 | 2.4 | 112.2 | L1146 K1147 E1148 N1153 S1154 | L1146-R1150 WeakPolarHBondContact O-CB 3.23Å; L1146-R1150 PolarHBondContact O-N 3.4Å; L1146-R1150 VanDerWaalsContact O-N 3.12Å; K1147-R1150 PolarHBondContact O-N 2.97Å; E1148-R1150 PolarHBondContact O-N 3.06Å; E1148-R1150 VanDerWaalsContact O-N 3.16Å; R1150-N1153 PolarHBondContact O-N 3.06Å; R1150-S1154 PolarHBondContact O-N 2.96Å; R1150-S1154 PolarHBondContact O-OG 2.92Å |
| 1151 | A | 92.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 103.1 Ų | 103.1 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1147 E1148 S1154 Q1155 | K1147-A1151 WeakPolarHBondContact O-CB 3.44Å; K1147-A1151 PolarHBondContact O-N 3.28Å; E1148-A1151 CarbonylContact O-C 3.57Å; E1148-A1151 WeakPolarHBondContact O-CA 3.35Å; E1148-A1151 WeakPolarHBondContact O-CB 3.43Å; E1148-A1151 PolarHBondContact O-N 3.5Å; A1151-S1154 PolarHBondContact O-N 3.22Å; A1151-Q1155 WeakPolarHBondContact O-CG 3.17Å; A1151-Q1155 PolarHBondContact O-N 3.15Å |
| 1152 | E | 93.7 | Very high | 92.8 | Very high | 112 Ų | 112 | 102.7 Ų | 102.7 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.4 | -48.1 | 170.5 | -68.9 | -178 | 148.2 | 0 | 0 | 111.3 | E1148 S1154 Q1155 L1156 | E1148-E1152 WeakPolarHBondContact O-CG 3.2Å; E1148-E1152 PolarHBondContact O-N 3.26Å; E1152-S1154 VanDerWaalsContact C-N 3.33Å; E1152-S1154 PolarHBondContact O-N 3.08Å; E1152-Q1155 CarbonylContact O-C 3.6Å; E1152-Q1155 PolarHBondContact O-N 3.21Å; E1152-Q1155 VanDerWaalsContact O-N 3.13Å; E1152-L1156 WeakPolarHBondContact O-CB 3.49Å; E1152-L1156 WeakPolarHBondContact O-CG 3.24Å; E1152-L1156 PolarHBondContact O-N 3.13Å |
| 1153 | N | 91.6 | Very high | 92.7 | Very high | 101 Ų | 101 | 102.6 Ų | 102.6 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -34 | -179.8 | -159.6 | -17.3 | 0 | 0 | 0 | 112.1 | A1149 R1150 L1156 T1157 | A1149-N1153 WeakPolarHBondContact O-CB 3.48Å; A1149-N1153 PolarHBondContact O-N 2.85Å; R1150-N1153 PolarHBondContact O-N 3.06Å; N1153-L1156 PolarHBondContact O-N 3.09Å; N1153-T1157 WeakPolarHBondContact O-CB 3.27Å; N1153-T1157 PolarHBondContact O-N 3.23Å; N1153-T1157 PolarHBondContact O-OG1 3.06Å |
| 1154 | S | 91.9 | Very high | 92.4 | Very high | 60 Ų | 60 | 102.2 Ų | 102.2 | 42% | 0.42 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 167.6 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | R1150 A1151 E1152 L1156 T1157 E1158 | R1150-S1154 PolarHBondContact O-N 2.96Å; R1150-S1154 PolarHBondContact O-OG 2.92Å; A1151-S1154 PolarHBondContact O-N 3.22Å; E1152-S1154 VanDerWaalsContact C-N 3.33Å; E1152-S1154 PolarHBondContact O-N 3.08Å; S1154-L1156 VanDerWaalsContact C-N 3.34Å; S1154-L1156 PolarHBondContact O-N 3.06Å; S1154-T1157 WeakPolarHBondContact O-CB 3.38Å; S1154-T1157 PolarHBondContact O-N 3.05Å; S1154-E1158 WeakPolarHBondContact O-CG 3.23Å; S1154-E1158 PolarHBondContact O-N 3.21Å |
| 1155 | Q | 93.2 | Very high | 92 | Very high | 119 Ų | 119 | 103.3 Ų | 103.3 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -37.5 | 176.4 | -71.5 | -179.1 | 28.7 | 0 | 0 | 112.5 | A1151 E1152 E1158 R1159 | A1151-Q1155 WeakPolarHBondContact O-CG 3.17Å; A1151-Q1155 PolarHBondContact O-N 3.15Å; E1152-Q1155 CarbonylContact O-C 3.6Å; E1152-Q1155 PolarHBondContact O-N 3.21Å; E1152-Q1155 VanDerWaalsContact O-N 3.13Å; Q1155-E1158 PolarHBondContact O-N 3.17Å; Q1155-R1159 WeakPolarHBondContact O-CB 3.44Å; Q1155-R1159 VanDerWaalsContact O-CG 3.28Å; Q1155-R1159 WeakPolarHBondContact O-CG 3.31Å; Q1155-R1159 PolarHBondContact O-N 3.28Å |
| 1156 | L | 93.6 | Very high | 91.6 | Very high | 106 Ų | 106 | 103.7 Ų | 103.7 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66 | -41 | 173.7 | -71.9 | 171 | 0 | 0 | 0 | 111 | E1152 N1153 S1154 E1158 R1159 I1160 | E1152-L1156 WeakPolarHBondContact O-CB 3.49Å; E1152-L1156 WeakPolarHBondContact O-CG 3.24Å; E1152-L1156 PolarHBondContact O-N 3.13Å; N1153-L1156 PolarHBondContact O-N 3.09Å; S1154-L1156 VanDerWaalsContact C-N 3.34Å; S1154-L1156 PolarHBondContact O-N 3.06Å; L1156-E1158 VanDerWaalsContact C-N 3.34Å; L1156-E1158 PolarHBondContact O-N 3.08Å; L1156-R1159 PolarHBondContact O-N 3.16Å; L1156-I1160 WeakPolarHBondContact O-CB 3.41Å; L1156-I1160 WeakPolarHBondContact O-CD1 3.39Å; L1156-I1160 VanDerWaalsContact O-CG1 3.24Å; L1156-I1160 WeakPolarHBondContact O-CG1 3.49Å; L1156-I1160 PolarHBondContact O-N 3.12Å |
| 1157 | T | 92.1 | Very high | 91 | Very high | 62 Ų | 62 | 103.7 Ų | 103.7 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | N1153 S1154 R1161 | N1153-T1157 WeakPolarHBondContact O-CB 3.27Å; N1153-T1157 PolarHBondContact O-N 3.23Å; N1153-T1157 PolarHBondContact O-OG1 3.06Å; S1154-T1157 WeakPolarHBondContact O-CB 3.38Å; S1154-T1157 PolarHBondContact O-N 3.05Å; T1157-R1161 WeakPolarHBondContact O-CB 3.42Å; T1157-R1161 PolarHBondContact O-N 3Å |
| 1158 | E | 90.5 | Very high | 90.4 | Very high | 118 Ų | 118 | 104.6 Ų | 104.6 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.8 | -37 | 174.3 | -73.9 | 174.8 | 177.2 | 0 | 0 | 112.6 | S1154 Q1155 L1156 R1161 S1162 | S1154-E1158 WeakPolarHBondContact O-CG 3.23Å; S1154-E1158 PolarHBondContact O-N 3.21Å; Q1155-E1158 PolarHBondContact O-N 3.17Å; L1156-E1158 VanDerWaalsContact C-N 3.34Å; L1156-E1158 PolarHBondContact O-N 3.08Å; E1158-R1161 PolarHBondContact O-N 3.08Å; E1158-S1162 VanDerWaalsContact O-CB 3.3Å; E1158-S1162 WeakPolarHBondContact O-CB 3.36Å; E1158-S1162 PolarHBondContact O-N 3.24Å |
| 1159 | R | 93.5 | Very high | 89.7 | Confident | 171 Ų | 171 | 101.3 Ų | 101.3 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 172.8 | -79.2 | -79.5 | 154.4 | 71.3 | 0.9 | 111.9 | Q1155 L1156 S1162 I1163 | Q1155-R1159 WeakPolarHBondContact O-CB 3.44Å; Q1155-R1159 VanDerWaalsContact O-CG 3.28Å; Q1155-R1159 WeakPolarHBondContact O-CG 3.31Å; Q1155-R1159 PolarHBondContact O-N 3.28Å; L1156-R1159 PolarHBondContact O-N 3.16Å; R1159-S1162 PolarHBondContact O-N 3.08Å; R1159-I1163 WeakPolarHBondContact O-CD1 3.47Å; R1159-I1163 VanDerWaalsContact O-CG1 3.26Å; R1159-I1163 WeakPolarHBondContact O-CG1 3.5Å; R1159-I1163 PolarHBondContact O-N 2.99Å |
| 1160 | I | 91.9 | Very high | 89 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -53.6 | 173.6 | -71.9 | 163.3 | 0 | 0 | 0 | 109.4 | L1156 S1162 I1163 E1164 | L1156-I1160 WeakPolarHBondContact O-CB 3.41Å; L1156-I1160 WeakPolarHBondContact O-CD1 3.39Å; L1156-I1160 VanDerWaalsContact O-CG1 3.24Å; L1156-I1160 WeakPolarHBondContact O-CG1 3.49Å; L1156-I1160 PolarHBondContact O-N 3.12Å; I1160-S1162 VanDerWaalsContact C-N 3.26Å; I1160-S1162 PolarHBondContact O-N 3.3Å; I1160-I1163 CarbonylContact O-C 3.53Å; I1160-I1163 WeakPolarHBondContact O-CA 3.45Å; I1160-I1163 PolarHBondContact O-N 2.82Å; I1160-E1164 HydrophobicContact CG2-CG 4.21Å; I1160-E1164 WeakPolarHBondContact CG2-OE1 3.4Å; I1160-E1164 WeakPolarHBondContact O-CG 3.39Å; I1160-E1164 PolarHBondContact O-N 3.37Å |
| 1161 | R | 92.3 | Very high | 88.3 | Confident | 138 Ų | 138 | 97.5 Ų | 97.5 | 52% | 0.521 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.6 | -36.7 | 177.6 | -165.5 | -173.2 | -56.1 | 115.8 | 5.1 | 113.4 | T1157 E1158 E1164 A1165 | T1157-R1161 WeakPolarHBondContact O-CB 3.42Å; T1157-R1161 PolarHBondContact O-N 3Å; E1158-R1161 PolarHBondContact O-N 3.08Å; R1161-E1164 WeakPolarHBondContact CA-OE2 3.41Å; R1161-A1165 WeakPolarHBondContact O-CB 3.28Å; R1161-A1165 PolarHBondContact O-N 3.29Å |
| 1162 | S | 90.8 | Very high | 87.4 | Confident | 63 Ų | 63 | 97.8 Ų | 97.8 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71 | -31.1 | 175.7 | -174.2 | 0 | 0 | 0 | 0 | 112.9 | E1158 R1159 I1160 L1166 | E1158-S1162 VanDerWaalsContact O-CB 3.3Å; E1158-S1162 WeakPolarHBondContact O-CB 3.36Å; E1158-S1162 PolarHBondContact O-N 3.24Å; R1159-S1162 PolarHBondContact O-N 3.08Å; I1160-S1162 VanDerWaalsContact C-N 3.26Å; I1160-S1162 PolarHBondContact O-N 3.3Å; S1162-L1166 WeakPolarHBondContact O-CB 3.31Å; S1162-L1166 WeakPolarHBondContact O-CD1 3.5Å; S1162-L1166 WeakPolarHBondContact O-CG 3.38Å; S1162-L1166 PolarHBondContact O-N 2.88Å |
| 1163 | I | 90.5 | Very high | 86.5 | Confident | 95 Ų | 95 | 99.2 Ų | 99.2 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -76.1 | -42.9 | 174.5 | -70 | 163 | 0 | 0 | 0 | 109.9 | R1159 I1160 L1166 L1167 | R1159-I1163 WeakPolarHBondContact O-CD1 3.47Å; R1159-I1163 VanDerWaalsContact O-CG1 3.26Å; R1159-I1163 WeakPolarHBondContact O-CG1 3.5Å; R1159-I1163 PolarHBondContact O-N 2.99Å; I1160-I1163 CarbonylContact O-C 3.53Å; I1160-I1163 WeakPolarHBondContact O-CA 3.45Å; I1160-I1163 PolarHBondContact O-N 2.82Å; I1163-L1166 PolarHBondContact O-N 2.95Å; I1163-L1167 HydrophobicContact CG2-CD1 3.9Å; I1163-L1167 HydrophobicContact CG2-CG 4.36Å; I1163-L1167 WeakPolarHBondContact O-CG 3.26Å; I1163-L1167 PolarHBondContact O-N 3.47Å |
| 1164 | E | 87.2 | Confident | 85.7 | Confident | 107 Ų | 107 | 100 Ų | 100 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -55.8 | -52 | 173.5 | -70.4 | 168 | 156.8 | 0 | 0 | 110.5 | I1160 R1161 L1166 L1167 E1168 | I1160-E1164 HydrophobicContact CG2-CG 4.21Å; I1160-E1164 WeakPolarHBondContact CG2-OE1 3.4Å; I1160-E1164 WeakPolarHBondContact O-CG 3.39Å; I1160-E1164 PolarHBondContact O-N 3.37Å; R1161-E1164 WeakPolarHBondContact CA-OE2 3.41Å; E1164-L1166 VanDerWaalsContact C-N 3.29Å; E1164-L1166 PolarHBondContact O-N 2.66Å; E1164-L1167 PolarHBondContact O-N 3.44Å; E1164-L1167 VanDerWaalsContact O-N 3.15Å; E1164-E1168 VanDerWaalsContact O-CB 3.31Å; E1164-E1168 WeakPolarHBondContact O-CB 3.23Å; E1164-E1168 PolarHBondContact O-N 3.23Å |
| 1165 | A | 85.7 | Confident | 84.8 | Confident | 57 Ų | 57 | 101.5 Ų | 101.5 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.8 | -32 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1161 A1169 | R1161-A1165 WeakPolarHBondContact O-CB 3.28Å; R1161-A1165 PolarHBondContact O-N 3.29Å; A1165-A1169 VanDerWaalsContact O-CB 3.22Å; A1165-A1169 WeakPolarHBondContact O-CB 3.44Å; A1165-A1169 PolarHBondContact O-N 3.02Å |
| 1166 | L | 85.4 | Confident | 84 | Confident | 123 Ų | 123 | 103.1 Ų | 103.1 | 64% | 0.644 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.7 | -38 | 174.4 | -76.7 | 169.2 | 0 | 0 | 0 | 112.4 | S1162 I1163 E1164 G1170 | S1162-L1166 WeakPolarHBondContact O-CB 3.31Å; S1162-L1166 WeakPolarHBondContact O-CD1 3.5Å; S1162-L1166 WeakPolarHBondContact O-CG 3.38Å; S1162-L1166 PolarHBondContact O-N 2.88Å; I1163-L1166 PolarHBondContact O-N 2.95Å; E1164-L1166 VanDerWaalsContact C-N 3.29Å; E1164-L1166 PolarHBondContact O-N 2.66Å; L1166-G1170 PolarHBondContact O-N 3.1Å |
| 1167 | L | 80.6 | Confident | 83.1 | Confident | 112 Ų | 112 | 100.6 Ų | 100.6 | 59% | 0.586 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.3 | -40.2 | 174.2 | -71.8 | 168.7 | 0 | 0 | 0 | 111.4 | I1163 E1164 G1170 Q1171 | I1163-L1167 HydrophobicContact CG2-CD1 3.9Å; I1163-L1167 HydrophobicContact CG2-CG 4.36Å; I1163-L1167 WeakPolarHBondContact O-CG 3.26Å; I1163-L1167 PolarHBondContact O-N 3.47Å; E1164-L1167 PolarHBondContact O-N 3.44Å; E1164-L1167 VanDerWaalsContact O-N 3.15Å; L1167-G1170 PolarHBondContact O-N 3.29Å; L1167-Q1171 WeakPolarHBondContact O-CG 3.29Å; L1167-Q1171 PolarHBondContact O-N 2.88Å |
| 1168 | E | 81.6 | Confident | 82.2 | Confident | 145 Ų | 145 | 101.1 Ų | 101.1 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.6 | -39 | 180 | -159.1 | 161.8 | -124.1 | 0 | 0 | 111.3 | E1164 Q1171 A1172 | E1164-E1168 VanDerWaalsContact O-CB 3.31Å; E1164-E1168 WeakPolarHBondContact O-CB 3.23Å; E1164-E1168 PolarHBondContact O-N 3.23Å; E1168-Q1171 PolarHBondContact O-N 3.46Å; E1168-A1172 WeakPolarHBondContact O-CB 3.4Å; E1168-A1172 PolarHBondContact O-N 2.95Å |
| 1169 | A | 78 | Confident | 81.5 | Confident | 57 Ų | 57 | 101.4 Ų | 101.4 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1165 A1172 Q1173 | A1165-A1169 VanDerWaalsContact O-CB 3.22Å; A1165-A1169 WeakPolarHBondContact O-CB 3.44Å; A1165-A1169 PolarHBondContact O-N 3.02Å; A1169-A1172 PolarHBondContact O-N 3.16Å; A1169-Q1173 PolarHBondContact O-N 3.37Å |
| 1170 | G | 78.4 | Confident | 80.7 | Confident | 26 Ų | 26 | 96 Ų | 96 | 27% | 0.268 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1166 L1167 A1172 Q1173 D1174 | L1166-G1170 PolarHBondContact O-N 3.1Å; L1167-G1170 PolarHBondContact O-N 3.29Å; G1170-A1172 VanDerWaalsContact C-N 3.33Å; G1170-A1172 PolarHBondContact O-N 2.94Å; G1170-Q1173 PolarHBondContact O-N 2.98Å; G1170-Q1173 VanDerWaalsContact O-N 3.12Å; G1170-D1174 PolarHBondContact O-N 3.02Å |
| 1171 | Q | 78.6 | Confident | 80 | Confident | 136 Ų | 136 | 97.4 Ų | 97.4 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.8 | -36.9 | 175.7 | -73.8 | -174.7 | 10.2 | 0 | 0 | 112.6 | L1167 E1168 Q1173 T1175 | L1167-Q1171 WeakPolarHBondContact O-CG 3.29Å; L1167-Q1171 PolarHBondContact O-N 2.88Å; E1168-Q1171 PolarHBondContact O-N 3.46Å; Q1171-Q1173 VanDerWaalsContact C-N 3.33Å; Q1171-T1175 WeakPolarHBondContact O-CB 3.36Å; Q1171-T1175 VanDerWaalsContact O-CG2 3.31Å; Q1171-T1175 WeakPolarHBondContact O-CG2 3.28Å; Q1171-T1175 PolarHBondContact O-N 3.44Å; Q1171-T1175 PolarHBondContact O-OG1 3.1Å |
| 1172 | A | 74.9 | Confident | 79.2 | Confident | 55 Ų | 55 | 93.3 Ų | 93.3 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1168 A1169 G1170 T1175 Q1176 | E1168-A1172 WeakPolarHBondContact O-CB 3.4Å; E1168-A1172 PolarHBondContact O-N 2.95Å; A1169-A1172 PolarHBondContact O-N 3.16Å; G1170-A1172 VanDerWaalsContact C-N 3.33Å; G1170-A1172 PolarHBondContact O-N 2.94Å; A1172-T1175 PolarHBondContact O-OG1 3.43Å; A1172-Q1176 VanDerWaalsContact O-CB 3.27Å; A1172-Q1176 WeakPolarHBondContact O-CB 3.42Å; A1172-Q1176 PolarHBondContact O-N 2.69Å |
| 1173 | Q | 75.2 | Confident | 78.7 | Confident | 142 Ų | 142 | 94.6 Ų | 94.6 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70 | -44.6 | 176.8 | -171.8 | 171.7 | -4.5 | 0 | 0 | 112.3 | A1169 G1170 Q1171 Q1176 A1177 | A1169-Q1173 PolarHBondContact O-N 3.37Å; G1170-Q1173 PolarHBondContact O-N 2.98Å; G1170-Q1173 VanDerWaalsContact O-N 3.12Å; Q1171-Q1173 VanDerWaalsContact C-N 3.33Å; Q1173-Q1176 PolarHBondContact O-N 3.42Å; Q1173-A1177 WeakPolarHBondContact O-CB 3.43Å; Q1173-A1177 PolarHBondContact O-N 2.84Å |
| 1174 | D | 73.1 | Confident | 78.3 | Confident | 116 Ų | 116 | 94.9 Ų | 94.9 | 62% | 0.62 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 177.8 | -76.5 | -22 | 0 | 0 | 0 | 111.9 | G1170 A1177 S1178 | G1170-D1174 PolarHBondContact O-N 3.02Å; D1174-A1177 PolarHBondContact O-N 2.91Å; D1174-S1178 VanDerWaalsContact O-CB 3.27Å; D1174-S1178 WeakPolarHBondContact O-CB 3.47Å; D1174-S1178 PolarHBondContact O-N 2.86Å |
| 1175 | T | 73.7 | Confident | 78.1 | Confident | 92 Ų | 92 | 95.5 Ų | 95.5 | 56% | 0.564 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.5 | -37.7 | 175.8 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | Q1171 A1172 H1179 | Q1171-T1175 WeakPolarHBondContact O-CB 3.36Å; Q1171-T1175 VanDerWaalsContact O-CG2 3.31Å; Q1171-T1175 WeakPolarHBondContact O-CG2 3.28Å; Q1171-T1175 PolarHBondContact O-N 3.44Å; Q1171-T1175 PolarHBondContact O-OG1 3.1Å; A1172-T1175 PolarHBondContact O-OG1 3.43Å; T1175-H1179 VanDerWaalsContact O-CB 3.29Å; T1175-H1179 WeakPolarHBondContact O-CB 3.33Å; T1175-H1179 PolarHBondContact O-N 3.29Å |
| 1176 | Q | 76.9 | Confident | 78.1 | Confident | 153 Ų | 153 | 98 Ų | 98 | 72% | 0.715 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.5 | -41 | 173.3 | -171.5 | 175 | 16.1 | 0 | 0 | 111.9 | A1172 Q1173 A1180 | A1172-Q1176 VanDerWaalsContact O-CB 3.27Å; A1172-Q1176 WeakPolarHBondContact O-CB 3.42Å; A1172-Q1176 PolarHBondContact O-N 2.69Å; Q1173-Q1176 PolarHBondContact O-N 3.42Å; Q1176-A1180 WeakPolarHBondContact O-CB 3.44Å; Q1176-A1180 PolarHBondContact O-N 3.48Å |
| 1177 | A | 74 | Confident | 77.9 | Confident | 53 Ų | 53 | 96.3 Ų | 96.3 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -48 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1173 D1174 H1179 A1180 E1181 | Q1173-A1177 WeakPolarHBondContact O-CB 3.43Å; Q1173-A1177 PolarHBondContact O-N 2.84Å; D1174-A1177 PolarHBondContact O-N 2.91Å; A1177-H1179 VanDerWaalsContact C-N 3.35Å; A1177-H1179 PolarHBondContact O-N 3.27Å; A1177-A1180 WeakPolarHBondContact O-CB 3.47Å; A1177-A1180 PolarHBondContact O-N 3.02Å; A1177-A1180 VanDerWaalsContact O-N 3.14Å; A1177-E1181 PolarHBondContact O-N 3.18Å |
| 1178 | S | 73.5 | Confident | 78.2 | Confident | 74 Ų | 74 | 97.5 Ų | 97.5 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 177.3 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | D1174 A1180 E1181 A1182 | D1174-S1178 VanDerWaalsContact O-CB 3.27Å; D1174-S1178 WeakPolarHBondContact O-CB 3.47Å; D1174-S1178 PolarHBondContact O-N 2.86Å; S1178-A1180 VanDerWaalsContact C-N 3.33Å; S1178-A1180 PolarHBondContact O-N 3.4Å; S1178-E1181 PolarHBondContact O-N 2.88Å; S1178-A1182 WeakPolarHBondContact O-CB 3.17Å; S1178-A1182 PolarHBondContact O-N 3.5Å |
| 1179 | H | 75.8 | Confident | 78.4 | Confident | 123 Ų | 123 | 95.7 Ų | 95.7 | 57% | 0.569 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.4 | -32.2 | 175.3 | -160 | -16.6 | 0 | 0 | 0 | 112.3 | T1175 A1177 N1183 | T1175-H1179 VanDerWaalsContact O-CB 3.29Å; T1175-H1179 WeakPolarHBondContact O-CB 3.33Å; T1175-H1179 PolarHBondContact O-N 3.29Å; A1177-H1179 VanDerWaalsContact C-N 3.35Å; A1177-H1179 PolarHBondContact O-N 3.27Å; H1179-N1183 PolarHBondContact O-N 3.49Å; H1179-N1183 PolarHBondContact O-ND2 2.95Å |
| 1180 | A | 75.8 | Confident | 78.7 | Confident | 58 Ų | 58 | 99.1 Ų | 99.1 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.5 | -43.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1176 A1177 S1178 N1183 Q1184 | Q1176-A1180 WeakPolarHBondContact O-CB 3.44Å; Q1176-A1180 PolarHBondContact O-N 3.48Å; A1177-A1180 WeakPolarHBondContact O-CB 3.47Å; A1177-A1180 PolarHBondContact O-N 3.02Å; A1177-A1180 VanDerWaalsContact O-N 3.14Å; S1178-A1180 VanDerWaalsContact C-N 3.33Å; S1178-A1180 PolarHBondContact O-N 3.4Å; A1180-N1183 PolarHBondContact O-N 3.26Å; A1180-Q1184 PolarHBondContact O-N 2.9Å |
| 1181 | E | 77.3 | Confident | 79.1 | Confident | 121 Ų | 121 | 103.9 Ų | 103.9 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.5 | -43.4 | 172.4 | -76.4 | -161.2 | 123.9 | 0 | 0 | 111.9 | A1177 S1178 N1183 Q1184 Q1185 | A1177-E1181 PolarHBondContact O-N 3.18Å; S1178-E1181 PolarHBondContact O-N 2.88Å; E1181-N1183 VanDerWaalsContact C-N 3.33Å; E1181-N1183 PolarHBondContact O-N 3.32Å; E1181-Q1184 WeakPolarHBondContact O-CB 3.36Å; E1181-Q1184 PolarHBondContact O-N 3.05Å; E1181-Q1184 VanDerWaalsContact O-N 3.1Å; E1181-Q1185 WeakPolarHBondContact O-CG 3.03Å; E1181-Q1185 PolarHBondContact O-N 3.41Å |
| 1182 | A | 76 | Confident | 79.4 | Confident | 52 Ų | 52 | 102.1 Ų | 102.1 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1178 Q1184 Q1185 Q1186 | S1178-A1182 WeakPolarHBondContact O-CB 3.17Å; S1178-A1182 PolarHBondContact O-N 3.5Å; A1182-Q1184 PolarHBondContact O-N 3.49Å; A1182-Q1185 PolarHBondContact O-N 2.61Å; A1182-Q1186 VanDerWaalsContact O-CB 3.28Å; A1182-Q1186 WeakPolarHBondContact O-CB 3.28Å; A1182-Q1186 PolarHBondContact O-N 3.24Å |
| 1183 | N | 80.5 | Confident | 80.1 | Confident | 89 Ų | 89 | 106.2 Ų | 106.2 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 174 | -77.1 | -28.7 | 0 | 0 | 0 | 112.5 | H1179 A1180 E1181 T1187 | H1179-N1183 PolarHBondContact O-N 3.49Å; H1179-N1183 PolarHBondContact O-ND2 2.95Å; A1180-N1183 PolarHBondContact O-N 3.26Å; E1181-N1183 VanDerWaalsContact C-N 3.33Å; E1181-N1183 PolarHBondContact O-N 3.32Å; N1183-T1187 WeakPolarHBondContact O-CB 3.35Å; N1183-T1187 PolarHBondContact O-N 2.81Å; N1183-T1187 PolarHBondContact O-OG1 3.47Å |
| 1184 | Q | 81.9 | Confident | 80.5 | Confident | 102 Ų | 102 | 102.9 Ų | 102.9 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 175 | -167.1 | -174.9 | 63.3 | 0 | 0 | 111.8 | A1180 E1181 A1182 T1187 R1188 | A1180-Q1184 PolarHBondContact O-N 2.9Å; E1181-Q1184 WeakPolarHBondContact O-CB 3.36Å; E1181-Q1184 PolarHBondContact O-N 3.05Å; E1181-Q1184 VanDerWaalsContact O-N 3.1Å; A1182-Q1184 PolarHBondContact O-N 3.49Å; Q1184-T1187 PolarHBondContact O-N 2.84Å; Q1184-R1188 PolarHBondContact O-N 3.4Å |
| 1185 | Q | 82.8 | Confident | 81.4 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.7 | -42.3 | 175.2 | -68.3 | -164.8 | 26 | 0 | 0 | 111.8 | E1181 A1182 T1187 R1188 L1189 | E1181-Q1185 WeakPolarHBondContact O-CG 3.03Å; E1181-Q1185 PolarHBondContact O-N 3.41Å; A1182-Q1185 PolarHBondContact O-N 2.61Å; Q1185-T1187 PolarHBondContact O-N 2.84Å; Q1185-R1188 PolarHBondContact O-N 2.89Å; Q1185-L1189 WeakPolarHBondContact O-CB 3.38Å; Q1185-L1189 WeakPolarHBondContact O-CG 3.48Å; Q1185-L1189 PolarHBondContact O-N 3.14Å |
| 1186 | Q | 85.3 | Confident | 82.1 | Confident | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.3 | -38.1 | 172.5 | -175.7 | 82.8 | 89.3 | 0 | 0 | 111.8 | A1182 K1190 | A1182-Q1186 VanDerWaalsContact O-CB 3.28Å; A1182-Q1186 WeakPolarHBondContact O-CB 3.28Å; A1182-Q1186 PolarHBondContact O-N 3.24Å; Q1186-K1190 WeakPolarHBondContact O-CG 3.29Å; Q1186-K1190 PolarHBondContact O-N 2.93Å |
| 1187 | T | 82.8 | Confident | 82.7 | Confident | 88 Ų | 88 | 98.1 Ų | 98.1 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.2 | -48.6 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | N1183 Q1184 Q1185 L1189 K1190 E1191 | N1183-T1187 WeakPolarHBondContact O-CB 3.35Å; N1183-T1187 PolarHBondContact O-N 2.81Å; N1183-T1187 PolarHBondContact O-OG1 3.47Å; Q1184-T1187 PolarHBondContact O-N 2.84Å; Q1185-T1187 PolarHBondContact O-N 2.84Å; T1187-L1189 VanDerWaalsContact C-N 3.3Å; T1187-L1189 PolarHBondContact O-N 3.45Å; T1187-K1190 PolarHBondContact O-N 2.85Å; T1187-E1191 PolarHBondContact O-N 3.4Å |
| 1188 | R | 86 | Confident | 83.3 | Confident | 137 Ų | 137 | 99.2 Ų | 99.2 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.5 | -37.2 | 175 | -78.8 | -176.7 | 172.4 | 131.1 | -1.1 | 113 | Q1184 Q1185 E1191 L1192 | Q1184-R1188 PolarHBondContact O-N 3.4Å; Q1185-R1188 PolarHBondContact O-N 2.89Å; R1188-E1191 PolarHBondContact O-N 3.32Å; R1188-L1192 WeakPolarHBondContact O-CB 3.47Å; R1188-L1192 PolarHBondContact O-N 2.96Å |
| 1189 | L | 84.9 | Confident | 83.8 | Confident | 107 Ų | 107 | 100 Ų | 100 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -46 | 176.5 | -79.3 | 170 | 0 | 0 | 0 | 111.4 | Q1185 T1187 E1191 L1192 E1193 | Q1185-L1189 WeakPolarHBondContact O-CB 3.38Å; Q1185-L1189 WeakPolarHBondContact O-CG 3.48Å; Q1185-L1189 PolarHBondContact O-N 3.14Å; T1187-L1189 VanDerWaalsContact C-N 3.3Å; T1187-L1189 PolarHBondContact O-N 3.45Å; L1189-E1191 VanDerWaalsContact C-N 3.31Å; L1189-E1191 PolarHBondContact O-N 2.88Å; L1189-L1192 PolarHBondContact O-N 2.98Å; L1189-E1193 WeakPolarHBondContact O-CB 3.3Å; L1189-E1193 PolarHBondContact O-N 3.02Å |
| 1190 | K | 86.3 | Confident | 84.4 | Confident | 130 Ų | 130 | 100.2 Ų | 100.2 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -36.3 | 174.8 | -73.6 | 178.3 | 176.6 | -177.9 | 0 | 112.8 | Q1186 T1187 S1194 | Q1186-K1190 WeakPolarHBondContact O-CG 3.29Å; Q1186-K1190 PolarHBondContact O-N 2.93Å; T1187-K1190 PolarHBondContact O-N 2.85Å; K1190-S1194 VanDerWaalsContact O-CB 3.3Å; K1190-S1194 WeakPolarHBondContact O-CB 3.43Å; K1190-S1194 PolarHBondContact O-N 3.35Å |
| 1191 | E | 86.2 | Confident | 85 | Confident | 126 Ų | 126 | 103.5 Ų | 103.5 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68 | -44 | 176.3 | -171.7 | 167.9 | -154.2 | 0 | 0 | 111.7 | T1187 R1188 L1189 S1194 Q1195 | T1187-E1191 PolarHBondContact O-N 3.4Å; R1188-E1191 PolarHBondContact O-N 3.32Å; L1189-E1191 VanDerWaalsContact C-N 3.31Å; L1189-E1191 PolarHBondContact O-N 2.88Å; E1191-S1194 PolarHBondContact O-N 3.3Å; E1191-Q1195 VanDerWaalsContact O-CB 3.28Å; E1191-Q1195 WeakPolarHBondContact O-CB 3.44Å; E1191-Q1195 PolarHBondContact O-N 2.96Å |
| 1192 | L | 84.2 | Confident | 85.4 | Confident | 98 Ų | 98 | 103.2 Ų | 103.2 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 172.6 | -82.9 | 162.4 | 0 | 0 | 0 | 112.6 | R1188 L1189 Q1195 V1196 | R1188-L1192 WeakPolarHBondContact O-CB 3.47Å; R1188-L1192 PolarHBondContact O-N 2.96Å; L1189-L1192 PolarHBondContact O-N 2.98Å; L1192-Q1195 PolarHBondContact O-N 3.5Å; L1192-V1196 WeakPolarHBondContact O-CG2 3.35Å; L1192-V1196 PolarHBondContact O-N 2.89Å |
| 1193 | E | 89.9 | Confident | 85.7 | Confident | 141 Ų | 141 | 104.9 Ų | 104.9 | 66% | 0.659 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 178 | -174.3 | 171.3 | -126.2 | 0 | 0 | 111.3 | L1189 S1197 | L1189-E1193 WeakPolarHBondContact O-CB 3.3Å; L1189-E1193 PolarHBondContact O-N 3.02Å; E1193-S1197 WeakPolarHBondContact O-CB 3.4Å; E1193-S1197 PolarHBondContact O-N 3.48Å |
| 1194 | S | 84.4 | Confident | 85.7 | Confident | 73 Ų | 73 | 104.1 Ų | 104.1 | 51% | 0.51 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 170.9 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | K1190 E1191 S1197 C1198 | K1190-S1194 VanDerWaalsContact O-CB 3.3Å; K1190-S1194 WeakPolarHBondContact O-CB 3.43Å; K1190-S1194 PolarHBondContact O-N 3.35Å; E1191-S1194 PolarHBondContact O-N 3.3Å; S1194-S1197 WeakPolarHBondContact O-CB 3.48Å; S1194-S1197 PolarHBondContact O-N 2.86Å; S1194-C1198 PolarHBondContact O-N 3.2Å; S1194-C1198 PolarHBondContact O-SG 2.82Å; S1194-C1198 VanDerWaalsContact O-SG 3.4Å |
| 1195 | Q | 90.6 | Very high | 85.9 | Confident | 113 Ų | 113 | 104 Ų | 104 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.8 | -40 | -179.2 | -164 | 171.5 | 109.8 | 0 | 0 | 112.3 | E1191 L1192 C1198 L1199 | E1191-Q1195 VanDerWaalsContact O-CB 3.28Å; E1191-Q1195 WeakPolarHBondContact O-CB 3.44Å; E1191-Q1195 PolarHBondContact O-N 2.96Å; L1192-Q1195 PolarHBondContact O-N 3.5Å; Q1195-C1198 PolarHBondContact O-N 3.02Å; Q1195-L1199 WeakPolarHBondContact O-CG 3.4Å; Q1195-L1199 PolarHBondContact O-N 3.2Å; Q1195-L1199 VanDerWaalsContact O-N 3.08Å |
| 1196 | V | 88.6 | Confident | 86.1 | Confident | 75 Ų | 75 | 104.2 Ų | 104.2 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 170.8 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | L1192 C1198 L1199 E1200 | L1192-V1196 WeakPolarHBondContact O-CG2 3.35Å; L1192-V1196 PolarHBondContact O-N 2.89Å; V1196-C1198 VanDerWaalsContact C-N 3.3Å; V1196-C1198 PolarHBondContact O-N 2.91Å; V1196-L1199 PolarHBondContact O-N 2.9Å; V1196-L1199 VanDerWaalsContact O-N 3.08Å; V1196-E1200 HydrophobicContact CG1-CG 4.18Å; V1196-E1200 WeakPolarHBondContact O-CG 3.32Å; V1196-E1200 PolarHBondContact O-N 2.8Å |
| 1197 | S | 89.2 | Confident | 86.1 | Confident | 73 Ų | 73 | 106.1 Ų | 106.1 | 51% | 0.51 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.3 | -39.6 | 177.9 | -166.7 | 0 | 0 | 0 | 0 | 112.8 | E1193 S1194 K1201 | E1193-S1197 WeakPolarHBondContact O-CB 3.4Å; E1193-S1197 PolarHBondContact O-N 3.48Å; S1194-S1197 WeakPolarHBondContact O-CB 3.48Å; S1194-S1197 PolarHBondContact O-N 2.86Å; S1197-K1201 WeakPolarHBondContact O-CB 3.46Å; S1197-K1201 PolarHBondContact O-N 3.34Å |
| 1198 | C | 86.9 | Confident | 86.1 | Confident | 76 Ų | 76 | 107.6 Ų | 107.6 | 51% | 0.514 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 172 | -71.3 | 0 | 0 | 0 | 0 | 112.7 | S1194 Q1195 V1196 K1201 E1202 | S1194-C1198 PolarHBondContact O-N 3.2Å; S1194-C1198 PolarHBondContact O-SG 2.82Å; S1194-C1198 VanDerWaalsContact O-SG 3.4Å; Q1195-C1198 PolarHBondContact O-N 3.02Å; V1196-C1198 VanDerWaalsContact C-N 3.3Å; V1196-C1198 PolarHBondContact O-N 2.91Å; C1198-K1201 WeakPolarHBondContact O-CB 3.44Å; C1198-K1201 PolarHBondContact O-N 3.24Å; C1198-E1202 PolarHBondContact O-N 3.49Å |
| 1199 | L | 84.6 | Confident | 86.1 | Confident | 91 Ų | 91 | 103.7 Ų | 103.7 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.5 | -36.5 | -179.4 | -71.4 | 168.1 | 0 | 0 | 0 | 112.8 | Q1195 V1196 K1201 T1203 | Q1195-L1199 WeakPolarHBondContact O-CG 3.4Å; Q1195-L1199 PolarHBondContact O-N 3.2Å; Q1195-L1199 VanDerWaalsContact O-N 3.08Å; V1196-L1199 PolarHBondContact O-N 2.9Å; V1196-L1199 VanDerWaalsContact O-N 3.08Å; L1199-K1201 VanDerWaalsContact C-N 3.3Å; L1199-T1203 VanDerWaalsContact O-CB 3.26Å; L1199-T1203 WeakPolarHBondContact O-CB 3.19Å; L1199-T1203 PolarHBondContact O-N 3.33Å; L1199-T1203 PolarHBondContact O-OG1 3.42Å |
| 1200 | E | 87.6 | Confident | 86.1 | Confident | 127 Ų | 127 | 103.4 Ų | 103.4 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -37.5 | 172.5 | -73 | -175.1 | 146.8 | 0 | 0 | 111.5 | V1196 S1204 | V1196-E1200 HydrophobicContact CG1-CG 4.18Å; V1196-E1200 WeakPolarHBondContact O-CG 3.32Å; V1196-E1200 PolarHBondContact O-N 2.8Å; E1200-S1204 WeakPolarHBondContact O-CB 3.49Å; E1200-S1204 PolarHBondContact O-N 3.28Å; E1200-S1204 PolarHBondContact O-OG 3.24Å |
| 1201 | K | 88.4 | Confident | 85.9 | Confident | 127 Ų | 127 | 102 Ų | 102 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.7 | -48.7 | 176.1 | -168.3 | 172.5 | -179.8 | -68.3 | 0 | 111.9 | S1197 C1198 L1199 T1203 S1204 E1205 | S1197-K1201 WeakPolarHBondContact O-CB 3.46Å; S1197-K1201 PolarHBondContact O-N 3.34Å; C1198-K1201 WeakPolarHBondContact O-CB 3.44Å; C1198-K1201 PolarHBondContact O-N 3.24Å; L1199-K1201 VanDerWaalsContact C-N 3.3Å; K1201-T1203 VanDerWaalsContact C-N 3.32Å; K1201-T1203 PolarHBondContact O-N 3.13Å; K1201-S1204 WeakPolarHBondContact O-CB 3.46Å; K1201-S1204 PolarHBondContact O-N 2.74Å; K1201-S1204 VanDerWaalsContact O-N 3.13Å; K1201-E1205 IonicContact NZ-OE1 2.66Å; K1201-E1205 PolarHBondContact NZ-OE1 2.84Å; K1201-E1205 WeakPolarHBondContact O-CG 3.41Å; K1201-E1205 PolarHBondContact O-N 3.34Å |
| 1202 | E | 87.3 | Confident | 85.7 | Confident | 115 Ų | 115 | 100.3 Ų | 100.3 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 172.8 | -76.7 | -169 | 132.9 | 0 | 0 | 111.8 | C1198 S1204 E1205 L1206 | C1198-E1202 PolarHBondContact O-N 3.49Å; E1202-S1204 PolarHBondContact O-N 2.91Å; E1202-E1205 PolarHBondContact O-N 3.27Å; E1202-L1206 WeakPolarHBondContact O-CB 3.33Å; E1202-L1206 PolarHBondContact O-N 3.42Å |
| 1203 | T | 80.9 | Confident | 85.7 | Confident | 86 Ų | 86 | 101.3 Ų | 101.3 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -33.7 | 178.1 | -58.7 | 0 | 0 | 0 | 0 | 112 | L1199 K1201 K1207 | L1199-T1203 VanDerWaalsContact O-CB 3.26Å; L1199-T1203 WeakPolarHBondContact O-CB 3.19Å; L1199-T1203 PolarHBondContact O-N 3.33Å; L1199-T1203 PolarHBondContact O-OG1 3.42Å; K1201-T1203 VanDerWaalsContact C-N 3.32Å; K1201-T1203 PolarHBondContact O-N 3.13Å; T1203-K1207 WeakPolarHBondContact O-CB 3.32Å; T1203-K1207 PolarHBondContact O-N 3.48Å; T1203-K1207 VanDerWaalsContact O-N 3.11Å |
| 1204 | S | 81 | Confident | 85.5 | Confident | 73 Ų | 73 | 99.8 Ų | 99.8 | 51% | 0.51 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.5 | -43.5 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | E1200 K1201 E1202 K1207 E1208 | E1200-S1204 WeakPolarHBondContact O-CB 3.49Å; E1200-S1204 PolarHBondContact O-N 3.28Å; E1200-S1204 PolarHBondContact O-OG 3.24Å; K1201-S1204 WeakPolarHBondContact O-CB 3.46Å; K1201-S1204 PolarHBondContact O-N 2.74Å; K1201-S1204 VanDerWaalsContact O-N 3.13Å; E1202-S1204 PolarHBondContact O-N 2.91Å; S1204-K1207 WeakPolarHBondContact O-CB 3.44Å; S1204-K1207 PolarHBondContact O-N 2.9Å; S1204-E1208 PolarHBondContact O-N 3Å |
| 1205 | E | 86.7 | Confident | 85.4 | Confident | 99 Ų | 99 | 98 Ų | 98 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176 | -71.9 | 173.9 | -167.5 | 0 | 0 | 111.8 | K1201 E1202 E1208 A1209 | K1201-E1205 IonicContact NZ-OE1 2.66Å; K1201-E1205 PolarHBondContact NZ-OE1 2.84Å; K1201-E1205 WeakPolarHBondContact O-CG 3.41Å; K1201-E1205 PolarHBondContact O-N 3.34Å; E1202-E1205 PolarHBondContact O-N 3.27Å; E1205-E1208 PolarHBondContact O-N 3.35Å; E1205-A1209 VanDerWaalsContact O-CB 3.3Å; E1205-A1209 WeakPolarHBondContact O-CB 3.43Å; E1205-A1209 PolarHBondContact O-N 3.25Å |
| 1206 | L | 86.4 | Confident | 85.2 | Confident | 125 Ų | 125 | 97.5 Ų | 97.5 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -38.9 | 171.4 | -90.5 | 153.8 | 0 | 0 | 0 | 112.6 | E1202 M1210 | E1202-L1206 WeakPolarHBondContact O-CB 3.33Å; E1202-L1206 PolarHBondContact O-N 3.42Å; L1206-M1210 WeakPolarHBondContact O-CB 3.39Å; L1206-M1210 PolarHBondContact O-N 3.18Å |
| 1207 | K | 84.7 | Confident | 84.8 | Confident | 148 Ų | 148 | 97.2 Ų | 97.2 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -47.3 | 173.1 | -104.2 | 179.2 | 177 | 173.8 | 0 | 111.8 | T1203 S1204 M1210 E1211 | T1203-K1207 WeakPolarHBondContact O-CB 3.32Å; T1203-K1207 PolarHBondContact O-N 3.48Å; T1203-K1207 VanDerWaalsContact O-N 3.11Å; S1204-K1207 WeakPolarHBondContact O-CB 3.44Å; S1204-K1207 PolarHBondContact O-N 2.9Å; K1207-M1210 PolarHBondContact O-N 3.39Å; K1207-E1211 PolarHBondContact O-N 3.04Å |
| 1208 | E | 84 | Confident | 84.7 | Confident | 119 Ų | 119 | 98.3 Ų | 98.3 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 178.7 | -159.7 | -161 | 131.8 | 0 | 0 | 110.9 | S1204 E1205 M1210 E1211 Q1212 | S1204-E1208 PolarHBondContact O-N 3Å; E1205-E1208 PolarHBondContact O-N 3.35Å; E1208-M1210 VanDerWaalsContact C-N 3.32Å; E1208-M1210 PolarHBondContact O-N 3.47Å; E1208-E1211 PolarHBondContact O-N 2.83Å; E1208-Q1212 WeakPolarHBondContact O-CB 3.35Å; E1208-Q1212 WeakPolarHBondContact O-CG 3.31Å; E1208-Q1212 PolarHBondContact O-N 2.85Å; E1208-Q1212 PolarHBondContact OE1-NE2 3.27Å |
| 1209 | A | 84.6 | Confident | 84.7 | Confident | 55 Ų | 55 | 98.4 Ų | 98.4 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1205 Q1213 | E1205-A1209 VanDerWaalsContact O-CB 3.3Å; E1205-A1209 WeakPolarHBondContact O-CB 3.43Å; E1205-A1209 PolarHBondContact O-N 3.25Å; A1209-Q1213 VanDerWaalsContact O-CB 3.25Å; A1209-Q1213 WeakPolarHBondContact O-CB 3.47Å; A1209-Q1213 PolarHBondContact O-N 2.91Å |
| 1210 | M | 84.6 | Confident | 84.7 | Confident | 101 Ų | 101 | 98.7 Ų | 98.7 | 50% | 0.498 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 175.8 | -168.2 | -159.2 | 69.8 | 0 | 0 | 112.1 | L1206 K1207 E1208 Q1213 K1214 | L1206-M1210 WeakPolarHBondContact O-CB 3.39Å; L1206-M1210 PolarHBondContact O-N 3.18Å; K1207-M1210 PolarHBondContact O-N 3.39Å; E1208-M1210 VanDerWaalsContact C-N 3.32Å; E1208-M1210 PolarHBondContact O-N 3.47Å; M1210-Q1213 PolarHBondContact O-N 3.12Å; M1210-K1214 HydrophobicContact CE-CD 4.37Å; M1210-K1214 PolarHBondContact O-N 2.69Å |
| 1211 | E | 82.5 | Confident | 84.5 | Confident | 102 Ų | 102 | 100.5 Ų | 100.5 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.5 | -35.2 | -179.3 | -146 | 65.7 | -150.1 | 0 | 0 | 111.9 | K1207 E1208 Q1213 K1214 G1215 | K1207-E1211 PolarHBondContact O-N 3.04Å; E1208-E1211 PolarHBondContact O-N 2.83Å; E1211-Q1213 VanDerWaalsContact C-N 3.29Å; E1211-Q1213 PolarHBondContact O-N 3Å; E1211-K1214 PolarHBondContact O-N 2.96Å; E1211-K1214 WeakPolarHBondContact OE1-CD 3.33Å; E1211-K1214 IonicContact OE1-NZ 3.46Å; E1211-K1214 PolarHBondContact OE1-NZ 2.86Å; E1211-K1214 WeakPolarHBondContact OE2-CD 3.47Å; E1211-K1214 WeakPolarHBondContact OE2-CE 3.48Å; E1211-K1214 IonicContact OE2-NZ 3.22Å; E1211-K1214 PolarHBondContact OE2-NZ 3.48Å; E1211-G1215 PolarHBondContact O-N 2.98Å |
| 1212 | Q | 83 | Confident | 84.2 | Confident | 89 Ų | 89 | 98.8 Ų | 98.8 | 42% | 0.416 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -40.9 | 165.2 | -77.8 | -165.8 | 27.4 | 0 | 0 | 111.3 | E1208 G1215 K1216 | E1208-Q1212 WeakPolarHBondContact O-CB 3.35Å; E1208-Q1212 WeakPolarHBondContact O-CG 3.31Å; E1208-Q1212 PolarHBondContact O-N 2.85Å; E1208-Q1212 PolarHBondContact OE1-NE2 3.27Å; Q1212-G1215 PolarHBondContact O-N 3.45Å; Q1212-K1216 WeakPolarHBondContact O-CB 3.44Å; Q1212-K1216 WeakPolarHBondContact O-CD 3.29Å; Q1212-K1216 WeakPolarHBondContact O-CG 3.39Å; Q1212-K1216 PolarHBondContact O-N 3.13Å |
| 1213 | Q | 84.7 | Confident | 84.1 | Confident | 120 Ų | 120 | 99.2 Ų | 99.2 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.4 | -36.6 | -179.1 | -169.6 | 67.3 | -8.5 | 0 | 0 | 112.2 | A1209 M1210 E1211 N1217 | A1209-Q1213 VanDerWaalsContact O-CB 3.25Å; A1209-Q1213 WeakPolarHBondContact O-CB 3.47Å; A1209-Q1213 PolarHBondContact O-N 2.91Å; M1210-Q1213 PolarHBondContact O-N 3.12Å; E1211-Q1213 VanDerWaalsContact C-N 3.29Å; E1211-Q1213 PolarHBondContact O-N 3Å; Q1213-N1217 VanDerWaalsContact O-CB 3.26Å; Q1213-N1217 WeakPolarHBondContact O-CB 3.4Å; Q1213-N1217 PolarHBondContact O-N 3.02Å |
| 1214 | K | 84.6 | Confident | 84.2 | Confident | 108 Ų | 108 | 100.1 Ų | 100.1 | 47% | 0.47 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.2 | -48 | 165.4 | -81.5 | 169 | 168.2 | 177.1 | 0 | 111.3 | M1210 E1211 N1217 N1218 | M1210-K1214 HydrophobicContact CE-CD 4.37Å; M1210-K1214 PolarHBondContact O-N 2.69Å; E1211-K1214 PolarHBondContact O-N 2.96Å; E1211-K1214 WeakPolarHBondContact OE1-CD 3.33Å; E1211-K1214 IonicContact OE1-NZ 3.46Å; E1211-K1214 PolarHBondContact OE1-NZ 2.86Å; E1211-K1214 WeakPolarHBondContact OE2-CD 3.47Å; E1211-K1214 WeakPolarHBondContact OE2-CE 3.48Å; E1211-K1214 IonicContact OE2-NZ 3.22Å; E1211-K1214 PolarHBondContact OE2-NZ 3.48Å; K1214-N1217 CarbonylContact O-C 3.53Å; K1214-N1217 PolarHBondContact O-N 3.47Å; K1214-N1217 VanDerWaalsContact O-N 3.13Å; K1214-N1218 WeakPolarHBondContact O-CB 3.36Å; K1214-N1218 PolarHBondContact O-N 3.26Å |
| 1215 | G | 83.1 | Confident | 84.1 | Confident | 35 Ų | 35 | 105.3 Ų | 105.3 | 36% | 0.361 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -54.3 | -55.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1211 Q1212 N1217 N1218 D1219 | E1211-G1215 PolarHBondContact O-N 2.98Å; Q1212-G1215 PolarHBondContact O-N 3.45Å; G1215-N1217 VanDerWaalsContact C-N 3.29Å; G1215-N1217 PolarHBondContact O-N 3.34Å; G1215-N1218 PolarHBondContact O-N 2.72Å; G1215-N1218 VanDerWaalsContact O-N 3.1Å; G1215-D1219 WeakPolarHBondContact O-CB 3.16Å; G1215-D1219 PolarHBondContact O-N 2.9Å |
| 1216 | K | 84.9 | Confident | 84 | Confident | 104 Ų | 104 | 106.4 Ų | 106.4 | 45% | 0.452 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56 | -38.5 | 174.6 | -68.6 | 159.4 | -165.4 | 166.8 | 0 | 112.6 | Q1212 L1220 | Q1212-K1216 WeakPolarHBondContact O-CB 3.44Å; Q1212-K1216 WeakPolarHBondContact O-CD 3.29Å; Q1212-K1216 WeakPolarHBondContact O-CG 3.39Å; Q1212-K1216 PolarHBondContact O-N 3.13Å; K1216-L1220 WeakPolarHBondContact O-CB 3.11Å; K1216-L1220 PolarHBondContact O-N 2.73Å |
| 1217 | N | 81.6 | Confident | 83.7 | Confident | 68 Ų | 68 | 103.1 Ų | 103.1 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.3 | -36 | 177.3 | -161.4 | -97.9 | 0 | 0 | 0 | 112.4 | Q1213 K1214 G1215 L1220 R1221 | Q1213-N1217 VanDerWaalsContact O-CB 3.26Å; Q1213-N1217 WeakPolarHBondContact O-CB 3.4Å; Q1213-N1217 PolarHBondContact O-N 3.02Å; K1214-N1217 CarbonylContact O-C 3.53Å; K1214-N1217 PolarHBondContact O-N 3.47Å; K1214-N1217 VanDerWaalsContact O-N 3.13Å; G1215-N1217 VanDerWaalsContact C-N 3.29Å; G1215-N1217 PolarHBondContact O-N 3.34Å; N1217-L1220 PolarHBondContact O-N 2.87Å; N1217-R1221 VanDerWaalsContact O-CG 3.31Å; N1217-R1221 WeakPolarHBondContact O-CG 3.5Å; N1217-R1221 PolarHBondContact O-N 3.25Å; N1217-R1221 VanDerWaalsContact OD1-CZ 3.26Å; N1217-R1221 PolarHBondContact OD1-NE 3.28Å; N1217-R1221 PolarHBondContact OD1-NH2 2.89Å |
| 1218 | N | 86.1 | Confident | 83.3 | Confident | 97 Ų | 97 | 103 Ų | 103 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.9 | -44 | 175.6 | -156.8 | 61.8 | 0 | 0 | 0 | 110.7 | K1214 G1215 L1220 R1221 E1222 | K1214-N1218 WeakPolarHBondContact O-CB 3.36Å; K1214-N1218 PolarHBondContact O-N 3.26Å; G1215-N1218 PolarHBondContact O-N 2.72Å; G1215-N1218 VanDerWaalsContact O-N 3.1Å; N1218-L1220 VanDerWaalsContact C-N 3.27Å; N1218-L1220 PolarHBondContact O-N 2.89Å; N1218-R1221 PolarHBondContact O-N 3.28Å; N1218-R1221 VanDerWaalsContact O-N 3.1Å; N1218-E1222 WeakPolarHBondContact O-CB 3.24Å; N1218-E1222 PolarHBondContact O-N 2.9Å |
| 1219 | D | 86.8 | Confident | 83.1 | Confident | 77 Ų | 77 | 102.2 Ų | 102.2 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -52.2 | -44.9 | 167.4 | -112.8 | 47.8 | 0 | 0 | 0 | 111.3 | G1215 K1223 | G1215-D1219 WeakPolarHBondContact O-CB 3.16Å; G1215-D1219 PolarHBondContact O-N 2.9Å; D1219-K1223 WeakPolarHBondContact O-CB 3.36Å; D1219-K1223 VanDerWaalsContact O-CD 3.32Å; D1219-K1223 WeakPolarHBondContact O-CD 3.38Å; D1219-K1223 WeakPolarHBondContact O-CG 3.49Å; D1219-K1223 PolarHBondContact O-N 2.71Å; D1219-K1223 VanDerWaalsContact OD2-CE 3.25Å; D1219-K1223 WeakPolarHBondContact OD2-CE 3.34Å; D1219-K1223 IonicContact OD2-NZ 2.69Å; D1219-K1223 PolarHBondContact OD2-NZ 3.21Å |
| 1220 | L | 84.2 | Confident | 82.7 | Confident | 98 Ų | 98 | 102.2 Ų | 102.2 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.3 | -34.8 | 177.2 | -94.3 | 163.8 | 0 | 0 | 0 | 113.2 | K1216 N1217 N1218 N1224 | K1216-L1220 WeakPolarHBondContact O-CB 3.11Å; K1216-L1220 PolarHBondContact O-N 2.73Å; N1217-L1220 PolarHBondContact O-N 2.87Å; N1218-L1220 VanDerWaalsContact C-N 3.27Å; N1218-L1220 PolarHBondContact O-N 2.89Å; L1220-N1224 VanDerWaalsContact O-CB 3.28Å; L1220-N1224 WeakPolarHBondContact O-CB 3.47Å; L1220-N1224 PolarHBondContact O-N 3.44Å; L1220-N1224 PolarHBondContact O-ND2 2.84Å |
| 1221 | R | 84.4 | Confident | 82.4 | Confident | 164 Ų | 164 | 101.9 Ų | 101.9 | 62% | 0.619 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.4 | -43.7 | 173.8 | -71.9 | 171.9 | -157.6 | -157.4 | 3.9 | 111.3 | N1217 N1218 N1224 W1225 | N1217-R1221 VanDerWaalsContact O-CG 3.31Å; N1217-R1221 WeakPolarHBondContact O-CG 3.5Å; N1217-R1221 PolarHBondContact O-N 3.25Å; N1217-R1221 VanDerWaalsContact OD1-CZ 3.26Å; N1217-R1221 PolarHBondContact OD1-NE 3.28Å; N1217-R1221 PolarHBondContact OD1-NH2 2.89Å; N1218-R1221 PolarHBondContact O-N 3.28Å; N1218-R1221 VanDerWaalsContact O-N 3.1Å; R1221-N1224 PolarHBondContact O-N 2.99Å; R1221-W1225 WeakPolarHBondContact O-CB 3.42Å; R1221-W1225 PolarHBondContact O-N 3.36Å |
| 1222 | E | 83 | Confident | 82.1 | Confident | 92 Ų | 92 | 98.7 Ų | 98.7 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 178.3 | -162 | -171.1 | 148.4 | 0 | 0 | 111.1 | N1218 W1225 K1226 | N1218-E1222 WeakPolarHBondContact O-CB 3.24Å; N1218-E1222 PolarHBondContact O-N 2.9Å; E1222-W1225 PolarHBondContact O-N 3.39Å; E1222-K1226 HydrophobicContact CG-CD 4.22Å; E1222-K1226 VanDerWaalsContact O-CB 3.26Å; E1222-K1226 WeakPolarHBondContact O-CB 3.36Å; E1222-K1226 VanDerWaalsContact O-CG 3.32Å; E1222-K1226 WeakPolarHBondContact O-CG 3.25Å; E1222-K1226 PolarHBondContact O-N 3.05Å; E1222-K1226 VanDerWaalsContact OE1-CE 3.31Å; E1222-K1226 WeakPolarHBondContact OE1-CE 3.42Å; E1222-K1226 IonicContact OE1-NZ 2.68Å; E1222-K1226 PolarHBondContact OE1-NZ 2.78Å |
| 1223 | K | 84 | Confident | 81.9 | Confident | 124 Ų | 124 | 99 Ų | 99 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 171.9 | -71.4 | 164.5 | -163.1 | 173.2 | 0 | 112.1 | D1219 A1227 | D1219-K1223 WeakPolarHBondContact O-CB 3.36Å; D1219-K1223 VanDerWaalsContact O-CD 3.32Å; D1219-K1223 WeakPolarHBondContact O-CD 3.38Å; D1219-K1223 WeakPolarHBondContact O-CG 3.49Å; D1219-K1223 PolarHBondContact O-N 2.71Å; D1219-K1223 VanDerWaalsContact OD2-CE 3.25Å; D1219-K1223 WeakPolarHBondContact OD2-CE 3.34Å; D1219-K1223 IonicContact OD2-NZ 2.69Å; D1219-K1223 PolarHBondContact OD2-NZ 3.21Å; K1223-A1227 WeakPolarHBondContact O-CB 3.43Å; K1223-A1227 PolarHBondContact O-N 3.45Å |
| 1224 | N | 82.6 | Confident | 81.4 | Confident | 104 Ų | 104 | 96 Ų | 96 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 172.2 | -89.1 | -76.9 | 0 | 0 | 0 | 111.9 | L1220 R1221 A1227 M1228 | L1220-N1224 VanDerWaalsContact O-CB 3.28Å; L1220-N1224 WeakPolarHBondContact O-CB 3.47Å; L1220-N1224 PolarHBondContact O-N 3.44Å; L1220-N1224 PolarHBondContact O-ND2 2.84Å; R1221-N1224 PolarHBondContact O-N 2.99Å; N1224-A1227 PolarHBondContact O-N 3.09Å; N1224-M1228 WeakPolarHBondContact O-CB 3.45Å; N1224-M1228 PolarHBondContact O-N 2.97Å |
| 1225 | W | 79.9 | Confident | 80.8 | Confident | 183 Ų | 183 | 96.4 Ų | 96.4 | 69% | 0.693 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.4 | -54 | 174.5 | -177 | -61.2 | 0 | 0 | 0 | 110 | R1221 E1222 A1227 M1228 E1229 | R1221-W1225 WeakPolarHBondContact O-CB 3.42Å; R1221-W1225 PolarHBondContact O-N 3.36Å; E1222-W1225 PolarHBondContact O-N 3.39Å; W1225-A1227 VanDerWaalsContact C-N 3.29Å; W1225-A1227 PolarHBondContact O-N 2.82Å; W1225-M1228 CarbonylContact O-C 3.57Å; W1225-M1228 PolarHBondContact O-N 2.82Å; W1225-M1228 VanDerWaalsContact O-N 3.11Å; W1225-E1229 VanDerWaalsContact CD1-OE2 3.25Å; W1225-E1229 PolarHBondContact NE1-OE2 2.95Å; W1225-E1229 VanDerWaalsContact O-CB 3.25Å; W1225-E1229 WeakPolarHBondContact O-CB 3.48Å; W1225-E1229 PolarHBondContact O-N 3.31Å |
| 1226 | K | 83.9 | Confident | 80.4 | Confident | 121 Ų | 121 | 102.2 Ų | 102.2 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 178.7 | -75.3 | 173.3 | 170.6 | 173 | 0 | 112.1 | E1222 A1230 | E1222-K1226 HydrophobicContact CG-CD 4.22Å; E1222-K1226 VanDerWaalsContact O-CB 3.26Å; E1222-K1226 WeakPolarHBondContact O-CB 3.36Å; E1222-K1226 VanDerWaalsContact O-CG 3.32Å; E1222-K1226 WeakPolarHBondContact O-CG 3.25Å; E1222-K1226 PolarHBondContact O-N 3.05Å; E1222-K1226 VanDerWaalsContact OE1-CE 3.31Å; E1222-K1226 WeakPolarHBondContact OE1-CE 3.42Å; E1222-K1226 IonicContact OE1-NZ 2.68Å; E1222-K1226 PolarHBondContact OE1-NZ 2.78Å; K1226-A1230 WeakPolarHBondContact O-CB 3.23Å; K1226-A1230 PolarHBondContact O-N 3.44Å |
| 1227 | A | 80.2 | Confident | 80.1 | Confident | 56 Ų | 56 | 99.1 Ų | 99.1 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | K1223 N1224 W1225 L1231 | K1223-A1227 WeakPolarHBondContact O-CB 3.43Å; K1223-A1227 PolarHBondContact O-N 3.45Å; N1224-A1227 PolarHBondContact O-N 3.09Å; W1225-A1227 VanDerWaalsContact C-N 3.29Å; W1225-A1227 PolarHBondContact O-N 2.82Å; A1227-L1231 WeakPolarHBondContact O-CA 3.35Å; A1227-L1231 WeakPolarHBondContact O-CB 3.35Å; A1227-L1231 PolarHBondContact O-N 3.06Å |
| 1228 | M | 77.3 | Confident | 79.6 | Confident | 145 Ų | 145 | 99.6 Ų | 99.6 | 71% | 0.714 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -80.6 | -29.9 | -177.3 | -166.9 | 171.9 | -170.8 | 0 | 0 | 112.5 | N1224 W1225 A1232 | N1224-M1228 WeakPolarHBondContact O-CB 3.45Å; N1224-M1228 PolarHBondContact O-N 2.97Å; W1225-M1228 CarbonylContact O-C 3.57Å; W1225-M1228 PolarHBondContact O-N 2.82Å; W1225-M1228 VanDerWaalsContact O-N 3.11Å; M1228-A1232 WeakPolarHBondContact O-CB 3.47Å; M1228-A1232 PolarHBondContact O-N 3.21Å |
| 1229 | E | 79.2 | Confident | 79 | Confident | 103 Ų | 103 | 99.9 Ų | 99.9 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.6 | -43.5 | 169.3 | -178.3 | 170.1 | -165.1 | 0 | 0 | 110.4 | W1225 L1231 A1232 L1233 | W1225-E1229 VanDerWaalsContact CD1-OE2 3.25Å; W1225-E1229 PolarHBondContact NE1-OE2 2.95Å; W1225-E1229 VanDerWaalsContact O-CB 3.25Å; W1225-E1229 WeakPolarHBondContact O-CB 3.48Å; W1225-E1229 PolarHBondContact O-N 3.31Å; E1229-L1231 VanDerWaalsContact C-N 3.29Å; E1229-L1231 PolarHBondContact O-N 3.15Å; E1229-A1232 PolarHBondContact O-N 3.32Å; E1229-L1233 HydrophobicContact CG-CD1 4.19Å; E1229-L1233 VanDerWaalsContact O-CB 3.23Å; E1229-L1233 WeakPolarHBondContact O-CB 3.38Å; E1229-L1233 VanDerWaalsContact O-CG 3.28Å; E1229-L1233 WeakPolarHBondContact O-CG 3.43Å; E1229-L1233 PolarHBondContact O-N 3.03Å |
| 1230 | A | 75.6 | Confident | 78.5 | Confident | 55 Ų | 55 | 102.5 Ų | 102.5 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -31.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | K1226 A1234 | K1226-A1230 WeakPolarHBondContact O-CB 3.23Å; K1226-A1230 PolarHBondContact O-N 3.44Å; A1230-A1234 WeakPolarHBondContact O-CA 3.45Å; A1230-A1234 WeakPolarHBondContact O-CB 3.48Å; A1230-A1234 PolarHBondContact O-N 3.49Å |
| 1231 | L | 77.8 | Confident | 78.1 | Confident | 94 Ų | 94 | 104.5 Ų | 104.5 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -78.4 | -34 | 175.8 | -171.9 | 152.4 | 0 | 0 | 0 | 111.3 | A1227 E1229 A1234 E1235 | A1227-L1231 WeakPolarHBondContact O-CA 3.35Å; A1227-L1231 WeakPolarHBondContact O-CB 3.35Å; A1227-L1231 PolarHBondContact O-N 3.06Å; E1229-L1231 VanDerWaalsContact C-N 3.29Å; E1229-L1231 PolarHBondContact O-N 3.15Å; L1231-A1234 CarbonylContact O-C 3.53Å; L1231-A1234 PolarHBondContact O-N 3.24Å; L1231-E1235 VanDerWaalsContact CD2-CD 3.45Å; L1231-E1235 HydrophobicContact CD2-CG 3.89Å; L1231-E1235 WeakPolarHBondContact O-CA 3.34Å; L1231-E1235 WeakPolarHBondContact O-CB 3.48Å; L1231-E1235 VanDerWaalsContact O-CG 3.26Å; L1231-E1235 WeakPolarHBondContact O-CG 3.49Å; L1231-E1235 PolarHBondContact O-N 2.86Å |
| 1232 | A | 76.6 | Confident | 77.8 | Confident | 36 Ų | 36 | 101.4 Ų | 101.4 | 30% | 0.298 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.4 | -33.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1228 E1229 R1236 | M1228-A1232 WeakPolarHBondContact O-CB 3.47Å; M1228-A1232 PolarHBondContact O-N 3.21Å; E1229-A1232 PolarHBondContact O-N 3.32Å; A1232-R1236 VanDerWaalsContact O-CB 3.28Å; A1232-R1236 WeakPolarHBondContact O-CB 3.37Å; A1232-R1236 PolarHBondContact O-N 3.32Å |
| 1233 | L | 79.8 | Confident | 77.4 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 168.4 | -74.9 | 170.2 | 0 | 0 | 0 | 110.8 | E1229 A1237 | E1229-L1233 HydrophobicContact CG-CD1 4.19Å; E1229-L1233 VanDerWaalsContact O-CB 3.23Å; E1229-L1233 WeakPolarHBondContact O-CB 3.38Å; E1229-L1233 VanDerWaalsContact O-CG 3.28Å; E1229-L1233 WeakPolarHBondContact O-CG 3.43Å; E1229-L1233 PolarHBondContact O-N 3.03Å; L1233-A1237 WeakPolarHBondContact O-CA 3.42Å; L1233-A1237 WeakPolarHBondContact O-CB 3.45Å; L1233-A1237 PolarHBondContact O-N 3.18Å |
| 1234 | A | 74.7 | Confident | 76.8 | Confident | 56 Ų | 56 | 102 Ų | 102 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.1 | -29.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1230 L1231 C1238 | A1230-A1234 WeakPolarHBondContact O-CA 3.45Å; A1230-A1234 WeakPolarHBondContact O-CB 3.48Å; A1230-A1234 PolarHBondContact O-N 3.49Å; L1231-A1234 CarbonylContact O-C 3.53Å; L1231-A1234 PolarHBondContact O-N 3.24Å; A1234-C1238 VanDerWaalsContact O-CA 3.27Å; A1234-C1238 WeakPolarHBondContact O-CA 3.48Å; A1234-C1238 WeakPolarHBondContact O-CB 3.26Å; A1234-C1238 PolarHBondContact O-N 2.88Å |
| 1235 | E | 72 | Confident | 76.4 | Confident | 118 Ų | 118 | 102 Ų | 102 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.4 | -45 | 173.3 | -85.8 | -179.5 | 155.1 | 0 | 0 | 109.8 | L1231 C1238 E1239 | L1231-E1235 VanDerWaalsContact CD2-CD 3.45Å; L1231-E1235 HydrophobicContact CD2-CG 3.89Å; L1231-E1235 WeakPolarHBondContact O-CA 3.34Å; L1231-E1235 WeakPolarHBondContact O-CB 3.48Å; L1231-E1235 VanDerWaalsContact O-CG 3.26Å; L1231-E1235 WeakPolarHBondContact O-CG 3.49Å; L1231-E1235 PolarHBondContact O-N 2.86Å; E1235-C1238 CarbonylContact O-C 3.59Å; E1235-C1238 PolarHBondContact O-N 3.2Å; E1235-E1239 VanDerWaalsContact O-CB 3.28Å; E1235-E1239 WeakPolarHBondContact O-CB 3.46Å; E1235-E1239 PolarHBondContact O-N 3.01Å |
| 1236 | R | 74.5 | Confident | 76.2 | Confident | 156 Ų | 156 | 96.2 Ų | 96.2 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -42 | 176.1 | -160.4 | -178.9 | -53.8 | 121.1 | 10.7 | 111.6 | A1232 C1238 E1239 E1240 | A1232-R1236 VanDerWaalsContact O-CB 3.28Å; A1232-R1236 WeakPolarHBondContact O-CB 3.37Å; A1232-R1236 PolarHBondContact O-N 3.32Å; R1236-C1238 VanDerWaalsContact C-N 3.33Å; R1236-E1239 PolarHBondContact O-N 3.26Å; R1236-E1240 VanDerWaalsContact O-CB 3.22Å; R1236-E1240 WeakPolarHBondContact O-CB 3.46Å; R1236-E1240 PolarHBondContact O-N 2.89Å |
| 1237 | A | 77.4 | Confident | 75.9 | Confident | 40 Ų | 40 | 96.1 Ų | 96.1 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.9 | -16.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | L1233 K1241 | L1233-A1237 WeakPolarHBondContact O-CA 3.42Å; L1233-A1237 WeakPolarHBondContact O-CB 3.45Å; L1233-A1237 PolarHBondContact O-N 3.18Å; A1237-K1241 WeakPolarHBondContact O-CA 3.29Å; A1237-K1241 WeakPolarHBondContact O-CB 3.4Å; A1237-K1241 WeakPolarHBondContact O-CD 3.4Å; A1237-K1241 WeakPolarHBondContact O-CG 3.28Å; A1237-K1241 PolarHBondContact O-N 2.9Å |
| 1238 | C | 71.2 | Confident | 75.5 | Confident | 77 Ų | 77 | 95.4 Ų | 95.4 | 52% | 0.52 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -92.2 | -16.7 | 168.6 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | A1234 E1235 R1236 L1242 | A1234-C1238 VanDerWaalsContact O-CA 3.27Å; A1234-C1238 WeakPolarHBondContact O-CA 3.48Å; A1234-C1238 WeakPolarHBondContact O-CB 3.26Å; A1234-C1238 PolarHBondContact O-N 2.88Å; E1235-C1238 CarbonylContact O-C 3.59Å; E1235-C1238 PolarHBondContact O-N 3.2Å; R1236-C1238 VanDerWaalsContact C-N 3.33Å; C1238-L1242 VanDerWaalsContact O-CA 3.27Å; C1238-L1242 WeakPolarHBondContact O-CA 3.22Å; C1238-L1242 WeakPolarHBondContact O-CB 3.42Å; C1238-L1242 PolarHBondContact O-N 2.88Å |
| 1239 | E | 73.5 | Confident | 75.2 | Confident | 104 Ų | 104 | 93.1 Ų | 93.1 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -77.9 | -43.6 | 165.2 | -99.3 | -160.8 | -131.8 | 0 | 0 | 109.8 | E1235 R1236 L1242 R1243 | E1235-E1239 VanDerWaalsContact O-CB 3.28Å; E1235-E1239 WeakPolarHBondContact O-CB 3.46Å; E1235-E1239 PolarHBondContact O-N 3.01Å; R1236-E1239 PolarHBondContact O-N 3.26Å; E1239-L1242 PolarHBondContact O-N 3.42Å; E1239-R1243 WeakPolarHBondContact O-CB 3.34Å; E1239-R1243 VanDerWaalsContact O-CG 3.25Å; E1239-R1243 WeakPolarHBondContact O-CG 3.48Å; E1239-R1243 PolarHBondContact O-N 2.68Å; E1239-R1243 IonicContact OE2-CZ 3.39Å; E1239-R1243 VanDerWaalsContact OE2-CZ 3.23Å; E1239-R1243 IonicContact OE2-NH1 3.49Å; E1239-R1243 PolarHBondContact OE2-NH1 3.48Å; E1239-R1243 IonicContact OE2-NH2 2.67Å; E1239-R1243 PolarHBondContact OE2-NH2 3.32Å |
| 1240 | E | 76.1 | Confident | 75 | Confident | 131 Ų | 131 | 93.1 Ų | 93.1 | 61% | 0.612 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -74.2 | -38.6 | 177.1 | -169.9 | 169.3 | -118.7 | 0 | 0 | 111.1 | R1236 S1244 | R1236-E1240 VanDerWaalsContact O-CB 3.22Å; R1236-E1240 WeakPolarHBondContact O-CB 3.46Å; R1236-E1240 PolarHBondContact O-N 2.89Å; E1240-S1244 VanDerWaalsContact O-CB 3.22Å; E1240-S1244 WeakPolarHBondContact O-CB 3.47Å; E1240-S1244 PolarHBondContact O-N 3.49Å; E1240-S1244 PolarHBondContact O-OG 2.72Å |
| 1241 | K | 76.5 | Confident | 74.8 | Confident | 141 Ų | 141 | 95 Ų | 95 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.3 | -42.9 | 163.9 | -71 | 173 | -179.7 | -178.7 | 0 | 111.8 | A1237 R1243 S1244 L1245 | A1237-K1241 WeakPolarHBondContact O-CA 3.29Å; A1237-K1241 WeakPolarHBondContact O-CB 3.4Å; A1237-K1241 WeakPolarHBondContact O-CD 3.4Å; A1237-K1241 WeakPolarHBondContact O-CG 3.28Å; A1237-K1241 PolarHBondContact O-N 2.9Å; K1241-R1243 PolarHBondContact O-N 2.88Å; K1241-S1244 CarbonylContact O-C 3.58Å; K1241-S1244 PolarHBondContact O-N 2.87Å; K1241-L1245 WeakPolarHBondContact O-CA 3.25Å; K1241-L1245 WeakPolarHBondContact O-CB 3.42Å; K1241-L1245 PolarHBondContact O-N 2.89Å |
| 1242 | L | 77.2 | Confident | 74.1 | Confident | 98 Ų | 98 | 93.5 Ų | 93.5 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -25.9 | 177.7 | -173.2 | 67.4 | 0 | 0 | 0 | 111.4 | C1238 E1239 T1246 | C1238-L1242 VanDerWaalsContact O-CA 3.27Å; C1238-L1242 WeakPolarHBondContact O-CA 3.22Å; C1238-L1242 WeakPolarHBondContact O-CB 3.42Å; C1238-L1242 PolarHBondContact O-N 2.88Å; E1239-L1242 PolarHBondContact O-N 3.42Å; L1242-T1246 WeakPolarHBondContact CD1-OG1 3.43Å; L1242-T1246 WeakPolarHBondContact O-CA 3.37Å; L1242-T1246 WeakPolarHBondContact O-CB 3.26Å; L1242-T1246 PolarHBondContact O-N 3.37Å; L1242-T1246 PolarHBondContact O-OG1 3.28Å |
| 1243 | R | 74.7 | Confident | 73.8 | Confident | 162 Ų | 162 | 95.4 Ų | 95.4 | 61% | 0.611 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.4 | -53.6 | 164 | -73.3 | 176.1 | -169.5 | 102.3 | 5.7 | 110.6 | E1239 K1241 L1245 T1246 Q1247 | E1239-R1243 WeakPolarHBondContact O-CB 3.34Å; E1239-R1243 VanDerWaalsContact O-CG 3.25Å; E1239-R1243 WeakPolarHBondContact O-CG 3.48Å; E1239-R1243 PolarHBondContact O-N 2.68Å; E1239-R1243 IonicContact OE2-CZ 3.39Å; E1239-R1243 VanDerWaalsContact OE2-CZ 3.23Å; E1239-R1243 IonicContact OE2-NH1 3.49Å; E1239-R1243 PolarHBondContact OE2-NH1 3.48Å; E1239-R1243 IonicContact OE2-NH2 2.67Å; E1239-R1243 PolarHBondContact OE2-NH2 3.32Å; K1241-R1243 PolarHBondContact O-N 2.88Å; R1243-L1245 VanDerWaalsContact C-N 3.26Å; R1243-L1245 PolarHBondContact O-N 2.99Å; R1243-T1246 PolarHBondContact O-N 3.27Å; R1243-Q1247 WeakPolarHBondContact O-CB 3.49Å; R1243-Q1247 PolarHBondContact O-N 2.88Å |
| 1244 | S | 71.8 | Confident | 73.3 | Confident | 68 Ų | 68 | 96.8 Ų | 96.8 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.6 | -13.8 | -178.3 | -51.8 | 0 | 0 | 0 | 0 | 114.9 | E1240 K1241 A1248 | E1240-S1244 VanDerWaalsContact O-CB 3.22Å; E1240-S1244 WeakPolarHBondContact O-CB 3.47Å; E1240-S1244 PolarHBondContact O-N 3.49Å; E1240-S1244 PolarHBondContact O-OG 2.72Å; K1241-S1244 CarbonylContact O-C 3.58Å; K1241-S1244 PolarHBondContact O-N 2.87Å; S1244-A1248 WeakPolarHBondContact O-CA 3.46Å; S1244-A1248 WeakPolarHBondContact O-CB 3.46Å; S1244-A1248 PolarHBondContact O-N 3.27Å |
| 1245 | L | 75.3 | Confident | 73.3 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -124 | -6.1 | -174.7 | -170.7 | 143.5 | 0 | 0 | 0 | 110.3 | K1241 R1243 K1249 | K1241-L1245 WeakPolarHBondContact O-CA 3.25Å; K1241-L1245 WeakPolarHBondContact O-CB 3.42Å; K1241-L1245 PolarHBondContact O-N 2.89Å; R1243-L1245 VanDerWaalsContact C-N 3.26Å; R1243-L1245 PolarHBondContact O-N 2.99Å; L1245-K1249 WeakPolarHBondContact O-CA 3.32Å; L1245-K1249 WeakPolarHBondContact O-CB 3.46Å; L1245-K1249 PolarHBondContact O-N 2.99Å |
| 1246 | T | 74.8 | Confident | 72.9 | Confident | 63 Ų | 63 | 97.9 Ų | 97.9 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -83.8 | -37.9 | 148.9 | -64.8 | 0 | 0 | 0 | 0 | 108.6 | L1242 R1243 K1249 E1250 | L1242-T1246 WeakPolarHBondContact CD1-OG1 3.43Å; L1242-T1246 WeakPolarHBondContact O-CA 3.37Å; L1242-T1246 WeakPolarHBondContact O-CB 3.26Å; L1242-T1246 PolarHBondContact O-N 3.37Å; L1242-T1246 PolarHBondContact O-OG1 3.28Å; R1243-T1246 PolarHBondContact O-N 3.27Å; T1246-K1249 CarbonylContact O-C 3.58Å; T1246-K1249 PolarHBondContact O-N 3.46Å; T1246-E1250 VanDerWaalsContact O-CB 3.28Å; T1246-E1250 WeakPolarHBondContact O-CB 3.38Å; T1246-E1250 PolarHBondContact O-N 3.39Å |
| 1247 | Q | 77.2 | Confident | 72.9 | Confident | 118 Ų | 118 | 96.4 Ų | 96.4 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.6 | -52.5 | 165.2 | -176.9 | 178.2 | -13.6 | 0 | 0 | 110.5 | R1243 K1249 E1250 E1251 | R1243-Q1247 WeakPolarHBondContact O-CB 3.49Å; R1243-Q1247 PolarHBondContact O-N 2.88Å; Q1247-K1249 VanDerWaalsContact C-N 3.29Å; Q1247-K1249 PolarHBondContact O-N 2.95Å; Q1247-E1250 CarbonylContact O-C 3.52Å; Q1247-E1250 WeakPolarHBondContact O-CB 3.27Å; Q1247-E1250 PolarHBondContact O-N 3.44Å; Q1247-E1250 VanDerWaalsContact O-N 3.13Å; Q1247-E1251 VanDerWaalsContact CG-OE1 3.27Å; Q1247-E1251 WeakPolarHBondContact CG-OE1 3.21Å; Q1247-E1251 PolarHBondContact NE2-OE1 3.02Å; Q1247-E1251 WeakPolarHBondContact O-CB 3.3Å; Q1247-E1251 WeakPolarHBondContact O-CG 3.3Å; Q1247-E1251 PolarHBondContact O-N 2.89Å |
| 1248 | A | 71.6 | Confident | 72.7 | Confident | 41 Ų | 41 | 98.5 Ų | 98.5 | 34% | 0.339 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -79.7 | 0.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1244 S1252 | S1244-A1248 WeakPolarHBondContact O-CA 3.46Å; S1244-A1248 WeakPolarHBondContact O-CB 3.46Å; S1244-A1248 PolarHBondContact O-N 3.27Å; A1248-S1252 VanDerWaalsContact O-CA 3.28Å; A1248-S1252 WeakPolarHBondContact O-CA 3.49Å; A1248-S1252 WeakPolarHBondContact O-CB 3.4Å; A1248-S1252 PolarHBondContact O-N 3.41Å |
| 1249 | K | 72.3 | Confident | 72.3 | Confident | 97 Ų | 97 | 96.6 Ų | 96.6 | 42% | 0.422 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -92 | -27.2 | 159 | 172.1 | -176.4 | 178.3 | -65.6 | 0 | 110.4 | L1245 T1246 Q1247 S1252 E1253 | L1245-K1249 WeakPolarHBondContact O-CA 3.32Å; L1245-K1249 WeakPolarHBondContact O-CB 3.46Å; L1245-K1249 PolarHBondContact O-N 2.99Å; T1246-K1249 CarbonylContact O-C 3.58Å; T1246-K1249 PolarHBondContact O-N 3.46Å; Q1247-K1249 VanDerWaalsContact C-N 3.29Å; Q1247-K1249 PolarHBondContact O-N 2.95Å; K1249-S1252 CarbonylContact O-C 3.51Å; K1249-E1253 WeakPolarHBondContact CE-OE1 3.44Å; K1249-E1253 VanDerWaalsContact CG-CD 3.5Å; K1249-E1253 HydrophobicContact CG-CG 3.87Å; K1249-E1253 WeakPolarHBondContact CG-OE2 3.43Å; K1249-E1253 IonicContact NZ-OE1 2.71Å; K1249-E1253 PolarHBondContact NZ-OE1 2.93Å; K1249-E1253 IonicContact NZ-OE2 2.68Å; K1249-E1253 PolarHBondContact NZ-OE2 3.27Å; K1249-E1253 WeakPolarHBondContact O-CA 3.43Å; K1249-E1253 WeakPolarHBondContact O-CB 3.32Å; K1249-E1253 WeakPolarHBondContact O-CG 3.49Å; K1249-E1253 PolarHBondContact O-N 3.27Å |
| 1250 | E | 74.1 | Confident | 71.9 | Confident | 103 Ų | 103 | 94 Ų | 94 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.3 | -45 | 166.2 | -90.1 | -164 | -140.7 | 0 | 0 | 110.1 | T1246 Q1247 K1254 | T1246-E1250 VanDerWaalsContact O-CB 3.28Å; T1246-E1250 WeakPolarHBondContact O-CB 3.38Å; T1246-E1250 PolarHBondContact O-N 3.39Å; Q1247-E1250 CarbonylContact O-C 3.52Å; Q1247-E1250 WeakPolarHBondContact O-CB 3.27Å; Q1247-E1250 PolarHBondContact O-N 3.44Å; Q1247-E1250 VanDerWaalsContact O-N 3.13Å; E1250-K1254 WeakPolarHBondContact O-CB 3.45Å; E1250-K1254 WeakPolarHBondContact O-CD 3.25Å; E1250-K1254 VanDerWaalsContact O-CE 3.26Å; E1250-K1254 WeakPolarHBondContact O-CE 3.4Å; E1250-K1254 WeakPolarHBondContact O-CG 3.19Å; E1250-K1254 PolarHBondContact O-N 3.48Å; E1250-K1254 IonicContact OE2-NZ 2.59Å; E1250-K1254 PolarHBondContact OE2-NZ 2.98Å |
| 1251 | E | 71.5 | Confident | 71.5 | Confident | 96 Ų | 96 | 90.4 Ų | 90.4 | 45% | 0.449 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73.5 | -33.4 | 174.5 | -62.9 | 167.6 | -165.3 | 0 | 0 | 111.2 | Q1247 Q1255 | Q1247-E1251 VanDerWaalsContact CG-OE1 3.27Å; Q1247-E1251 WeakPolarHBondContact CG-OE1 3.21Å; Q1247-E1251 PolarHBondContact NE2-OE1 3.02Å; Q1247-E1251 WeakPolarHBondContact O-CB 3.3Å; Q1247-E1251 WeakPolarHBondContact O-CG 3.3Å; Q1247-E1251 PolarHBondContact O-N 2.89Å; E1251-Q1255 WeakPolarHBondContact O-CA 3.47Å; E1251-Q1255 WeakPolarHBondContact O-CB 3.49Å; E1251-Q1255 WeakPolarHBondContact O-CG 3.33Å; E1251-Q1255 PolarHBondContact O-N 3.39Å |
| 1252 | S | 63.8 | Low | 71.2 | Confident | 62 Ų | 62 | 88.2 Ų | 88.2 | 43% | 0.434 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -88.1 | -4.5 | 172.1 | -164 | 0 | 0 | 0 | 0 | 115 | A1248 K1249 L1256 | A1248-S1252 VanDerWaalsContact O-CA 3.28Å; A1248-S1252 WeakPolarHBondContact O-CA 3.49Å; A1248-S1252 WeakPolarHBondContact O-CB 3.4Å; A1248-S1252 PolarHBondContact O-N 3.41Å; K1249-S1252 CarbonylContact O-C 3.51Å; S1252-L1256 VanDerWaalsContact O-CA 3.31Å; S1252-L1256 WeakPolarHBondContact O-CA 3.43Å; S1252-L1256 WeakPolarHBondContact O-CB 3.48Å; S1252-L1256 PolarHBondContact O-N 3.49Å |
| 1253 | E | 70.1 | Confident | 70.1 | Confident | 76 Ų | 76 | 86.5 Ų | 86.5 | 36% | 0.355 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -95.3 | -29.6 | 160.9 | -74 | 172.3 | 152.6 | 0 | 0 | 108.8 | K1249 Q1255 H1257 | K1249-E1253 WeakPolarHBondContact CE-OE1 3.44Å; K1249-E1253 VanDerWaalsContact CG-CD 3.5Å; K1249-E1253 HydrophobicContact CG-CG 3.87Å; K1249-E1253 WeakPolarHBondContact CG-OE2 3.43Å; K1249-E1253 IonicContact NZ-OE1 2.71Å; K1249-E1253 PolarHBondContact NZ-OE1 2.93Å; K1249-E1253 IonicContact NZ-OE2 2.68Å; K1249-E1253 PolarHBondContact NZ-OE2 3.27Å; K1249-E1253 WeakPolarHBondContact O-CA 3.43Å; K1249-E1253 WeakPolarHBondContact O-CB 3.32Å; K1249-E1253 WeakPolarHBondContact O-CG 3.49Å; K1249-E1253 PolarHBondContact O-N 3.27Å; E1253-Q1255 VanDerWaalsContact C-N 3.29Å; E1253-H1257 WeakPolarHBondContact O-CA 3.43Å; E1253-H1257 WeakPolarHBondContact O-CB 3.38Å; E1253-H1257 PolarHBondContact O-CD2 2.67Å; E1253-H1257 PolarHBondContact O-N 2.86Å |
| 1254 | K | 69.2 | Low | 69.9 | Low | 123 Ų | 123 | 81.4 Ų | 81.4 | 54% | 0.535 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 161.1 | -69.9 | 154.8 | -150.6 | 169.1 | 0 | 109.4 | E1250 L1258 | E1250-K1254 WeakPolarHBondContact O-CB 3.45Å; E1250-K1254 WeakPolarHBondContact O-CD 3.25Å; E1250-K1254 VanDerWaalsContact O-CE 3.26Å; E1250-K1254 WeakPolarHBondContact O-CE 3.4Å; E1250-K1254 WeakPolarHBondContact O-CG 3.19Å; E1250-K1254 PolarHBondContact O-N 3.48Å; E1250-K1254 IonicContact OE2-NZ 2.59Å; E1250-K1254 PolarHBondContact OE2-NZ 2.98Å; K1254-L1258 WeakPolarHBondContact O-CB 3.31Å; K1254-L1258 PolarHBondContact O-N 2.83Å |
| 1255 | Q | 73.9 | Confident | 69.3 | Low | 112 Ų | 112 | 84.8 Ų | 84.8 | 52% | 0.523 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -87.8 | -14.4 | 177.7 | -66.3 | -82.5 | 35.3 | 0 | 0 | 115.2 | E1251 E1253 L1258 A1259 | E1251-Q1255 WeakPolarHBondContact O-CA 3.47Å; E1251-Q1255 WeakPolarHBondContact O-CB 3.49Å; E1251-Q1255 WeakPolarHBondContact O-CG 3.33Å; E1251-Q1255 PolarHBondContact O-N 3.39Å; E1253-Q1255 VanDerWaalsContact C-N 3.29Å; Q1255-L1258 VanDerWaalsContact OE1-CD2 3.23Å; Q1255-A1259 WeakPolarHBondContact O-CA 3.39Å; Q1255-A1259 WeakPolarHBondContact O-CB 3.47Å; Q1255-A1259 PolarHBondContact O-N 3.28Å |
| 1256 | L | 64.3 | Low | 68.4 | Low | 85 Ų | 85 | 83.3 Ų | 83.3 | 45% | 0.445 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -100.5 | -14.1 | 169.1 | -171.7 | 135.7 | 0 | 0 | 0 | 111.9 | S1252 E1260 | S1252-L1256 VanDerWaalsContact O-CA 3.31Å; S1252-L1256 WeakPolarHBondContact O-CA 3.43Å; S1252-L1256 WeakPolarHBondContact O-CB 3.48Å; S1252-L1256 PolarHBondContact O-N 3.49Å; L1256-E1260 HydrophobicContact CD2-CG 3.9Å; L1256-E1260 HydrophobicContact CG-CG 4.14Å; L1256-E1260 WeakPolarHBondContact O-CA 3.44Å; L1256-E1260 WeakPolarHBondContact O-CB 3.34Å; L1256-E1260 VanDerWaalsContact O-CG 3.32Å; L1256-E1260 WeakPolarHBondContact O-CG 3.43Å; L1256-E1260 PolarHBondContact O-N 3.37Å |
| 1257 | H | 75.5 | Confident | 67.4 | Low | 126 Ų | 126 | 82.5 Ų | 82.5 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -76.3 | -34.8 | 152.2 | -65.5 | -48 | 0 | 0 | 0 | 110.3 | E1253 A1261 | E1253-H1257 WeakPolarHBondContact O-CA 3.43Å; E1253-H1257 WeakPolarHBondContact O-CB 3.38Å; E1253-H1257 PolarHBondContact O-CD2 2.67Å; E1253-H1257 PolarHBondContact O-N 2.86Å; H1257-A1261 WeakPolarHBondContact O-CA 3.3Å; H1257-A1261 WeakPolarHBondContact O-CB 3.48Å; H1257-A1261 PolarHBondContact O-N 2.97Å |
| 1258 | L | 72.8 | Confident | 67 | Low | 83 Ų | 83 | 80.3 Ų | 80.3 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | 169.4 | -157.2 | 76.8 | 0 | 0 | 0 | 112 | K1254 Q1255 Q1262 | K1254-L1258 WeakPolarHBondContact O-CB 3.31Å; K1254-L1258 PolarHBondContact O-N 2.83Å; Q1255-L1258 VanDerWaalsContact OE1-CD2 3.23Å; L1258-Q1262 VanDerWaalsContact O-CB 3.22Å; L1258-Q1262 WeakPolarHBondContact O-CB 3.45Å; L1258-Q1262 WeakPolarHBondContact O-CG 3.5Å; L1258-Q1262 PolarHBondContact O-N 2.88Å |
| 1259 | A | 61.6 | Low | 66.2 | Low | 38 Ų | 38 | 81.7 Ų | 81.7 | 31% | 0.314 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -91.7 | -18.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1255 T1263 | Q1255-A1259 WeakPolarHBondContact O-CA 3.39Å; Q1255-A1259 WeakPolarHBondContact O-CB 3.47Å; Q1255-A1259 PolarHBondContact O-N 3.28Å; A1259-T1263 VanDerWaalsContact O-CA 3.3Å; A1259-T1263 WeakPolarHBondContact O-CA 3.41Å; A1259-T1263 WeakPolarHBondContact O-CB 3.38Å; A1259-T1263 PolarHBondContact O-N 3.28Å; A1259-T1263 PolarHBondContact O-OG1 2.84Å |
| 1260 | E | 65.2 | Low | 65.3 | Low | 49 Ų | 49 | 83 Ų | 83 | 23% | 0.229 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -78.4 | -30.6 | 156.4 | -77.4 | -164.9 | 173.4 | 0 | 0 | 110.6 | L1256 K1264 | L1256-E1260 HydrophobicContact CD2-CG 3.9Å; L1256-E1260 HydrophobicContact CG-CG 4.14Å; L1256-E1260 WeakPolarHBondContact O-CA 3.44Å; L1256-E1260 WeakPolarHBondContact O-CB 3.34Å; L1256-E1260 VanDerWaalsContact O-CG 3.32Å; L1256-E1260 WeakPolarHBondContact O-CG 3.43Å; L1256-E1260 PolarHBondContact O-N 3.37Å; E1260-K1264 HydrophobicContact CB-CD 4.23Å; E1260-K1264 WeakPolarHBondContact O-CA 3.41Å; E1260-K1264 WeakPolarHBondContact O-CB 3.39Å; E1260-K1264 WeakPolarHBondContact O-CD 3.44Å; E1260-K1264 WeakPolarHBondContact O-CG 3.39Å; E1260-K1264 PolarHBondContact O-N 3.16Å; E1260-K1264 WeakPolarHBondContact OE2-CE 3.5Å; E1260-K1264 IonicContact OE2-NZ 2.69Å; E1260-K1264 PolarHBondContact OE2-NZ 2.91Å |
| 1261 | A | 68.1 | Low | 64.2 | Low | 55 Ų | 55 | 82.4 Ų | 82.4 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.4 | -54.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | H1257 T1263 K1264 E1265 | H1257-A1261 WeakPolarHBondContact O-CA 3.3Å; H1257-A1261 WeakPolarHBondContact O-CB 3.48Å; H1257-A1261 PolarHBondContact O-N 2.97Å; A1261-T1263 PolarHBondContact O-N 2.64Å; A1261-K1264 PolarHBondContact O-N 3.4Å; A1261-E1265 WeakPolarHBondContact O-CB 3.35Å; A1261-E1265 PolarHBondContact O-N 2.98Å |
| 1262 | Q | 70 | Confident | 63.2 | Low | 96 Ų | 96 | 82.4 Ų | 82.4 | 45% | 0.449 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.8 | -30.1 | 178.5 | -72.7 | 174.1 | -11.3 | 0 | 0 | 113.6 | L1258 E1265 T1266 | L1258-Q1262 VanDerWaalsContact O-CB 3.22Å; L1258-Q1262 WeakPolarHBondContact O-CB 3.45Å; L1258-Q1262 WeakPolarHBondContact O-CG 3.5Å; L1258-Q1262 PolarHBondContact O-N 2.88Å; Q1262-E1265 CarbonylContact O-C 3.57Å; Q1262-T1266 WeakPolarHBondContact O-CA 3.42Å; Q1262-T1266 WeakPolarHBondContact O-CB 3.26Å; Q1262-T1266 PolarHBondContact O-N 3.07Å; Q1262-T1266 PolarHBondContact O-OG1 2.93Å |
| 1263 | T | 55.1 | Low | 62.7 | Low | 61 Ų | 61 | 83.1 Ų | 83.1 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -90.4 | -20.8 | 177.2 | -53 | 0 | 0 | 0 | 0 | 112.5 | A1259 A1261 L1267 | A1259-T1263 VanDerWaalsContact O-CA 3.3Å; A1259-T1263 WeakPolarHBondContact O-CA 3.41Å; A1259-T1263 WeakPolarHBondContact O-CB 3.38Å; A1259-T1263 PolarHBondContact O-N 3.28Å; A1259-T1263 PolarHBondContact O-OG1 2.84Å; A1261-T1263 PolarHBondContact O-N 2.64Å; T1263-L1267 HydrophobicContact CG2-CD1 3.81Å; T1263-L1267 HydrophobicContact CG2-CG 3.92Å; T1263-L1267 WeakPolarHBondContact O-CA 3.24Å; T1263-L1267 WeakPolarHBondContact O-CB 3.28Å; T1263-L1267 PolarHBondContact O-N 2.86Å |
| 1264 | K | 69.7 | Low | 61.9 | Low | 55 Ų | 55 | 83.1 Ų | 83.1 | 24% | 0.239 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -71.4 | -46.1 | 160.3 | -68.6 | 164.8 | 172.4 | 167.6 | 0 | 108 | E1260 A1261 T1266 L1268 Q1280 | E1260-K1264 HydrophobicContact CB-CD 4.23Å; E1260-K1264 WeakPolarHBondContact O-CA 3.41Å; E1260-K1264 WeakPolarHBondContact O-CB 3.39Å; E1260-K1264 WeakPolarHBondContact O-CD 3.44Å; E1260-K1264 WeakPolarHBondContact O-CG 3.39Å; E1260-K1264 PolarHBondContact O-N 3.16Å; E1260-K1264 WeakPolarHBondContact OE2-CE 3.5Å; E1260-K1264 IonicContact OE2-NZ 2.69Å; E1260-K1264 PolarHBondContact OE2-NZ 2.91Å; A1261-K1264 PolarHBondContact O-N 3.4Å; K1264-T1266 VanDerWaalsContact C-N 3.27Å; K1264-T1266 PolarHBondContact O-N 3.21Å; K1264-L1268 HydrophobicContact CB-CD1 4.37Å; K1264-L1268 WeakPolarHBondContact O-CA 3.31Å; K1264-L1268 WeakPolarHBondContact O-CB 3.4Å; K1264-L1268 WeakPolarHBondContact O-CD1 3.48Å; K1264-L1268 WeakPolarHBondContact O-CG 3.43Å; K1264-L1268 PolarHBondContact O-N 3.49Å; K1264-Q1280 PolarHBondContact NZ-O 3.35Å |
| 1265 | E | 59.9 | Low | 61 | Low | 139 Ų | 139 | 83 Ų | 83 | 65% | 0.65 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -56.7 | -34.1 | 170.5 | -173 | 173 | -143.9 | 0 | 0 | 113 | A1261 Q1262 A1269 | A1261-E1265 WeakPolarHBondContact O-CB 3.35Å; A1261-E1265 PolarHBondContact O-N 2.98Å; Q1262-E1265 CarbonylContact O-C 3.57Å; E1265-A1269 VanDerWaalsContact O-CB 3.26Å; E1265-A1269 WeakPolarHBondContact O-CB 3.28Å; E1265-A1269 PolarHBondContact O-N 2.89Å |
| 1266 | T | 55.1 | Low | 60.2 | Low | 72 Ų | 72 | 80.5 Ų | 80.5 | 44% | 0.442 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -91.6 | -36.1 | -179.6 | -58.3 | 0 | 0 | 0 | 0 | 114 | Q1262 K1264 A1269 L1270 | Q1262-T1266 WeakPolarHBondContact O-CA 3.42Å; Q1262-T1266 WeakPolarHBondContact O-CB 3.26Å; Q1262-T1266 PolarHBondContact O-N 3.07Å; Q1262-T1266 PolarHBondContact O-OG1 2.93Å; K1264-T1266 VanDerWaalsContact C-N 3.27Å; K1264-T1266 PolarHBondContact O-N 3.21Å; T1266-A1269 CarbonylContact O-C 3.43Å; T1266-A1269 WeakPolarHBondContact O-CB 3.43Å; T1266-A1269 PolarHBondContact O-N 2.98Å; T1266-L1270 HydrophobicContact CG2-CD1 4.01Å; T1266-L1270 HydrophobicContact CG2-CG 4.39Å; T1266-L1270 WeakPolarHBondContact O-CB 3.45Å; T1266-L1270 WeakPolarHBondContact O-CG 3.48Å; T1266-L1270 PolarHBondContact O-N 3.43Å |
| 1267 | L | 54.3 | Low | 59.2 | Low | 46 Ų | 46 | 79.8 Ų | 79.8 | 24% | 0.241 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -76.2 | -30.4 | 171.9 | -76.2 | 172.9 | 0 | 0 | 0 | 111.8 | T1263 A1269 L1270 L1271 W1285 | T1263-L1267 HydrophobicContact CG2-CD1 3.81Å; T1263-L1267 HydrophobicContact CG2-CG 3.92Å; T1263-L1267 WeakPolarHBondContact O-CA 3.24Å; T1263-L1267 WeakPolarHBondContact O-CB 3.28Å; T1263-L1267 PolarHBondContact O-N 2.86Å; L1267-A1269 PolarHBondContact O-N 3.24Å; L1267-L1270 HydrophobicContact CD2-CD1 4.16Å; L1267-L1270 PolarHBondContact O-N 3.35Å; L1267-L1271 CarbonylContact O-C 3.6Å; L1267-L1271 WeakPolarHBondContact O-CA 3.5Å; L1267-L1271 PolarHBondContact O-N 2.97Å; L1267-W1285 HydrophobicContact CD1-CH2 3.86Å; L1267-W1285 HydrophobicContact CD1-CZ3 4.26Å |
| 1268 | L | 69.8 | Low | 58.4 | Low | 71 Ų | 71 | 77.3 Ų | 77.3 | 37% | 0.372 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.4 | -16.3 | 165.6 | -61.6 | 168 | 0 | 0 | 0 | 111.8 | K1264 P1272 L1274 | K1264-L1268 HydrophobicContact CB-CD1 4.37Å; K1264-L1268 WeakPolarHBondContact O-CA 3.31Å; K1264-L1268 WeakPolarHBondContact O-CB 3.4Å; K1264-L1268 WeakPolarHBondContact O-CD1 3.48Å; K1264-L1268 WeakPolarHBondContact O-CG 3.43Å; K1264-L1268 PolarHBondContact O-N 3.49Å; L1268-P1272 VanDerWaalsContact O-CA 3.23Å; L1268-P1272 WeakPolarHBondContact O-CA 3.47Å; L1268-P1272 WeakPolarHBondContact O-CB 3.39Å; L1268-P1272 WeakPolarHBondContact O-CG 3.4Å; L1268-L1274 VanDerWaalsContact CD2-O 3.22Å; L1268-L1274 WeakPolarHBondContact CD2-O 3.2Å |
| 1269 | A | 53.2 | Low | 57.4 | Low | 71 Ų | 71 | 82.3 Ų | 82.3 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -87.2 | -33.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1265 T1266 L1267 | E1265-A1269 VanDerWaalsContact O-CB 3.26Å; E1265-A1269 WeakPolarHBondContact O-CB 3.28Å; E1265-A1269 PolarHBondContact O-N 2.89Å; T1266-A1269 CarbonylContact O-C 3.43Å; T1266-A1269 WeakPolarHBondContact O-CB 3.43Å; T1266-A1269 PolarHBondContact O-N 2.98Å; L1267-A1269 PolarHBondContact O-N 3.24Å |
| 1270 | L | 53.2 | Low | 57.2 | Low | 123 Ų | 123 | 85.4 Ų | 85.4 | 64% | 0.644 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -81.6 | -35.6 | 179.3 | -77.4 | 166.8 | 0 | 0 | 0 | 113.2 | T1266 L1267 | T1266-L1270 HydrophobicContact CG2-CD1 4.01Å; T1266-L1270 HydrophobicContact CG2-CG 4.39Å; T1266-L1270 WeakPolarHBondContact O-CB 3.45Å; T1266-L1270 WeakPolarHBondContact O-CG 3.48Å; T1266-L1270 PolarHBondContact O-N 3.43Å; L1267-L1270 HydrophobicContact CD2-CD1 4.16Å; L1267-L1270 PolarHBondContact O-N 3.35Å |
| 1271 | L | 52.7 | Low | 57 | Low | 91 Ų | 91 | 88.2 Ų | 88.2 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -131.7 | 65.8 | 178.6 | -70.2 | 163.9 | 0 | 0 | 0 | 110.2 | L1267 G1273 L1274 | L1267-L1271 CarbonylContact O-C 3.6Å; L1267-L1271 WeakPolarHBondContact O-CA 3.5Å; L1267-L1271 PolarHBondContact O-N 2.97Å; L1271-G1273 PolarHBondContact O-N 3.33Å; L1271-L1274 HydrophobicContact CB-CD1 3.99Å; L1271-L1274 HydrophobicContact CB-CG 4.37Å; L1271-L1274 HydrophobicContact CD1-CD1 3.91Å; L1271-L1274 HydrophobicContact CG-CD1 4.48Å; L1271-L1274 PolarHBondContact O-N 3.5Å |
| 1272 | P | 50.4 | Low | 56.6 | Low | 97 Ų | 97 | 91 Ų | 91 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14 | -172.5 | -21.5 | 32.6 | 0 | 0 | 0 | 115.7 | L1268 L1274 | L1268-P1272 VanDerWaalsContact O-CA 3.23Å; L1268-P1272 WeakPolarHBondContact O-CA 3.47Å; L1268-P1272 WeakPolarHBondContact O-CB 3.39Å; L1268-P1272 WeakPolarHBondContact O-CG 3.4Å; P1272-L1274 VanDerWaalsContact C-N 3.35Å |
| 1273 | G | 52.7 | Low | 56 | Low | 77 Ų | 77 | 89.7 Ų | 89.7 | 79% | 0.794 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -15.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1271 S1275 | L1271-G1273 PolarHBondContact O-N 3.33Å; G1273-S1275 PolarHBondContact O-N 2.62Å; G1273-S1275 VanDerWaalsContact O-N 3.13Å |
| 1274 | L | 54 | Low | 56.8 | Low | 76 Ų | 76 | 95.3 Ų | 95.3 | 40% | 0.398 | 55% | 0.547 | S | S | . | . | trans | -87.1 | 75.4 | 178 | -72.4 | 176.6 | 0 | 0 | 0 | 110.9 | L1268 L1271 P1272 I1276 W1285 | L1268-L1274 VanDerWaalsContact CD2-O 3.22Å; L1268-L1274 WeakPolarHBondContact CD2-O 3.2Å; L1271-L1274 HydrophobicContact CB-CD1 3.99Å; L1271-L1274 HydrophobicContact CB-CG 4.37Å; L1271-L1274 HydrophobicContact CD1-CD1 3.91Å; L1271-L1274 HydrophobicContact CG-CD1 4.48Å; L1271-L1274 PolarHBondContact O-N 3.5Å; P1272-L1274 VanDerWaalsContact C-N 3.35Å; L1274-I1276 HydrophobicContact CB-CD1 3.94Å; L1274-I1276 HydrophobicContact CB-CG1 4.35Å; L1274-I1276 PolarHBondContact O-N 2.81Å; L1274-W1285 HydrophobicContact CD1-CZ2 4.15Å | ||
| 1275 | S | 50.6 | Low | 56.5 | Low | 120 Ų | 120 | 97.5 Ų | 97.5 | 84% | 0.839 | 55% | 0.554 | S | S | * | * | trans | -71.5 | 76.7 | 173.5 | -164.4 | 0 | 0 | 0 | 0 | 111.3 | G1273 | G1273-S1275 PolarHBondContact O-N 2.62Å; G1273-S1275 VanDerWaalsContact O-N 3.13Å | ||
| 1276 | I | 56 | Low | 55.8 | Low | 60 Ų | 60 | 95.9 Ų | 95.9 | 31% | 0.308 | 55% | 0.549 | S | S | . | . | trans | -85.6 | 140.2 | 173 | -52.9 | 138 | 0 | 0 | 0 | 107.5 | L1274 A1278 Q1280 W1285 | L1274-I1276 HydrophobicContact CB-CD1 3.94Å; L1274-I1276 HydrophobicContact CB-CG1 4.35Å; L1274-I1276 PolarHBondContact O-N 2.81Å; I1276-A1278 PolarHBondContact O-N 2.84Å; I1276-Q1280 HydrophobicContact CG2-CB 4.32Å; I1276-W1285 HydrophobicContact CD1-CZ2 4.21Å | ||
| 1277 | S | 42.9 | Very low | 55.9 | Low | 70 Ų | 70 | 101.4 Ų | 101.4 | 49% | 0.49 | 57% | 0.57 | S | S | . | * | trans | -62.6 | 131.3 | -176.6 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | H1279 Q1280 | S1277-H1279 PolarHBondContact O-N 3.4Å; S1277-Q1280 VanDerWaalsContact CB-OE1 3.28Å; S1277-Q1280 WeakPolarHBondContact O-CB 3.5Å; S1277-Q1280 PolarHBondContact O-N 2.84Å | ||
| 1278 | A | 58.8 | Low | 56.2 | Low | 74 Ų | 74 | 108.5 Ų | 108.5 | 61% | 0.612 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1276 | I1276-A1278 PolarHBondContact O-N 2.84Š|
| 1279 | H | 52.3 | Low | 55.1 | Low | 188 Ų | 188 | 113.5 Ų | 113.5 | 87% | 0.87 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 20.3 | 172.1 | -82.3 | 26.9 | 0 | 0 | 0 | 113.2 | S1277 | S1277-H1279 PolarHBondContact O-N 3.4Š|
| 1280 | Q | 57.5 | Low | 54.1 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 48% | 0.477 | 63% | 0.633 | S | S | . | * | trans | -94.8 | 162.7 | 177.1 | -87.3 | 175.4 | -43.5 | 0 | 0 | 115.3 | K1264 I1276 S1277 | K1264-Q1280 PolarHBondContact NZ-O 3.35Å; I1276-Q1280 HydrophobicContact CG2-CB 4.32Å; S1277-Q1280 VanDerWaalsContact CB-OE1 3.28Å; S1277-Q1280 WeakPolarHBondContact O-CB 3.5Å; S1277-Q1280 PolarHBondContact O-N 2.84Å | ||
| 1281 | N | 60.8 | Low | 53.9 | Low | 108 Ų | 108 | 121.2 Ų | 121.2 | 58% | 0.578 | 64% | 0.639 | S | S | * | * | trans | -78.7 | 157.1 | 179 | -169.7 | -64 | 0 | 0 | 0 | 112.4 | A1283 | N1281-A1283 PolarHBondContact OD1-N 2.99Š| ||
| 1282 | Y | 59.6 | Low | 52.1 | Low | 114 Ų | 114 | 125.3 Ų | 125.3 | 45% | 0.447 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -96.9 | -15.2 | -173.6 | -167.8 | -100.7 | 0 | 0 | 0 | 115.4 | W1285 L1286 | Y1282-W1285 HydrophobicContact CE2-CE3 4.14Å; Y1282-W1285 HydrophobicContact CE2-CZ3 4.22Å; Y1282-W1285 WeakPolarHBondContact O-CB 3.31Å; Y1282-L1286 HydrophobicContact CE1-CD1 4.13Å |
| 1283 | A | 56.4 | Low | 50 | Low | 68 Ų | 68 | 124.5 Ų | 124.5 | 56% | 0.562 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -91.1 | -32.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1281 W1285 L1286 | N1281-A1283 PolarHBondContact OD1-N 2.99Å; A1283-W1285 PolarHBondContact O-N 3.18Å; A1283-W1285 VanDerWaalsContact O-N 3.15Å; A1283-L1286 PolarHBondContact O-N 2.68Å |
| 1284 | E | 72 | Confident | 48.1 | Very low | 179 Ų | 179 | 127.2 Ų | 127.2 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -13.1 | 171.5 | -63.7 | -178.6 | 133.4 | 0 | 0 | 112 | L1286 | E1284-L1286 VanDerWaalsContact C-N 3.28Å; E1284-L1286 PolarHBondContact O-N 3.43Å |
| 1285 | W | 63.4 | Low | 46.1 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 39% | 0.386 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | 7.9 | 177.9 | -161.5 | 71.3 | 0 | 0 | 0 | 113.9 | L1267 L1274 I1276 Y1282 A1283 | L1267-W1285 HydrophobicContact CD1-CH2 3.86Å; L1267-W1285 HydrophobicContact CD1-CZ3 4.26Å; L1274-W1285 HydrophobicContact CD1-CZ2 4.15Å; I1276-W1285 HydrophobicContact CD1-CZ2 4.21Å; Y1282-W1285 HydrophobicContact CE2-CE3 4.14Å; Y1282-W1285 HydrophobicContact CE2-CZ3 4.22Å; Y1282-W1285 WeakPolarHBondContact O-CB 3.31Å; A1283-W1285 PolarHBondContact O-N 3.18Å; A1283-W1285 VanDerWaalsContact O-N 3.15Å |
| 1286 | L | 45.4 | Very low | 44.3 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 55% | 0.55 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140 | -33.8 | -160.7 | -105 | 166.1 | 0 | 0 | 0 | 121.7 | Y1282 A1283 E1284 E1288 | Y1282-L1286 HydrophobicContact CE1-CD1 4.13Å; A1283-L1286 PolarHBondContact O-N 2.68Å; E1284-L1286 VanDerWaalsContact C-N 3.28Å; E1284-L1286 PolarHBondContact O-N 3.43Å; L1286-E1288 PolarHBondContact O-N 3.04Å |
| 1287 | Q | 57.1 | Low | 42.4 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | trans | -82.1 | 10.1 | -160 | -173.5 | 158.6 | -65.5 | 0 | 0 | 118.5 | F1289 | Q1287-F1289 PolarHBondContact O-N 3.4Š| ||
| 1288 | E | 61.6 | Low | 41.3 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | trans | -71.1 | 0 | -169.5 | -126 | 162.8 | 149.8 | 0 | 0 | 115.8 | L1286 | L1286-E1288 PolarHBondContact O-N 3.04Š| ||
| 1289 | F | 46.4 | Very low | 39.7 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 77% | 0.772 | 73% | 0.733 | S | S | * | * | 0 | 0 | 0 | -110.6 | -93.5 | 0 | 0 | 0 | 138 | Q1287 | Q1287-F1289 PolarHBondContact O-N 3.4Š| |||
| 1290 | K | 31.3 | Very low | 38.5 | Very low | 193 Ų | 193 | 145 Ų | 145 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | 0 | 0 | 0 | -111 | 150.1 | -171.4 | 171.1 | 0 | 130.7 | K1292 | K1290-K1292 PolarHBondContact O-NZ 2.85Å; K1290-K1292 VanDerWaalsContact O-NZ 3.17Å | |||
| 1291 | E | 49.8 | Very low | 36.9 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | 0 | 0 | 0 | -48.3 | 156 | 65.4 | 0 | 0 | 129.4 | |||||
| 1292 | K | 15.7 | Very low | 35.1 | Very low | 176 Ų | 176 | 147.5 Ų | 147.5 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | 0 | 0 | 0 | -58.8 | 124.2 | -171.4 | 146.6 | 0 | 130.2 | K1290 | K1290-K1292 PolarHBondContact O-NZ 2.85Å; K1290-K1292 VanDerWaalsContact O-NZ 3.17Å | |||
| 1293 | G | 6.2 | Very low | 33.6 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 129 | |||||
| 1294 | S | 12.4 | Very low | 32.4 | Very low | 134 Ų | 134 | 153.9 Ų | 153.9 | 94% | 0.937 | 78% | 0.781 | S | S | * | * | 0 | 0 | 0 | -78.1 | 0 | 0 | 0 | 0 | 128.6 | |||||
| 1295 | E | 12.9 | Very low | 30.3 | Very low | 172 Ų | 172 | 151.3 Ų | 151.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 0 | 0 | 0 | -96.2 | -73.2 | 65.9 | 0 | 0 | 136.6 | |||||
| 1296 | L | 12.9 | Very low | 28.4 | Very low | 138 Ų | 138 | 153 Ų | 153 | 72% | 0.723 | 81% | 0.808 | S | S | * | * | 0 | 0 | 0 | -66.7 | 170.6 | 0 | 0 | 0 | 138.5 | |||||
| 1297 | L | 14.4 | Very low | 27.4 | Very low | 140 Ų | 140 | 157.3 Ų | 157.3 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | 0 | 0 | 0 | -101 | 69.2 | 0 | 0 | 0 | 136.6 | |||||
| 1298 | K | 20.1 | Very low | 26 | Very low | 193 Ų | 193 | 155.6 Ų | 155.6 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | 0 | 0 | 0 | -60.4 | 152.4 | -167.4 | 163.9 | 0 | 124.5 | |||||
| 1299 | K | 26.3 | Very low | 25 | Very low | 206 Ų | 206 | 153.9 Ų | 153.9 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | 0 | 0 | 0 | -149.6 | -168.2 | 171.3 | -171.5 | 0 | 130 | |||||
| 1300 | P | 26 | Very low | 24.7 | Very low | 114 Ų | 114 | 151.9 Ų | 151.9 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | 0 | 0 | 0 | 50.9 | -29.5 | 0 | 0 | 0 | 133.9 | |||||
| 1301 | P | 25 | Very low | 25.3 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | 0 | 0 | 0 | 41.7 | -14.8 | 0 | 0 | 0 | 126.9 | |||||
| 1302 | T | 23.3 | Very low | 25.5 | Very low | 135 Ų | 135 | 152.9 Ų | 152.9 | 83% | 0.828 | 83% | 0.831 | S | S | * | * | 0 | 0 | 0 | -31.1 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1303 | L | 28 | Very low | 27 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 80% | 0.801 | 84% | 0.836 | S | S | * | * | 0 | 0 | 0 | -131 | -179.8 | 0 | 0 | 0 | 123.2 | |||||
| 1304 | E | 29.4 | Very low | 29.3 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 76% | 0.762 | 84% | 0.837 | S | S | * | * | 0 | 0 | 0 | -60 | -46.6 | 96.5 | 0 | 0 | 133.6 | |||||
| 1305 | P | 28.5 | Very low | 32.2 | Very low | 125 Ų | 125 | 161.7 Ų | 161.7 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | 0 | 0 | 0 | 47 | -30.4 | 0 | 0 | 0 | 131.8 | |||||
| 1306 | S | 24.1 | Very low | 34.3 | Very low | 138 Ų | 138 | 157.2 Ų | 157.2 | 97% | 0.965 | 83% | 0.825 | S | S | * | * | 0 | 0 | 0 | 69.4 | 0 | 0 | 0 | 0 | 130.9 | |||||
| 1307 | M | 23.3 | Very low | 37 | Very low | 196 Ų | 196 | 158.1 Ų | 158.1 | 97% | 0.966 | 83% | 0.826 | S | S | * | * | 0 | 0 | 0 | 154.3 | -173.5 | 156.9 | 0 | 0 | 129.8 | |||||
| 1308 | D | 28.1 | Very low | 40.1 | Very low | 151 Ų | 151 | 159.8 Ų | 159.8 | 81% | 0.807 | 83% | 0.83 | S | S | * | * | 0 | 113.4 | 0 | 173.3 | 32.5 | 0 | 0 | 0 | 123.9 | |||||
| 1309 | I | 40.4 | Very low | 42.9 | Very low | 160 Ų | 160 | 155.8 Ų | 155.8 | 82% | 0.821 | 82% | 0.822 | S | S | * | * | trans | -163.8 | 115.6 | 165 | -49.2 | 177.6 | 0 | 0 | 0 | 117.1 | ||||
| 1310 | V | 41.1 | Very low | 45.6 | Very low | 134 Ų | 134 | 153 Ų | 153 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -150.8 | -42.5 | 163.1 | -176.3 | 0 | 0 | 0 | 0 | 117.9 | K1312 | V1310-K1312 PolarHBondContact O-N 2.97Å; V1310-K1312 VanDerWaalsContact O-N 3.09Å | ||
| 1311 | L | 42.7 | Very low | 48.5 | Very low | 172 Ų | 172 | 153.7 Ų | 153.7 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | G | 310 helix | trans | -70.6 | -9.3 | -150.5 | -77.3 | 166.7 | 0 | 0 | 0 | 119.7 | L1313 | L1311-L1313 PolarHBondContact O-N 3.05Š|
| 1312 | K | 54.8 | Low | 51 | Low | 205 Ų | 205 | 151.6 Ų | 151.6 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -83.1 | 2.5 | -163 | -77.7 | -170.5 | 173.7 | -178 | 0 | 117.9 | V1310 | V1310-K1312 PolarHBondContact O-N 2.97Å; V1310-K1312 VanDerWaalsContact O-N 3.09Å |
| 1313 | L | 46.5 | Very low | 53.8 | Low | 167 Ų | 167 | 150.9 Ų | 150.9 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -92 | -11.2 | -164.4 | -157.9 | 63.8 | 0 | 0 | 0 | 116.2 | L1311 | L1311-L1313 PolarHBondContact O-N 3.05Š|
| 1314 | R | 55.1 | Low | 56.6 | Low | 227 Ų | 227 | 149.1 Ų | 149.1 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -90.6 | -26.2 | -165.3 | -170.8 | 172.9 | -70.3 | 157.6 | 0.1 | 116.4 | A1316 | R1314-A1316 VanDerWaalsContact C-N 3.31Å; R1314-A1316 PolarHBondContact O-N 2.92Å |
| 1315 | E | 72.3 | Confident | 59.3 | Low | 180 Ų | 180 | 144.6 Ų | 144.6 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -11.9 | -168.5 | -67.4 | 176.7 | 119.4 | 0 | 0 | 115 | ||
| 1316 | A | 58.4 | Low | 62.1 | Low | 78 Ų | 78 | 143.3 Ų | 143.3 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -13.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1314 T1319 | R1314-A1316 VanDerWaalsContact C-N 3.31Å; R1314-A1316 PolarHBondContact O-N 2.92Å; A1316-T1319 PolarHBondContact O-OG1 3.37Å |
| 1317 | E | 69.6 | Low | 65.2 | Low | 158 Ų | 158 | 139 Ų | 139 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -92.5 | -31.8 | -162.7 | -152.9 | 166.2 | -153.7 | 0 | 0 | 113.6 | T1319 | E1317-T1319 PolarHBondContact O-N 2.64Š|
| 1318 | E | 78 | Confident | 68.5 | Low | 175 Ų | 175 | 133.6 Ų | 133.6 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -32.9 | -174.9 | -62.3 | -171.5 | 154.3 | 0 | 0 | 113.2 | Q1320 | E1318-Q1320 PolarHBondContact O-N 2.73Š|
| 1319 | T | 80.1 | Confident | 71.5 | Confident | 109 Ų | 109 | 133 Ų | 133 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64.2 | -22.4 | -176.4 | 45.3 | 0 | 0 | 0 | 0 | 114.2 | A1316 E1317 | A1316-T1319 PolarHBondContact O-OG1 3.37Å; E1317-T1319 PolarHBondContact O-N 2.64Å |
| 1320 | Q | 83.2 | Confident | 73.9 | Confident | 148 Ų | 148 | 132.7 Ų | 132.7 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -72 | -32.7 | -173.4 | -172.8 | 172.4 | -7.9 | 0 | 0 | 113.2 | E1318 | E1318-Q1320 PolarHBondContact O-N 2.73Å |
| 1321 | N | 85.9 | Confident | 76.4 | Confident | 127 Ų | 127 | 132.6 Ų | 132.6 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.5 | -33.2 | -170.1 | -74.1 | -59.2 | 0 | 0 | 0 | 114 | L1323 | N1321-L1323 PolarHBondContact O-N 3.29Å |
| 1322 | S | 78.2 | Confident | 78.8 | Confident | 83 Ų | 83 | 128.4 Ų | 128.4 | 58% | 0.58 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.2 | -38.7 | -177.2 | -163.3 | 0 | 0 | 0 | 0 | 112.4 | Q1324 A1325 | S1322-Q1324 VanDerWaalsContact C-N 3.26Å; S1322-Q1324 PolarHBondContact O-N 3.14Å; S1322-A1325 PolarHBondContact O-N 2.89Å |
| 1323 | L | 81.3 | Confident | 80.7 | Confident | 119 Ų | 119 | 123 Ų | 123 | 62% | 0.623 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.8 | -30.4 | -176.2 | -174 | 64.6 | 0 | 0 | 0 | 113 | N1321 C1327 | N1321-L1323 PolarHBondContact O-N 3.29Å; L1323-C1327 PolarHBondContact O-SG 2.92Å |
| 1324 | Q | 87.7 | Confident | 82.9 | Confident | 117 Ų | 117 | 121 Ų | 121 | 55% | 0.547 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.2 | -36.9 | -177.9 | -177 | 60.3 | 42.6 | 0 | 0 | 112.4 | S1322 | S1322-Q1324 VanDerWaalsContact C-N 3.26Å; S1322-Q1324 PolarHBondContact O-N 3.14Å |
| 1325 | A | 85.9 | Confident | 84.6 | Confident | 68 Ų | 68 | 113 Ų | 113 | 56% | 0.562 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.4 | -39.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | S1322 C1327 D1328 | S1322-A1325 PolarHBondContact O-N 2.89Å; A1325-C1327 VanDerWaalsContact C-N 3.28Å; A1325-C1327 PolarHBondContact O-N 2.87Å; A1325-D1328 PolarHBondContact O-N 3.48Å |
| 1326 | E | 87.4 | Confident | 85.6 | Confident | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.453 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.7 | -38.3 | 177.9 | -61.9 | -176 | -176.4 | 0 | 0 | 111.5 | D1328 Q1329 Y1330 | E1326-D1328 VanDerWaalsContact C-N 3.27Å; E1326-D1328 PolarHBondContact O-N 2.89Å; E1326-Q1329 PolarHBondContact O-N 3.48Å; E1326-Q1329 VanDerWaalsContact O-N 3.09Å; E1326-Y1330 HydrophobicContact CB-CE2 4.25Å; E1326-Y1330 WeakPolarHBondContact O-CD2 3.38Å; E1326-Y1330 PolarHBondContact O-N 3.1Å |
| 1327 | C | 88.6 | Confident | 87.2 | Confident | 48 Ų | 48 | 110.5 Ų | 110.5 | 32% | 0.324 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.2 | -33.1 | -178.9 | -68.5 | 0 | 0 | 0 | 0 | 113.7 | L1323 A1325 R1331 | L1323-C1327 PolarHBondContact O-SG 2.92Å; A1325-C1327 VanDerWaalsContact C-N 3.28Å; A1325-C1327 PolarHBondContact O-N 2.87Å; C1327-R1331 VanDerWaalsContact O-CZ 3.23Å; C1327-R1331 PolarHBondContact O-NE 3.27Å; C1327-R1331 PolarHBondContact O-NH1 3.39Å |
| 1328 | D | 92.3 | Very high | 88.3 | Confident | 82 Ų | 82 | 108 Ų | 108 | 44% | 0.439 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -77.2 | -33.4 | 176.4 | -77.2 | -48.1 | 0 | 0 | 0 | 112.6 | A1325 E1326 Y1330 R1331 T1332 | A1325-D1328 PolarHBondContact O-N 3.48Å; E1326-D1328 VanDerWaalsContact C-N 3.27Å; E1326-D1328 PolarHBondContact O-N 2.89Å; D1328-Y1330 PolarHBondContact O-N 2.81Å; D1328-R1331 VanDerWaalsContact CG-NH2 3.27Å; D1328-R1331 WeakPolarHBondContact O-CB 3.5Å; D1328-R1331 PolarHBondContact O-N 3.48Å; D1328-R1331 IonicContact OD1-CZ 2.86Å; D1328-R1331 IonicContact OD1-NE 2.74Å; D1328-R1331 PolarHBondContact OD1-NE 2.97Å; D1328-R1331 IonicContact OD1-NH2 2.66Å; D1328-R1331 PolarHBondContact OD1-NH2 3.23Å; D1328-R1331 IonicContact OD2-NH2 2.8Å; D1328-T1332 PolarHBondContact O-N 2.85Å |
| 1329 | Q | 92.2 | Very high | 89 | Confident | 140 Ų | 140 | 101.2 Ų | 101.2 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -39.6 | 177.9 | -161.9 | 171.6 | 32.7 | 0 | 0 | 111.8 | E1326 R1331 T1332 I1333 | E1326-Q1329 PolarHBondContact O-N 3.48Å; E1326-Q1329 VanDerWaalsContact O-N 3.09Å; Q1329-R1331 VanDerWaalsContact C-N 3.33Å; Q1329-R1331 PolarHBondContact O-N 3.37Å; Q1329-T1332 PolarHBondContact O-N 3.44Å; Q1329-I1333 PolarHBondContact O-N 3.22Å |
| 1330 | Y | 91.1 | Very high | 89.7 | Confident | 152 Ų | 152 | 102.2 Ų | 102.2 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -36.5 | 173.1 | -71.3 | -66 | 0 | 0 | 0 | 113 | E1326 D1328 T1332 I1333 L1334 | E1326-Y1330 HydrophobicContact CB-CE2 4.25Å; E1326-Y1330 WeakPolarHBondContact O-CD2 3.38Å; E1326-Y1330 PolarHBondContact O-N 3.1Å; D1328-Y1330 PolarHBondContact O-N 2.81Å; Y1330-T1332 PolarHBondContact O-N 2.99Å; Y1330-I1333 PolarHBondContact O-N 3.49Å; Y1330-L1334 WeakPolarHBondContact O-CG 3.48Å; Y1330-L1334 PolarHBondContact O-N 3.06Å |
| 1331 | R | 94.1 | Very high | 90.3 | Very high | 133 Ų | 133 | 100.6 Ų | 100.6 | 50% | 0.502 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 179 | -77.6 | -176.9 | -89.7 | -86.9 | 8.5 | 112.3 | C1327 D1328 Q1329 A1335 | C1327-R1331 VanDerWaalsContact O-CZ 3.23Å; C1327-R1331 PolarHBondContact O-NE 3.27Å; C1327-R1331 PolarHBondContact O-NH1 3.39Å; D1328-R1331 VanDerWaalsContact CG-NH2 3.27Å; D1328-R1331 WeakPolarHBondContact O-CB 3.5Å; D1328-R1331 PolarHBondContact O-N 3.48Å; D1328-R1331 IonicContact OD1-CZ 2.86Å; D1328-R1331 IonicContact OD1-NE 2.74Å; D1328-R1331 PolarHBondContact OD1-NE 2.97Å; D1328-R1331 IonicContact OD1-NH2 2.66Å; D1328-R1331 PolarHBondContact OD1-NH2 3.23Å; D1328-R1331 IonicContact OD2-NH2 2.8Å; Q1329-R1331 VanDerWaalsContact C-N 3.33Å; Q1329-R1331 PolarHBondContact O-N 3.37Å; R1331-A1335 PolarHBondContact O-N 3.11Å |
| 1332 | T | 92.5 | Very high | 90.7 | Very high | 83 Ų | 83 | 100.3 Ų | 100.3 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 178.6 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | D1328 Q1329 Y1330 L1334 A1335 E1336 | D1328-T1332 PolarHBondContact O-N 2.85Å; Q1329-T1332 PolarHBondContact O-N 3.44Å; Y1330-T1332 PolarHBondContact O-N 2.99Å; T1332-L1334 VanDerWaalsContact C-N 3.3Å; T1332-L1334 PolarHBondContact O-N 2.78Å; T1332-A1335 PolarHBondContact O-N 3.01Å; T1332-E1336 PolarHBondContact O-N 2.88Å |
| 1333 | I | 94.7 | Very high | 91.5 | Very high | 93 Ų | 93 | 102 Ų | 102 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | -176.2 | -64.5 | 168 | 0 | 0 | 0 | 111.4 | Q1329 Y1330 T1337 | Q1329-I1333 PolarHBondContact O-N 3.22Å; Y1330-I1333 PolarHBondContact O-N 3.49Å; I1333-T1337 WeakPolarHBondContact O-CB 3.45Å; I1333-T1337 PolarHBondContact O-N 2.99Å; I1333-T1337 PolarHBondContact O-OG1 3.4Å |
| 1334 | L | 92.2 | Very high | 92.1 | Very high | 124 Ų | 124 | 101.4 Ų | 101.4 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 177.6 | -69.9 | 170.4 | 0 | 0 | 0 | 112.1 | Y1330 T1332 T1337 E1338 | Y1330-L1334 WeakPolarHBondContact O-CG 3.48Å; Y1330-L1334 PolarHBondContact O-N 3.06Å; T1332-L1334 VanDerWaalsContact C-N 3.3Å; T1332-L1334 PolarHBondContact O-N 2.78Å; L1334-T1337 PolarHBondContact O-N 3.46Å; L1334-E1338 PolarHBondContact O-N 2.88Å |
| 1335 | A | 91.8 | Very high | 92.5 | Very high | 60 Ų | 60 | 101.4 Ų | 101.4 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1331 T1332 T1337 G1339 | R1331-A1335 PolarHBondContact O-N 3.11Å; T1332-A1335 PolarHBondContact O-N 3.01Å; A1335-T1337 VanDerWaalsContact C-N 3.35Å; A1335-G1339 PolarHBondContact O-N 2.9Å; A1335-G1339 VanDerWaalsContact O-N 3.16Å |
| 1336 | E | 92.4 | Very high | 92.9 | Very high | 130 Ų | 130 | 101.9 Ų | 101.9 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.1 | -38.7 | 174.2 | -66.4 | -171.8 | 155.9 | 0 | 0 | 111.6 | T1332 G1339 M1340 | T1332-E1336 PolarHBondContact O-N 2.88Å; E1336-G1339 PolarHBondContact O-N 3.25Å; E1336-M1340 PolarHBondContact O-N 3.48Å; E1336-M1340 VanDerWaalsContact O-N 3.13Å |
| 1337 | T | 92.3 | Very high | 93.2 | Very high | 74 Ų | 74 | 100.4 Ų | 100.4 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 177.5 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | I1333 L1334 A1335 G1339 M1340 L1341 | I1333-T1337 WeakPolarHBondContact O-CB 3.45Å; I1333-T1337 PolarHBondContact O-N 2.99Å; I1333-T1337 PolarHBondContact O-OG1 3.4Å; L1334-T1337 PolarHBondContact O-N 3.46Å; A1335-T1337 VanDerWaalsContact C-N 3.35Å; T1337-G1339 VanDerWaalsContact C-N 3.33Å; T1337-G1339 PolarHBondContact O-N 2.91Å; T1337-M1340 PolarHBondContact O-N 3.27Å; T1337-L1341 PolarHBondContact O-N 2.93Å; T1337-L1341 VanDerWaalsContact O-N 3.1Å |
| 1338 | E | 93.2 | Very high | 93.5 | Very high | 105 Ų | 105 | 102.2 Ų | 102.2 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 175.2 | -164.9 | -162.2 | 156 | 0 | 0 | 112 | L1334 L1341 K1342 | L1334-E1338 PolarHBondContact O-N 2.88Å; E1338-L1341 PolarHBondContact O-N 3.4Å; E1338-K1342 PolarHBondContact O-N 3.33Å; E1338-K1342 VanDerWaalsContact OE1-CE 3.31Å; E1338-K1342 WeakPolarHBondContact OE1-CE 3.42Å; E1338-K1342 IonicContact OE1-NZ 2.75Å; E1338-K1342 PolarHBondContact OE1-NZ 2.98Å |
| 1339 | G | 92.5 | Very high | 93.6 | Very high | 34 Ų | 34 | 103.2 Ų | 103.2 | 35% | 0.351 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.7 | -50.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1335 E1336 T1337 L1341 K1342 D1343 | A1335-G1339 PolarHBondContact O-N 2.9Å; A1335-G1339 VanDerWaalsContact O-N 3.16Å; E1336-G1339 PolarHBondContact O-N 3.25Å; T1337-G1339 VanDerWaalsContact C-N 3.33Å; T1337-G1339 PolarHBondContact O-N 2.91Å; G1339-L1341 VanDerWaalsContact C-N 3.29Å; G1339-L1341 PolarHBondContact O-N 2.88Å; G1339-K1342 PolarHBondContact O-N 3.46Å; G1339-D1343 PolarHBondContact O-N 3.39Å |
| 1340 | M | 95.1 | Very high | 93.7 | Very high | 129 Ų | 129 | 101.2 Ų | 101.2 | 64% | 0.635 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.6 | -37.2 | 177.5 | -69.8 | -173.2 | -71.1 | 0 | 0 | 112.6 | E1336 T1337 L1344 | E1336-M1340 PolarHBondContact O-N 3.48Å; E1336-M1340 VanDerWaalsContact O-N 3.13Å; T1337-M1340 PolarHBondContact O-N 3.27Å; M1340-L1344 WeakPolarHBondContact O-CB 3.13Å; M1340-L1344 PolarHBondContact O-N 3.43Å |
| 1341 | L | 94.4 | Very high | 93.7 | Very high | 115 Ų | 115 | 99.1 Ų | 99.1 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66 | -38.9 | 179 | -167.7 | 65.1 | 0 | 0 | 0 | 112.3 | T1337 E1338 G1339 L1344 Q1345 | T1337-L1341 PolarHBondContact O-N 2.93Å; T1337-L1341 VanDerWaalsContact O-N 3.1Å; E1338-L1341 PolarHBondContact O-N 3.4Å; G1339-L1341 VanDerWaalsContact C-N 3.29Å; G1339-L1341 PolarHBondContact O-N 2.88Å; L1341-L1344 PolarHBondContact O-N 3.17Å; L1341-Q1345 PolarHBondContact O-N 3.3Å |
| 1342 | K | 94.9 | Very high | 93.7 | Very high | 120 Ų | 120 | 97.2 Ų | 97.2 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 177.6 | -77 | 169.3 | 169.3 | 171.4 | 0 | 112.9 | E1338 G1339 K1346 | E1338-K1342 PolarHBondContact O-N 3.33Å; E1338-K1342 VanDerWaalsContact OE1-CE 3.31Å; E1338-K1342 WeakPolarHBondContact OE1-CE 3.42Å; E1338-K1342 IonicContact OE1-NZ 2.75Å; E1338-K1342 PolarHBondContact OE1-NZ 2.98Å; G1339-K1342 PolarHBondContact O-N 3.46Å; K1342-K1346 PolarHBondContact O-N 3.47Å; K1342-K1346 VanDerWaalsContact O-N 3.13Å |
| 1343 | D | 95.6 | Very high | 93.8 | Very high | 120 Ų | 120 | 102 Ų | 102 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.4 | -35.9 | 175.3 | -80.4 | -26.8 | 0 | 0 | 0 | 111.8 | G1339 K1346 S1347 | G1339-D1343 PolarHBondContact O-N 3.39Å; D1343-K1346 PolarHBondContact O-N 2.89Å; D1343-S1347 PolarHBondContact O-N 2.9Å |
| 1344 | L | 94.3 | Very high | 93.9 | Very high | 106 Ų | 106 | 100.6 Ų | 100.6 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -48.5 | 173.3 | -179.6 | 62.1 | 0 | 0 | 0 | 112 | M1340 L1341 K1346 S1347 V1348 | M1340-L1344 WeakPolarHBondContact O-CB 3.13Å; M1340-L1344 PolarHBondContact O-N 3.43Å; L1341-L1344 PolarHBondContact O-N 3.17Å; L1344-K1346 VanDerWaalsContact C-N 3.32Å; L1344-K1346 PolarHBondContact O-N 2.9Å; L1344-S1347 WeakPolarHBondContact O-CB 3.47Å; L1344-S1347 PolarHBondContact O-N 3.4Å; L1344-S1347 VanDerWaalsContact O-N 3.12Å; L1344-V1348 PolarHBondContact O-N 3.03Å; L1344-V1348 VanDerWaalsContact O-N 3.09Å |
| 1345 | Q | 94.5 | Very high | 93.9 | Very high | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -54.5 | -49.5 | 176.2 | 178.5 | -175.3 | -20.7 | 0 | 0 | 111 | L1341 S1347 V1348 E1349 | L1341-Q1345 PolarHBondContact O-N 3.3Å; Q1345-S1347 VanDerWaalsContact C-N 3.27Å; Q1345-S1347 PolarHBondContact O-N 2.96Å; Q1345-V1348 PolarHBondContact O-N 3.5Å; Q1345-E1349 WeakPolarHBondContact CG-OE1 3.26Å; Q1345-E1349 PolarHBondContact NE2-OE1 3.35Å; Q1345-E1349 PolarHBondContact O-N 2.95Å |
| 1346 | K | 95.1 | Very high | 94.1 | Very high | 78 Ų | 78 | 104.8 Ų | 104.8 | 34% | 0.339 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.4 | -37.5 | 178.8 | -175.2 | -171.4 | 164.1 | -68.7 | 0 | 112.3 | K1342 D1343 L1344 V1348 E1350 | K1342-K1346 PolarHBondContact O-N 3.47Å; K1342-K1346 VanDerWaalsContact O-N 3.13Å; D1343-K1346 PolarHBondContact O-N 2.89Å; L1344-K1346 VanDerWaalsContact C-N 3.32Å; L1344-K1346 PolarHBondContact O-N 2.9Å; K1346-V1348 VanDerWaalsContact C-N 3.34Å; K1346-E1350 WeakPolarHBondContact CE-OE1 3.39Å; K1346-E1350 IonicContact NZ-OE1 2.74Å; K1346-E1350 PolarHBondContact NZ-OE1 3.35Å; K1346-E1350 IonicContact NZ-OE2 2.76Å; K1346-E1350 PolarHBondContact NZ-OE2 2.92Å; K1346-E1350 WeakPolarHBondContact O-CG 3.43Å; K1346-E1350 PolarHBondContact O-N 2.86Å; K1346-E1350 VanDerWaalsContact O-N 3.1Å |
| 1347 | S | 93.4 | Very high | 94.2 | Very high | 67 Ų | 67 | 101.8 Ų | 101.8 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 175.6 | -168.7 | 0 | 0 | 0 | 0 | 112.3 | D1343 L1344 Q1345 E1351 | D1343-S1347 PolarHBondContact O-N 2.9Å; L1344-S1347 WeakPolarHBondContact O-CB 3.47Å; L1344-S1347 PolarHBondContact O-N 3.4Å; L1344-S1347 VanDerWaalsContact O-N 3.12Å; Q1345-S1347 VanDerWaalsContact C-N 3.27Å; Q1345-S1347 PolarHBondContact O-N 2.96Å; S1347-E1351 PolarHBondContact O-N 3.36Å; S1347-E1351 VanDerWaalsContact O-N 3.09Å |
| 1348 | V | 94.3 | Very high | 94.3 | Very high | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.1 | -44 | 177.4 | 174.9 | 0 | 0 | 0 | 0 | 111 | L1344 Q1345 K1346 E1350 E1351 E1352 | L1344-V1348 PolarHBondContact O-N 3.03Å; L1344-V1348 VanDerWaalsContact O-N 3.09Å; Q1345-V1348 PolarHBondContact O-N 3.5Å; K1346-V1348 VanDerWaalsContact C-N 3.34Å; V1348-E1350 VanDerWaalsContact C-N 3.33Å; V1348-E1350 PolarHBondContact O-N 3.33Å; V1348-E1351 PolarHBondContact O-N 2.88Å; V1348-E1352 WeakPolarHBondContact O-CB 3.47Å; V1348-E1352 PolarHBondContact O-N 2.9Å |
| 1349 | E | 94.6 | Very high | 94.4 | Very high | 103 Ų | 103 | 101.6 Ų | 101.6 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 176.2 | -69.5 | 172.3 | -173.7 | 0 | 0 | 112.3 | Q1345 R1353 | Q1345-E1349 WeakPolarHBondContact CG-OE1 3.26Å; Q1345-E1349 PolarHBondContact NE2-OE1 3.35Å; Q1345-E1349 PolarHBondContact O-N 2.95Å; E1349-R1353 PolarHBondContact O-N 2.6Å; E1349-R1353 VanDerWaalsContact O-N 3.13Å |
| 1350 | E | 94 | Very high | 94.5 | Very high | 98 Ų | 98 | 101.4 Ų | 101.4 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 175.9 | -77.3 | 177 | 166.9 | 0 | 0 | 112.5 | K1346 V1348 V1354 | K1346-E1350 WeakPolarHBondContact CE-OE1 3.39Å; K1346-E1350 IonicContact NZ-OE1 2.74Å; K1346-E1350 PolarHBondContact NZ-OE1 3.35Å; K1346-E1350 IonicContact NZ-OE2 2.76Å; K1346-E1350 PolarHBondContact NZ-OE2 2.92Å; K1346-E1350 WeakPolarHBondContact O-CG 3.43Å; K1346-E1350 PolarHBondContact O-N 2.86Å; K1346-E1350 VanDerWaalsContact O-N 3.1Å; V1348-E1350 VanDerWaalsContact C-N 3.33Å; V1348-E1350 PolarHBondContact O-N 3.33Å; E1350-V1354 WeakPolarHBondContact O-CG2 3.43Å; E1350-V1354 PolarHBondContact O-N 3.04Å |
| 1351 | E | 92.9 | Very high | 94.4 | Very high | 108 Ų | 108 | 98 Ų | 98 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.4 | -40.2 | 175.5 | -152.5 | -170.4 | 145.8 | 0 | 0 | 112.3 | S1347 V1348 R1353 V1354 W1355 | S1347-E1351 PolarHBondContact O-N 3.36Å; S1347-E1351 VanDerWaalsContact O-N 3.09Å; V1348-E1351 PolarHBondContact O-N 2.88Å; E1351-R1353 VanDerWaalsContact C-N 3.28Å; E1351-R1353 PolarHBondContact O-N 2.99Å; E1351-V1354 CarbonylContact O-C 3.35Å; E1351-V1354 WeakPolarHBondContact O-CA 3.49Å; E1351-V1354 WeakPolarHBondContact O-CB 3.24Å; E1351-V1354 PolarHBondContact O-N 3.03Å; E1351-W1355 PolarHBondContact O-N 2.87Å; E1351-W1355 PolarHBondContact OE1-NE1 2.79Å |
| 1352 | E | 93.1 | Very high | 94.3 | Very high | 93 Ų | 93 | 95.4 Ų | 95.4 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -40.8 | 175.8 | -162.9 | -152.8 | 127.3 | 0 | 0 | 111.1 | V1348 V1354 W1355 K1356 | V1348-E1352 WeakPolarHBondContact O-CB 3.47Å; V1348-E1352 PolarHBondContact O-N 2.9Å; E1352-V1354 VanDerWaalsContact C-N 3.31Å; E1352-V1354 PolarHBondContact O-N 3.03Å; E1352-W1355 PolarHBondContact O-N 2.88Å; E1352-K1356 PolarHBondContact O-N 2.86Å; E1352-K1356 WeakPolarHBondContact OE1-CE 3.17Å; E1352-K1356 IonicContact OE1-NZ 2.59Å; E1352-K1356 PolarHBondContact OE1-NZ 3.3Å |
| 1353 | R | 94.5 | Very high | 94.1 | Very high | 184 Ų | 184 | 95.5 Ų | 95.5 | 69% | 0.694 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.4 | -37.8 | 173.3 | -166.1 | -174.1 | 70.7 | 123.3 | 2.7 | 112.3 | E1349 E1351 A1357 | E1349-R1353 PolarHBondContact O-N 2.6Å; E1349-R1353 VanDerWaalsContact O-N 3.13Å; E1351-R1353 VanDerWaalsContact C-N 3.28Å; E1351-R1353 PolarHBondContact O-N 2.99Å; R1353-A1357 WeakPolarHBondContact O-CB 3.43Å; R1353-A1357 PolarHBondContact O-N 2.89Å; R1353-A1357 VanDerWaalsContact O-N 3.12Å |
| 1354 | V | 96.2 | Very high | 94 | Very high | 63 Ų | 63 | 95.7 Ų | 95.7 | 38% | 0.382 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | 174.7 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | E1350 E1351 E1352 A1357 K1358 | E1350-V1354 WeakPolarHBondContact O-CG2 3.43Å; E1350-V1354 PolarHBondContact O-N 3.04Å; E1351-V1354 CarbonylContact O-C 3.35Å; E1351-V1354 WeakPolarHBondContact O-CA 3.49Å; E1351-V1354 WeakPolarHBondContact O-CB 3.24Å; E1351-V1354 PolarHBondContact O-N 3.03Å; E1352-V1354 VanDerWaalsContact C-N 3.31Å; E1352-V1354 PolarHBondContact O-N 3.03Å; V1354-A1357 PolarHBondContact O-N 3.47Å; V1354-K1358 HydrophobicContact CG1-CD 4.26Å; V1354-K1358 VanDerWaalsContact O-CG 3.31Å; V1354-K1358 WeakPolarHBondContact O-CG 3.39Å; V1354-K1358 PolarHBondContact O-N 3.37Å |
| 1355 | W | 93.9 | Very high | 93.9 | Very high | 134 Ų | 134 | 95.6 Ų | 95.6 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.3 | -43.4 | 175.2 | -74.2 | 111.9 | 0 | 0 | 0 | 112.5 | E1351 E1352 A1357 K1358 V1359 | E1351-W1355 PolarHBondContact O-N 2.87Å; E1351-W1355 PolarHBondContact OE1-NE1 2.79Å; E1352-W1355 PolarHBondContact O-N 2.88Å; W1355-A1357 VanDerWaalsContact C-N 3.33Å; W1355-A1357 PolarHBondContact O-N 3.33Å; W1355-K1358 HydrophobicContact CD2-CD 4.19Å; W1355-K1358 HydrophobicContact CE3-CD 3.58Å; W1355-K1358 HydrophobicContact CH2-CD 4.5Å; W1355-K1358 HydrophobicContact CZ3-CD 3.77Å; W1355-K1358 WeakPolarHBondContact O-CB 3.46Å; W1355-K1358 PolarHBondContact O-N 3.09Å; W1355-K1358 VanDerWaalsContact O-N 3.14Å; W1355-V1359 WeakPolarHBondContact O-CG2 3.42Å; W1355-V1359 PolarHBondContact O-N 2.71Å |
| 1356 | K | 94.6 | Very high | 93.8 | Very high | 138 Ų | 138 | 94.5 Ų | 94.5 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -55.9 | -44.6 | 171.8 | -83.8 | 171.9 | 167.4 | 164.2 | 0 | 112.3 | E1352 K1358 V1359 G1360 | E1352-K1356 PolarHBondContact O-N 2.86Å; E1352-K1356 WeakPolarHBondContact OE1-CE 3.17Å; E1352-K1356 IonicContact OE1-NZ 2.59Å; E1352-K1356 PolarHBondContact OE1-NZ 3.3Å; K1356-K1358 PolarHBondContact O-N 3.48Å; K1356-V1359 PolarHBondContact O-N 3.49Å; K1356-G1360 PolarHBondContact O-N 3.42Å |
| 1357 | A | 94.9 | Very high | 93.8 | Very high | 68 Ų | 68 | 96.8 Ų | 96.8 | 56% | 0.562 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1353 V1354 W1355 A1361 | R1353-A1357 WeakPolarHBondContact O-CB 3.43Å; R1353-A1357 PolarHBondContact O-N 2.89Å; R1353-A1357 VanDerWaalsContact O-N 3.12Å; V1354-A1357 PolarHBondContact O-N 3.47Å; W1355-A1357 VanDerWaalsContact C-N 3.33Å; W1355-A1357 PolarHBondContact O-N 3.33Å; A1357-A1361 WeakPolarHBondContact O-CB 3.49Å; A1357-A1361 PolarHBondContact O-N 3.36Å |
| 1358 | K | 94.4 | Very high | 93.8 | Very high | 100 Ų | 100 | 98.3 Ų | 98.3 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 174.4 | -71.5 | 165.1 | -179.7 | 168.2 | 0 | 112.6 | V1354 W1355 K1356 A1362 | V1354-K1358 HydrophobicContact CG1-CD 4.26Å; V1354-K1358 VanDerWaalsContact O-CG 3.31Å; V1354-K1358 WeakPolarHBondContact O-CG 3.39Å; V1354-K1358 PolarHBondContact O-N 3.37Å; W1355-K1358 HydrophobicContact CD2-CD 4.19Å; W1355-K1358 HydrophobicContact CE3-CD 3.58Å; W1355-K1358 HydrophobicContact CH2-CD 4.5Å; W1355-K1358 HydrophobicContact CZ3-CD 3.77Å; W1355-K1358 WeakPolarHBondContact O-CB 3.46Å; W1355-K1358 PolarHBondContact O-N 3.09Å; W1355-K1358 VanDerWaalsContact O-N 3.14Å; K1356-K1358 PolarHBondContact O-N 3.48Å; K1358-A1362 WeakPolarHBondContact O-CB 3.2Å; K1358-A1362 PolarHBondContact O-N 2.87Å |
| 1359 | V | 95.2 | Very high | 93.6 | Very high | 75 Ų | 75 | 96.8 Ų | 96.8 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -51.4 | 178.1 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | W1355 K1356 A1361 A1362 E1363 | W1355-V1359 WeakPolarHBondContact O-CG2 3.42Å; W1355-V1359 PolarHBondContact O-N 2.71Å; K1356-V1359 PolarHBondContact O-N 3.49Å; V1359-A1361 VanDerWaalsContact C-N 3.31Å; V1359-A1361 PolarHBondContact O-N 3.42Å; V1359-A1362 CarbonylContact O-C 3.5Å; V1359-A1362 WeakPolarHBondContact O-CA 3.36Å; V1359-A1362 WeakPolarHBondContact O-CB 3.27Å; V1359-A1362 PolarHBondContact O-N 3.19Å; V1359-E1363 HydrophobicContact CG1-CG 4.31Å; V1359-E1363 WeakPolarHBondContact O-CG 3.38Å; V1359-E1363 PolarHBondContact O-N 2.91Å |
| 1360 | G | 94.9 | Very high | 93.6 | Very high | 29 Ų | 29 | 99.7 Ų | 99.7 | 30% | 0.299 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1356 A1362 E1363 E1364 | K1356-G1360 PolarHBondContact O-N 3.42Å; G1360-A1362 VanDerWaalsContact C-N 3.33Å; G1360-A1362 PolarHBondContact O-N 3.12Å; G1360-E1363 PolarHBondContact O-N 3.36Å; G1360-E1364 PolarHBondContact O-N 3.48Å |
| 1361 | A | 93.5 | Very high | 93.6 | Very high | 58 Ų | 58 | 98.9 Ų | 98.9 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1357 V1359 E1365 | A1357-A1361 WeakPolarHBondContact O-CB 3.49Å; A1357-A1361 PolarHBondContact O-N 3.36Å; V1359-A1361 VanDerWaalsContact C-N 3.31Å; V1359-A1361 PolarHBondContact O-N 3.42Å; A1361-E1365 PolarHBondContact O-N 3.44Å |
| 1362 | A | 90.7 | Very high | 93.6 | Very high | 61 Ų | 61 | 97.7 Ų | 97.7 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.9 | -34.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1358 V1359 G1360 E1365 L1366 | K1358-A1362 WeakPolarHBondContact O-CB 3.2Å; K1358-A1362 PolarHBondContact O-N 2.87Å; V1359-A1362 CarbonylContact O-C 3.5Å; V1359-A1362 WeakPolarHBondContact O-CA 3.36Å; V1359-A1362 WeakPolarHBondContact O-CB 3.27Å; V1359-A1362 PolarHBondContact O-N 3.19Å; G1360-A1362 VanDerWaalsContact C-N 3.33Å; G1360-A1362 PolarHBondContact O-N 3.12Å; A1362-E1365 PolarHBondContact O-N 3.03Å; A1362-L1366 VanDerWaalsContact O-CB 3.31Å; A1362-L1366 WeakPolarHBondContact O-CB 3.48Å; A1362-L1366 PolarHBondContact O-N 3.16Å |
| 1363 | E | 92.1 | Very high | 93.5 | Very high | 122 Ų | 122 | 96.7 Ų | 96.7 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.6 | -39.6 | 174.8 | -71 | 175.1 | 155.4 | 0 | 0 | 112 | V1359 G1360 L1366 H1367 | V1359-E1363 HydrophobicContact CG1-CG 4.31Å; V1359-E1363 WeakPolarHBondContact O-CG 3.38Å; V1359-E1363 PolarHBondContact O-N 2.91Å; G1360-E1363 PolarHBondContact O-N 3.36Å; E1363-L1366 PolarHBondContact O-N 3.24Å; E1363-H1367 WeakPolarHBondContact O-CB 3.49Å; E1363-H1367 PolarHBondContact O-N 2.89Å |
| 1364 | E | 93.2 | Very high | 93.5 | Very high | 123 Ų | 123 | 94.3 Ų | 94.3 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 170.7 | -77.8 | -171.6 | -174.2 | 0 | 0 | 112.2 | G1360 H1367 K1368 | G1360-E1364 PolarHBondContact O-N 3.48Å; E1364-H1367 WeakPolarHBondContact O-CB 3.32Å; E1364-H1367 PolarHBondContact O-N 3.28Å; E1364-K1368 WeakPolarHBondContact O-CG 3.42Å; E1364-K1368 PolarHBondContact O-N 3.25Å |
| 1365 | E | 91.7 | Very high | 93.4 | Very high | 104 Ų | 104 | 96.9 Ų | 96.9 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.3 | -34 | -179.7 | -154 | 61.6 | -149.5 | 0 | 0 | 111.9 | A1361 A1362 H1367 K1368 S1369 | A1361-E1365 PolarHBondContact O-N 3.44Å; A1362-E1365 PolarHBondContact O-N 3.03Å; E1365-H1367 VanDerWaalsContact C-N 3.33Å; E1365-K1368 WeakPolarHBondContact OE2-CD 3.16Å; E1365-K1368 WeakPolarHBondContact OE2-CE 3.43Å; E1365-K1368 IonicContact OE2-NZ 3.23Å; E1365-K1368 PolarHBondContact OE2-NZ 3.36Å; E1365-S1369 VanDerWaalsContact O-CB 3.31Å; E1365-S1369 WeakPolarHBondContact O-CB 3.42Å; E1365-S1369 PolarHBondContact O-N 3.31Å; E1365-S1369 PolarHBondContact O-OG 3.47Å |
| 1366 | L | 92.7 | Very high | 93.3 | Very high | 93 Ų | 93 | 95.5 Ų | 95.5 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 167.4 | -176.9 | 72.6 | 0 | 0 | 0 | 111.2 | A1362 E1363 S1369 R1370 | A1362-L1366 VanDerWaalsContact O-CB 3.31Å; A1362-L1366 WeakPolarHBondContact O-CB 3.48Å; A1362-L1366 PolarHBondContact O-N 3.16Å; E1363-L1366 PolarHBondContact O-N 3.24Å; L1366-S1369 PolarHBondContact O-N 3.41Å; L1366-R1370 WeakPolarHBondContact O-CG 3.45Å; L1366-R1370 PolarHBondContact O-N 3.3Å |
| 1367 | H | 94.3 | Very high | 93.2 | Very high | 127 Ų | 127 | 94.3 Ų | 94.3 | 59% | 0.588 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.3 | -47.5 | 178 | -167 | 96.9 | 0 | 0 | 0 | 111.5 | E1363 E1364 E1365 S1369 R1370 V1371 | E1363-H1367 WeakPolarHBondContact O-CB 3.49Å; E1363-H1367 PolarHBondContact O-N 2.89Å; E1364-H1367 WeakPolarHBondContact O-CB 3.32Å; E1364-H1367 PolarHBondContact O-N 3.28Å; E1365-H1367 VanDerWaalsContact C-N 3.33Å; H1367-S1369 VanDerWaalsContact C-N 3.29Å; H1367-S1369 PolarHBondContact O-N 3.14Å; H1367-R1370 PolarHBondContact O-N 2.95Å; H1367-R1370 VanDerWaalsContact O-N 3.15Å; H1367-V1371 WeakPolarHBondContact O-CG2 3.46Å; H1367-V1371 PolarHBondContact O-N 3.19Å |
| 1368 | K | 94.2 | Very high | 93.1 | Very high | 98 Ų | 98 | 96.3 Ų | 96.3 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.1 | -46.2 | 172.2 | -67 | 167.4 | -146.6 | 161.1 | 0 | 111 | E1364 E1365 R1370 V1371 T1372 | E1364-K1368 WeakPolarHBondContact O-CG 3.42Å; E1364-K1368 PolarHBondContact O-N 3.25Å; E1365-K1368 WeakPolarHBondContact OE2-CD 3.16Å; E1365-K1368 WeakPolarHBondContact OE2-CE 3.43Å; E1365-K1368 IonicContact OE2-NZ 3.23Å; E1365-K1368 PolarHBondContact OE2-NZ 3.36Å; K1368-R1370 PolarHBondContact O-N 3.19Å; K1368-V1371 PolarHBondContact O-N 2.98Å; K1368-V1371 VanDerWaalsContact O-N 3.17Å; K1368-T1372 PolarHBondContact O-N 2.94Å; K1368-T1372 PolarHBondContact O-OG1 3.37Å |
| 1369 | S | 91 | Very high | 93.1 | Very high | 54 Ų | 54 | 94.9 Ų | 94.9 | 38% | 0.378 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -39 | 177.8 | -59 | 0 | 0 | 0 | 0 | 112.7 | E1365 L1366 H1367 T1372 V1373 | E1365-S1369 VanDerWaalsContact O-CB 3.31Å; E1365-S1369 WeakPolarHBondContact O-CB 3.42Å; E1365-S1369 PolarHBondContact O-N 3.31Å; E1365-S1369 PolarHBondContact O-OG 3.47Å; L1366-S1369 PolarHBondContact O-N 3.41Å; H1367-S1369 VanDerWaalsContact C-N 3.29Å; H1367-S1369 PolarHBondContact O-N 3.14Å; S1369-T1372 PolarHBondContact O-N 2.83Å; S1369-T1372 PolarHBondContact O-OG1 3.47Å; S1369-T1372 VanDerWaalsContact O-OG1 3.06Å; S1369-V1373 WeakPolarHBondContact O-CB 3.36Å; S1369-V1373 VanDerWaalsContact O-CG2 3.25Å; S1369-V1373 WeakPolarHBondContact O-CG2 3.4Å; S1369-V1373 PolarHBondContact O-N 3.49Å |
| 1370 | R | 93.3 | Very high | 92.9 | Very high | 163 Ų | 163 | 95.7 Ų | 95.7 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.2 | -35.1 | 174.4 | -75.3 | 174.6 | 179.6 | -128.3 | 3.6 | 112.4 | L1366 H1367 K1368 K1374 | L1366-R1370 WeakPolarHBondContact O-CG 3.45Å; L1366-R1370 PolarHBondContact O-N 3.3Å; H1367-R1370 PolarHBondContact O-N 2.95Å; H1367-R1370 VanDerWaalsContact O-N 3.15Å; K1368-R1370 PolarHBondContact O-N 3.19Å; R1370-K1374 WeakPolarHBondContact O-CG 3.49Å; R1370-K1374 PolarHBondContact O-N 2.89Å |
| 1371 | V | 94.6 | Very high | 92.8 | Very high | 82 Ų | 82 | 100 Ų | 100 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.9 | -41.9 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | H1367 K1368 K1374 H1375 | H1367-V1371 WeakPolarHBondContact O-CG2 3.46Å; H1367-V1371 PolarHBondContact O-N 3.19Å; K1368-V1371 PolarHBondContact O-N 2.98Å; K1368-V1371 VanDerWaalsContact O-N 3.17Å; V1371-K1374 PolarHBondContact O-N 3.25Å; V1371-H1375 PolarHBondContact O-N 2.85Å |
| 1372 | T | 92.6 | Very high | 92.8 | Very high | 82 Ų | 82 | 103.6 Ų | 103.6 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.6 | -35.9 | 176.2 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | K1368 S1369 H1375 L1376 | K1368-T1372 PolarHBondContact O-N 2.94Å; K1368-T1372 PolarHBondContact O-OG1 3.37Å; S1369-T1372 PolarHBondContact O-N 2.83Å; S1369-T1372 PolarHBondContact O-OG1 3.47Å; S1369-T1372 VanDerWaalsContact O-OG1 3.06Å; T1372-H1375 PolarHBondContact O-N 3.45Å; T1372-L1376 WeakPolarHBondContact O-CG 3.5Å; T1372-L1376 PolarHBondContact O-N 2.94Å |
| 1373 | V | 91.1 | Very high | 92.9 | Very high | 72 Ų | 72 | 105.3 Ų | 105.3 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 171.2 | 167.2 | 0 | 0 | 0 | 0 | 110.9 | S1369 H1375 L1376 E1377 | S1369-V1373 WeakPolarHBondContact O-CB 3.36Å; S1369-V1373 VanDerWaalsContact O-CG2 3.25Å; S1369-V1373 WeakPolarHBondContact O-CG2 3.4Å; S1369-V1373 PolarHBondContact O-N 3.49Å; V1373-H1375 VanDerWaalsContact C-N 3.32Å; V1373-H1375 PolarHBondContact O-N 3.26Å; V1373-L1376 CarbonylContact O-C 3.59Å; V1373-L1376 WeakPolarHBondContact O-CA 3.31Å; V1373-L1376 WeakPolarHBondContact O-CB 3.28Å; V1373-L1376 PolarHBondContact O-N 2.9Å; V1373-E1377 HydrophobicContact CG1-CG 4.27Å; V1373-E1377 WeakPolarHBondContact O-CG 3.42Å; V1373-E1377 PolarHBondContact O-N 2.85Å |
| 1374 | K | 94.2 | Very high | 92.9 | Very high | 135 Ų | 135 | 104.1 Ų | 104.1 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.1 | -44.1 | 175.5 | -79.2 | -175.1 | 172.6 | -167.3 | 0 | 113.1 | R1370 V1371 L1376 E1377 D1378 | R1370-K1374 WeakPolarHBondContact O-CG 3.49Å; R1370-K1374 PolarHBondContact O-N 2.89Å; V1371-K1374 PolarHBondContact O-N 3.25Å; K1374-L1376 VanDerWaalsContact C-N 3.27Å; K1374-L1376 PolarHBondContact O-N 2.94Å; K1374-E1377 WeakPolarHBondContact CA-OE2 3.36Å; K1374-E1377 WeakPolarHBondContact O-CB 3.24Å; K1374-E1377 PolarHBondContact O-N 3.36Å; K1374-E1377 VanDerWaalsContact O-N 3.14Å; K1374-D1378 PolarHBondContact O-N 3.33Å |
| 1375 | H | 93.7 | Very high | 92.7 | Very high | 116 Ų | 116 | 100 Ų | 100 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -34.3 | 177.5 | -176 | 44.7 | 0 | 0 | 0 | 112.7 | V1371 T1372 V1373 I1379 | V1371-H1375 PolarHBondContact O-N 2.85Å; T1372-H1375 PolarHBondContact O-N 3.45Å; V1373-H1375 VanDerWaalsContact C-N 3.32Å; V1373-H1375 PolarHBondContact O-N 3.26Å; H1375-I1379 WeakPolarHBondContact O-CD1 3.46Å; H1375-I1379 VanDerWaalsContact O-CG1 3.27Å; H1375-I1379 WeakPolarHBondContact O-CG1 3.41Å; H1375-I1379 PolarHBondContact O-N 3.4Å; H1375-I1379 VanDerWaalsContact O-N 3.16Å |
| 1376 | L | 92.6 | Very high | 92.6 | Very high | 106 Ų | 106 | 99.2 Ų | 99.2 | 56% | 0.555 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.9 | -35.5 | 173.1 | -69.3 | 168.9 | 0 | 0 | 0 | 112.2 | T1372 V1373 K1374 I1379 V1380 | T1372-L1376 WeakPolarHBondContact O-CG 3.5Å; T1372-L1376 PolarHBondContact O-N 2.94Å; V1373-L1376 CarbonylContact O-C 3.59Å; V1373-L1376 WeakPolarHBondContact O-CA 3.31Å; V1373-L1376 WeakPolarHBondContact O-CB 3.28Å; V1373-L1376 PolarHBondContact O-N 2.9Å; K1374-L1376 VanDerWaalsContact C-N 3.27Å; K1374-L1376 PolarHBondContact O-N 2.94Å; L1376-I1379 PolarHBondContact O-N 3.14Å; L1376-V1380 WeakPolarHBondContact O-CB 3.49Å; L1376-V1380 VanDerWaalsContact O-CG2 3.3Å; L1376-V1380 WeakPolarHBondContact O-CG2 3.13Å; L1376-V1380 PolarHBondContact O-N 3.04Å |
| 1377 | E | 91.6 | Very high | 92.5 | Very high | 112 Ų | 112 | 99.5 Ų | 99.5 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 172.5 | -69.3 | 167.9 | 155.3 | 0 | 0 | 110.7 | V1373 K1374 I1379 V1380 E1381 | V1373-E1377 HydrophobicContact CG1-CG 4.27Å; V1373-E1377 WeakPolarHBondContact O-CG 3.42Å; V1373-E1377 PolarHBondContact O-N 2.85Å; K1374-E1377 WeakPolarHBondContact CA-OE2 3.36Å; K1374-E1377 WeakPolarHBondContact O-CB 3.24Å; K1374-E1377 PolarHBondContact O-N 3.36Å; K1374-E1377 VanDerWaalsContact O-N 3.14Å; E1377-I1379 VanDerWaalsContact C-N 3.31Å; E1377-I1379 PolarHBondContact O-N 3.04Å; E1377-V1380 PolarHBondContact O-N 3.44Å; E1377-V1380 VanDerWaalsContact O-N 3.12Å; E1377-E1381 PolarHBondContact O-N 3.04Å |
| 1378 | D | 93.4 | Very high | 92.4 | Very high | 111 Ų | 111 | 99.2 Ų | 99.2 | 59% | 0.594 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.6 | -41.5 | 174.5 | -66.9 | -34.3 | 0 | 0 | 0 | 112.2 | K1374 K1382 | K1374-D1378 PolarHBondContact O-N 3.33Å; D1378-K1382 WeakPolarHBondContact O-CB 3.4Å; D1378-K1382 PolarHBondContact O-N 3.05Å |
| 1379 | I | 94.9 | Very high | 92.1 | Very high | 69 Ų | 69 | 97.5 Ų | 97.5 | 35% | 0.354 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 176.6 | -72.8 | 166.7 | 0 | 0 | 0 | 111.2 | H1375 L1376 E1377 K1382 L1383 | H1375-I1379 WeakPolarHBondContact O-CD1 3.46Å; H1375-I1379 VanDerWaalsContact O-CG1 3.27Å; H1375-I1379 WeakPolarHBondContact O-CG1 3.41Å; H1375-I1379 PolarHBondContact O-N 3.4Å; H1375-I1379 VanDerWaalsContact O-N 3.16Å; L1376-I1379 PolarHBondContact O-N 3.14Å; E1377-I1379 VanDerWaalsContact C-N 3.31Å; E1377-I1379 PolarHBondContact O-N 3.04Å; I1379-K1382 PolarHBondContact O-N 3.06Å; I1379-L1383 HydrophobicContact CG2-CD1 3.85Å; I1379-L1383 HydrophobicContact CG2-CG 4.37Å; I1379-L1383 WeakPolarHBondContact O-CB 3.46Å; I1379-L1383 VanDerWaalsContact O-CG 3.29Å; I1379-L1383 WeakPolarHBondContact O-CG 3.47Å; I1379-L1383 PolarHBondContact O-N 3.48Å |
| 1380 | V | 90.7 | Very high | 91.8 | Very high | 93 Ų | 93 | 97.7 Ų | 97.7 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.9 | -41.7 | 177.6 | 167.3 | 0 | 0 | 0 | 0 | 111.3 | L1376 E1377 K1382 L1383 K1384 | L1376-V1380 WeakPolarHBondContact O-CB 3.49Å; L1376-V1380 VanDerWaalsContact O-CG2 3.3Å; L1376-V1380 WeakPolarHBondContact O-CG2 3.13Å; L1376-V1380 PolarHBondContact O-N 3.04Å; E1377-V1380 PolarHBondContact O-N 3.44Å; E1377-V1380 VanDerWaalsContact O-N 3.12Å; V1380-K1382 VanDerWaalsContact C-N 3.34Å; V1380-K1382 PolarHBondContact O-N 3.35Å; V1380-L1383 PolarHBondContact O-N 3.17Å; V1380-K1384 VanDerWaalsContact O-CB 3.26Å; V1380-K1384 WeakPolarHBondContact O-CB 3.48Å; V1380-K1384 PolarHBondContact O-N 2.73Å |
| 1381 | E | 92.6 | Very high | 91.6 | Very high | 118 Ų | 118 | 93.4 Ų | 93.4 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | 175.1 | -158.4 | 70.7 | -115.5 | 0 | 0 | 110.9 | E1377 K1384 G1385 | E1377-E1381 PolarHBondContact O-N 3.04Å; E1381-K1384 PolarHBondContact O-N 3.32Å; E1381-K1384 IonicContact OE1-NZ 2.66Å; E1381-K1384 PolarHBondContact OE1-NZ 3.49Å; E1381-G1385 PolarHBondContact O-N 3.41Å |
| 1382 | K | 94.1 | Very high | 91.4 | Very high | 134 Ų | 134 | 95.2 Ų | 95.2 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63 | -46.6 | 174.3 | -175.8 | 174 | -177.7 | -68.2 | 0 | 112.9 | D1378 I1379 V1380 K1384 G1385 E1386 | D1378-K1382 WeakPolarHBondContact O-CB 3.4Å; D1378-K1382 PolarHBondContact O-N 3.05Å; I1379-K1382 PolarHBondContact O-N 3.06Å; V1380-K1382 VanDerWaalsContact C-N 3.34Å; V1380-K1382 PolarHBondContact O-N 3.35Å; K1382-K1384 VanDerWaalsContact C-N 3.27Å; K1382-K1384 PolarHBondContact O-N 3.1Å; K1382-G1385 PolarHBondContact O-N 3.37Å; K1382-E1386 IonicContact NZ-OE1 2.59Å; K1382-E1386 PolarHBondContact NZ-OE1 2.87Å; K1382-E1386 PolarHBondContact O-N 3.34Å |
| 1383 | L | 93.1 | Very high | 91.4 | Very high | 98 Ų | 98 | 95.7 Ų | 95.7 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -30.6 | 177.5 | -75.3 | 170.9 | 0 | 0 | 0 | 112.5 | I1379 V1380 E1386 L1387 | I1379-L1383 HydrophobicContact CG2-CD1 3.85Å; I1379-L1383 HydrophobicContact CG2-CG 4.37Å; I1379-L1383 WeakPolarHBondContact O-CB 3.46Å; I1379-L1383 VanDerWaalsContact O-CG 3.29Å; I1379-L1383 WeakPolarHBondContact O-CG 3.47Å; I1379-L1383 PolarHBondContact O-N 3.48Å; V1380-L1383 PolarHBondContact O-N 3.17Å; L1383-E1386 PolarHBondContact O-N 2.96Å; L1383-L1387 WeakPolarHBondContact O-CB 3.26Å; L1383-L1387 PolarHBondContact O-N 2.8Å |
| 1384 | K | 91.7 | Very high | 91.3 | Very high | 97 Ų | 97 | 98.5 Ų | 98.5 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.5 | -43.8 | 174 | 176.7 | -178.6 | 151.8 | -139 | 0 | 111.4 | V1380 E1381 K1382 E1386 L1387 E1388 | V1380-K1384 VanDerWaalsContact O-CB 3.26Å; V1380-K1384 WeakPolarHBondContact O-CB 3.48Å; V1380-K1384 PolarHBondContact O-N 2.73Å; E1381-K1384 PolarHBondContact O-N 3.32Å; E1381-K1384 IonicContact OE1-NZ 2.66Å; E1381-K1384 PolarHBondContact OE1-NZ 3.49Å; K1382-K1384 VanDerWaalsContact C-N 3.27Å; K1382-K1384 PolarHBondContact O-N 3.1Å; K1384-E1386 VanDerWaalsContact C-N 3.34Å; K1384-E1386 PolarHBondContact O-N 2.97Å; K1384-L1387 WeakPolarHBondContact O-CB 3.33Å; K1384-L1387 PolarHBondContact O-N 2.84Å; K1384-E1388 WeakPolarHBondContact CE-OE1 3.36Å; K1384-E1388 WeakPolarHBondContact O-CG 3.3Å; K1384-E1388 PolarHBondContact O-N 2.73Å |
| 1385 | G | 89.2 | Confident | 91.1 | Very high | 36 Ų | 36 | 98.5 Ų | 98.5 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1381 K1382 E1388 S1389 | E1381-G1385 PolarHBondContact O-N 3.41Å; K1382-G1385 PolarHBondContact O-N 3.37Å; G1385-E1388 PolarHBondContact O-N 3.17Å; G1385-S1389 PolarHBondContact O-N 2.99Å |
| 1386 | E | 89.2 | Confident | 90.8 | Very high | 88 Ų | 88 | 98.4 Ų | 98.4 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 172.1 | -74.5 | 175.2 | -163.9 | 0 | 0 | 112.1 | K1382 L1383 K1384 S1389 S1390 | K1382-E1386 IonicContact NZ-OE1 2.59Å; K1382-E1386 PolarHBondContact NZ-OE1 2.87Å; K1382-E1386 PolarHBondContact O-N 3.34Å; L1383-E1386 PolarHBondContact O-N 2.96Å; K1384-E1386 VanDerWaalsContact C-N 3.34Å; K1384-E1386 PolarHBondContact O-N 2.97Å; E1386-S1389 PolarHBondContact O-N 3.44Å; E1386-S1389 PolarHBondContact O-OG 3.49Å; E1386-S1390 WeakPolarHBondContact O-CB 3.38Å; E1386-S1390 PolarHBondContact O-N 3.38Å |
| 1387 | L | 90.1 | Very high | 90.6 | Very high | 99 Ų | 99 | 96.4 Ų | 96.4 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 174.3 | 178.9 | 62.1 | 0 | 0 | 0 | 112.1 | L1383 K1384 S1389 S1390 D1391 | L1383-L1387 WeakPolarHBondContact O-CB 3.26Å; L1383-L1387 PolarHBondContact O-N 2.8Å; K1384-L1387 WeakPolarHBondContact O-CB 3.33Å; K1384-L1387 PolarHBondContact O-N 2.84Å; L1387-S1389 VanDerWaalsContact C-N 3.29Å; L1387-S1389 PolarHBondContact O-N 3.15Å; L1387-S1390 CarbonylContact O-C 3.56Å; L1387-S1390 WeakPolarHBondContact O-CA 3.47Å; L1387-S1390 WeakPolarHBondContact O-CB 3.35Å; L1387-S1390 PolarHBondContact O-N 3.33Å; L1387-D1391 PolarHBondContact O-N 3.4Å |
| 1388 | E | 92.2 | Very high | 90.5 | Very high | 120 Ų | 120 | 94.4 Ų | 94.4 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.3 | -39.4 | 175.5 | -71.7 | 170.3 | -162.3 | 0 | 0 | 111.1 | K1384 G1385 D1391 Q1392 | K1384-E1388 WeakPolarHBondContact CE-OE1 3.36Å; K1384-E1388 WeakPolarHBondContact O-CG 3.3Å; K1384-E1388 PolarHBondContact O-N 2.73Å; G1385-E1388 PolarHBondContact O-N 3.17Å; E1388-D1391 PolarHBondContact O-N 2.94Å; E1388-Q1392 PolarHBondContact O-N 2.91Å |
| 1389 | S | 87.2 | Confident | 90.3 | Very high | 62 Ų | 62 | 95 Ų | 95 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 172.2 | 82.6 | 0 | 0 | 0 | 0 | 113 | G1385 E1386 L1387 Q1392 V1393 | G1385-S1389 PolarHBondContact O-N 2.99Å; E1386-S1389 PolarHBondContact O-N 3.44Å; E1386-S1389 PolarHBondContact O-OG 3.49Å; L1387-S1389 VanDerWaalsContact C-N 3.29Å; L1387-S1389 PolarHBondContact O-N 3.15Å; S1389-Q1392 PolarHBondContact O-N 2.68Å; S1389-V1393 WeakPolarHBondContact O-CG2 3.33Å; S1389-V1393 PolarHBondContact O-N 2.88Å |
| 1390 | S | 86.6 | Confident | 90.1 | Very high | 59 Ų | 59 | 97.6 Ų | 97.6 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.9 | -36.9 | 175.9 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | E1386 L1387 R1394 | E1386-S1390 WeakPolarHBondContact O-CB 3.38Å; E1386-S1390 PolarHBondContact O-N 3.38Å; L1387-S1390 CarbonylContact O-C 3.56Å; L1387-S1390 WeakPolarHBondContact O-CA 3.47Å; L1387-S1390 WeakPolarHBondContact O-CB 3.35Å; L1387-S1390 PolarHBondContact O-N 3.33Å; S1390-R1394 WeakPolarHBondContact O-CB 3.45Å; S1390-R1394 PolarHBondContact O-N 3.14Å |
| 1391 | D | 89 | Confident | 89.6 | Confident | 72 Ų | 72 | 99.1 Ų | 99.1 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 173.6 | -77.9 | 8.1 | 0 | 0 | 0 | 110.8 | L1387 E1388 R1394 E1395 | L1387-D1391 PolarHBondContact O-N 3.4Å; E1388-D1391 PolarHBondContact O-N 2.94Å; D1391-R1394 WeakPolarHBondContact O-CB 3.21Å; D1391-R1394 PolarHBondContact O-N 2.68Å; D1391-R1394 VanDerWaalsContact O-N 3.16Å; D1391-R1394 IonicContact OD1-CZ 2.63Å; D1391-R1394 IonicContact OD1-NH1 3.17Å; D1391-R1394 PolarHBondContact OD1-NH1 2.98Å; D1391-R1394 IonicContact OD1-NH2 2.77Å; D1391-R1394 PolarHBondContact OD1-NH2 2.94Å; D1391-E1395 PolarHBondContact O-N 2.91Å |
| 1392 | Q | 90.3 | Very high | 89.5 | Confident | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -43.4 | 174.9 | -176.3 | 172.4 | 68.9 | 0 | 0 | 112.6 | E1388 S1389 R1394 E1395 H1396 | E1388-Q1392 PolarHBondContact O-N 2.91Å; S1389-Q1392 PolarHBondContact O-N 2.68Å; Q1392-R1394 VanDerWaalsContact C-N 3.27Å; Q1392-R1394 PolarHBondContact O-N 2.65Å; Q1392-E1395 PolarHBondContact O-N 3.35Å; Q1392-H1396 PolarHBondContact O-CD2 3.33Å; Q1392-H1396 PolarHBondContact O-N 2.91Å |
| 1393 | V | 91.7 | Very high | 89.1 | Confident | 92 Ų | 92 | 93.9 Ų | 93.9 | 56% | 0.558 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.9 | -36.9 | 173.3 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | S1389 T1397 | S1389-V1393 WeakPolarHBondContact O-CG2 3.33Å; S1389-V1393 PolarHBondContact O-N 2.88Å; V1393-T1397 WeakPolarHBondContact O-CB 3.48Å; V1393-T1397 PolarHBondContact O-N 2.99Å; V1393-T1397 PolarHBondContact O-OG1 2.61Å |
| 1394 | R | 88.5 | Confident | 88.8 | Confident | 131 Ų | 131 | 94.8 Ų | 94.8 | 49% | 0.494 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 176.4 | -162.2 | -174.8 | -47.8 | 118.3 | 19 | 112.3 | S1390 D1391 Q1392 T1397 S1398 | S1390-R1394 WeakPolarHBondContact O-CB 3.45Å; S1390-R1394 PolarHBondContact O-N 3.14Å; D1391-R1394 WeakPolarHBondContact O-CB 3.21Å; D1391-R1394 PolarHBondContact O-N 2.68Å; D1391-R1394 VanDerWaalsContact O-N 3.16Å; D1391-R1394 IonicContact OD1-CZ 2.63Å; D1391-R1394 IonicContact OD1-NH1 3.17Å; D1391-R1394 PolarHBondContact OD1-NH1 2.98Å; D1391-R1394 IonicContact OD1-NH2 2.77Å; D1391-R1394 PolarHBondContact OD1-NH2 2.94Å; Q1392-R1394 VanDerWaalsContact C-N 3.27Å; Q1392-R1394 PolarHBondContact O-N 2.65Å; R1394-T1397 PolarHBondContact O-N 3.48Å; R1394-S1398 WeakPolarHBondContact O-CB 3.22Å; R1394-S1398 PolarHBondContact O-N 3.44Å |
| 1395 | E | 91.1 | Very high | 88.5 | Confident | 136 Ų | 136 | 96.2 Ų | 96.2 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.5 | -48.9 | 173.7 | -173 | 176.7 | -175.6 | 0 | 0 | 111.2 | D1391 Q1392 T1397 S1398 H1399 | D1391-E1395 PolarHBondContact O-N 2.91Å; Q1392-E1395 PolarHBondContact O-N 3.35Å; E1395-T1397 VanDerWaalsContact C-N 3.31Å; E1395-T1397 PolarHBondContact O-N 2.86Å; E1395-S1398 PolarHBondContact O-N 2.9Å; E1395-H1399 PolarHBondContact O-N 2.86Å |
| 1396 | H | 87.6 | Confident | 88.7 | Confident | 114 Ų | 114 | 100.6 Ų | 100.6 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 173.6 | -71.2 | -52.3 | 0 | 0 | 0 | 112.5 | Q1392 H1399 L1400 | Q1392-H1396 PolarHBondContact O-CD2 3.33Å; Q1392-H1396 PolarHBondContact O-N 2.91Å; H1396-H1399 WeakPolarHBondContact O-CB 3.31Å; H1396-H1399 PolarHBondContact O-N 3.18Å; H1396-L1400 PolarHBondContact O-N 3Å |
| 1397 | T | 88.6 | Confident | 88.6 | Confident | 63 Ų | 63 | 102.3 Ų | 102.3 | 39% | 0.387 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.1 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | V1393 R1394 E1395 H1399 L1400 E1401 | V1393-T1397 WeakPolarHBondContact O-CB 3.48Å; V1393-T1397 PolarHBondContact O-N 2.99Å; V1393-T1397 PolarHBondContact O-OG1 2.61Å; R1394-T1397 PolarHBondContact O-N 3.48Å; E1395-T1397 VanDerWaalsContact C-N 3.31Å; E1395-T1397 PolarHBondContact O-N 2.86Å; T1397-H1399 VanDerWaalsContact C-N 3.26Å; T1397-H1399 PolarHBondContact O-N 3.06Å; T1397-L1400 PolarHBondContact O-N 3.43Å; T1397-E1401 WeakPolarHBondContact O-CG 3.31Å; T1397-E1401 PolarHBondContact O-N 3.43Å |
| 1398 | S | 89.4 | Confident | 88.5 | Confident | 70 Ų | 70 | 102.9 Ų | 102.9 | 49% | 0.49 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -32.3 | 176.7 | -174.5 | 0 | 0 | 0 | 0 | 112.7 | R1394 E1395 A1402 | R1394-S1398 WeakPolarHBondContact O-CB 3.22Å; R1394-S1398 PolarHBondContact O-N 3.44Å; E1395-S1398 PolarHBondContact O-N 2.9Å; S1398-A1402 WeakPolarHBondContact O-CB 3.34Å; S1398-A1402 PolarHBondContact O-N 2.92Å |
| 1399 | H | 89 | Confident | 88.2 | Confident | 124 Ų | 124 | 99.7 Ų | 99.7 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.5 | -45.4 | 175 | -136.6 | 99.7 | 0 | 0 | 0 | 111.2 | E1395 H1396 T1397 A1402 E1403 | E1395-H1399 PolarHBondContact O-N 2.86Å; H1396-H1399 WeakPolarHBondContact O-CB 3.31Å; H1396-H1399 PolarHBondContact O-N 3.18Å; T1397-H1399 VanDerWaalsContact C-N 3.26Å; T1397-H1399 PolarHBondContact O-N 3.06Å; H1399-A1402 PolarHBondContact O-N 3.25Å; H1399-E1403 WeakPolarHBondContact O-CG 3.36Å; H1399-E1403 PolarHBondContact O-N 2.88Å |
| 1400 | L | 89.5 | Confident | 88.2 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.8 | -40.6 | 174.2 | -85.1 | 154.9 | 0 | 0 | 0 | 112.5 | H1396 T1397 E1403 L1404 | H1396-L1400 PolarHBondContact O-N 3Å; T1397-L1400 PolarHBondContact O-N 3.43Å; L1400-E1403 PolarHBondContact O-N 2.93Å; L1400-L1404 WeakPolarHBondContact O-CB 3.27Å; L1400-L1404 PolarHBondContact O-N 3.3Å |
| 1401 | E | 81.8 | Confident | 88.2 | Confident | 125 Ų | 125 | 98 Ų | 98 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 173.7 | -73.2 | -179.8 | 165.8 | 0 | 0 | 111.9 | T1397 L1404 E1405 | T1397-E1401 WeakPolarHBondContact O-CG 3.31Å; T1397-E1401 PolarHBondContact O-N 3.43Å; E1401-L1404 PolarHBondContact O-N 3.21Å; E1401-E1405 PolarHBondContact O-N 3.34Å |
| 1402 | A | 88.9 | Confident | 87.8 | Confident | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1398 H1399 K1406 | S1398-A1402 WeakPolarHBondContact O-CB 3.34Å; S1398-A1402 PolarHBondContact O-N 2.92Å; H1399-A1402 PolarHBondContact O-N 3.25Å; A1402-K1406 WeakPolarHBondContact O-CB 3.39Å; A1402-K1406 PolarHBondContact O-N 3.4Å |
| 1403 | E | 86.6 | Confident | 87.6 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 172.4 | -69.1 | -129 | 104.9 | 0 | 0 | 112.1 | H1399 L1400 K1406 H1407 | H1399-E1403 WeakPolarHBondContact O-CG 3.36Å; H1399-E1403 PolarHBondContact O-N 2.88Å; L1400-E1403 PolarHBondContact O-N 2.93Å; E1403-K1406 WeakPolarHBondContact O-CB 3.44Å; E1403-K1406 PolarHBondContact O-N 2.88Å; E1403-K1406 IonicContact OE1-NZ 2.62Å; E1403-K1406 PolarHBondContact OE1-NZ 3.05Å; E1403-H1407 WeakPolarHBondContact O-CB 3.35Å; E1403-H1407 PolarHBondContact O-CD2 2.88Å; E1403-H1407 VanDerWaalsContact O-CD2 3.25Å; E1403-H1407 PolarHBondContact O-N 2.85Å |
| 1404 | L | 86 | Confident | 87.3 | Confident | 116 Ų | 116 | 95.4 Ų | 95.4 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | 177 | -176.4 | 60.4 | 0 | 0 | 0 | 112.1 | L1400 E1401 H1407 M1408 | L1400-L1404 WeakPolarHBondContact O-CB 3.27Å; L1400-L1404 PolarHBondContact O-N 3.3Å; E1401-L1404 PolarHBondContact O-N 3.21Å; L1404-H1407 PolarHBondContact O-N 2.9Å; L1404-M1408 WeakPolarHBondContact O-CB 3.29Å; L1404-M1408 VanDerWaalsContact O-CG 3.28Å; L1404-M1408 WeakPolarHBondContact O-CG 3.27Å; L1404-M1408 PolarHBondContact O-N 3.36Å |
| 1405 | E | 86.4 | Confident | 87.1 | Confident | 127 Ų | 127 | 93.4 Ų | 93.4 | 59% | 0.593 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66 | -39.1 | 174.4 | -178.8 | 57.6 | -151.9 | 0 | 0 | 111.4 | E1401 H1407 M1408 A1409 | E1401-E1405 PolarHBondContact O-N 3.34Å; E1405-H1407 PolarHBondContact O-N 2.89Å; E1405-M1408 PolarHBondContact O-N 3.29Å; E1405-A1409 VanDerWaalsContact O-CB 3.31Å; E1405-A1409 WeakPolarHBondContact O-CB 3.37Å; E1405-A1409 PolarHBondContact O-N 3.39Å |
| 1406 | K | 92.7 | Very high | 86.8 | Confident | 128 Ų | 128 | 92.3 Ų | 92.3 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.7 | -42 | 171.2 | 168.7 | -173 | 163.3 | -158.6 | 0 | 111.7 | A1402 E1403 A1410 | A1402-K1406 WeakPolarHBondContact O-CB 3.39Å; A1402-K1406 PolarHBondContact O-N 3.4Å; E1403-K1406 WeakPolarHBondContact O-CB 3.44Å; E1403-K1406 PolarHBondContact O-N 2.88Å; E1403-K1406 IonicContact OE1-NZ 2.62Å; E1403-K1406 PolarHBondContact OE1-NZ 3.05Å; K1406-A1410 WeakPolarHBondContact O-CB 3.5Å; K1406-A1410 PolarHBondContact O-N 2.9Å |
| 1407 | H | 87.3 | Confident | 86.8 | Confident | 125 Ų | 125 | 90.2 Ų | 90.2 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.4 | -40.6 | 173.2 | -88.3 | -75.3 | 0 | 0 | 0 | 112.6 | E1403 L1404 E1405 A1410 A1411 | E1403-H1407 WeakPolarHBondContact O-CB 3.35Å; E1403-H1407 PolarHBondContact O-CD2 2.88Å; E1403-H1407 VanDerWaalsContact O-CD2 3.25Å; E1403-H1407 PolarHBondContact O-N 2.85Å; L1404-H1407 PolarHBondContact O-N 2.9Å; E1405-H1407 PolarHBondContact O-N 2.89Å; H1407-A1410 PolarHBondContact O-N 3.07Å; H1407-A1411 WeakPolarHBondContact O-CB 3.5Å; H1407-A1411 PolarHBondContact O-N 3.32Å |
| 1408 | M | 89 | Confident | 86.5 | Confident | 110 Ų | 110 | 94.2 Ų | 94.2 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.5 | -73.2 | -96.4 | 62.5 | 0 | 0 | 111.7 | L1404 E1405 S1412 | L1404-M1408 WeakPolarHBondContact O-CB 3.29Å; L1404-M1408 VanDerWaalsContact O-CG 3.28Å; L1404-M1408 WeakPolarHBondContact O-CG 3.27Å; L1404-M1408 PolarHBondContact O-N 3.36Å; E1405-M1408 PolarHBondContact O-N 3.29Å; M1408-S1412 WeakPolarHBondContact O-CB 3.41Å; M1408-S1412 PolarHBondContact O-N 3.48Å |
| 1409 | A | 85.4 | Confident | 86.3 | Confident | 54 Ų | 54 | 93.9 Ų | 93.9 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1405 S1412 A1413 | E1405-A1409 VanDerWaalsContact O-CB 3.31Å; E1405-A1409 WeakPolarHBondContact O-CB 3.37Å; E1405-A1409 PolarHBondContact O-N 3.39Å; A1409-S1412 PolarHBondContact O-N 3.14Å; A1409-A1413 WeakPolarHBondContact O-CB 3.42Å; A1409-A1413 PolarHBondContact O-N 3.21Å |
| 1410 | A | 87.5 | Confident | 86.2 | Confident | 43 Ų | 43 | 92.8 Ų | 92.8 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -53.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1406 H1407 S1412 A1413 E1414 | K1406-A1410 WeakPolarHBondContact O-CB 3.5Å; K1406-A1410 PolarHBondContact O-N 2.9Å; H1407-A1410 PolarHBondContact O-N 3.07Å; A1410-S1412 VanDerWaalsContact C-N 3.28Å; A1410-S1412 PolarHBondContact O-N 3.3Å; A1410-A1413 WeakPolarHBondContact O-CA 3.28Å; A1410-A1413 WeakPolarHBondContact O-CB 3.21Å; A1410-A1413 PolarHBondContact O-N 2.76Å; A1410-E1414 PolarHBondContact O-N 3.19Å |
| 1411 | A | 86 | Confident | 86.1 | Confident | 43 Ų | 43 | 92.4 Ų | 92.4 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1407 E1414 C1415 | H1407-A1411 WeakPolarHBondContact O-CB 3.5Å; H1407-A1411 PolarHBondContact O-N 3.32Å; A1411-E1414 PolarHBondContact O-N 2.87Å; A1411-C1415 WeakPolarHBondContact O-CB 3.46Å; A1411-C1415 PolarHBondContact O-N 3.5Å; A1411-C1415 PolarHBondContact O-SG 3.07Å |
| 1412 | S | 80 | Confident | 86.4 | Confident | 75 Ų | 75 | 89.7 Ų | 89.7 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 174.2 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | M1408 A1409 A1410 Q1416 | M1408-S1412 WeakPolarHBondContact O-CB 3.41Å; M1408-S1412 PolarHBondContact O-N 3.48Å; A1409-S1412 PolarHBondContact O-N 3.14Å; A1410-S1412 VanDerWaalsContact C-N 3.28Å; A1410-S1412 PolarHBondContact O-N 3.3Å; S1412-Q1416 VanDerWaalsContact O-CB 3.3Å; S1412-Q1416 WeakPolarHBondContact O-CB 3.42Å; S1412-Q1416 PolarHBondContact O-N 2.86Å |
| 1413 | A | 87.3 | Confident | 86.2 | Confident | 46 Ų | 46 | 89.7 Ų | 89.7 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1409 A1410 Q1416 N1417 | A1409-A1413 WeakPolarHBondContact O-CB 3.42Å; A1409-A1413 PolarHBondContact O-N 3.21Å; A1410-A1413 WeakPolarHBondContact O-CA 3.28Å; A1410-A1413 WeakPolarHBondContact O-CB 3.21Å; A1410-A1413 PolarHBondContact O-N 2.76Å; A1413-Q1416 CarbonylContact O-C 3.56Å; A1413-Q1416 WeakPolarHBondContact O-CB 3.44Å; A1413-Q1416 PolarHBondContact O-N 3.18Å; A1413-N1417 VanDerWaalsContact O-CG 3.25Å; A1413-N1417 PolarHBondContact O-N 3.36Å; A1413-N1417 PolarHBondContact O-OD1 2.7Å |
| 1414 | E | 85.6 | Confident | 86.2 | Confident | 108 Ų | 108 | 87.6 Ų | 87.6 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -51.7 | 173.9 | -73.5 | 176.4 | -156.7 | 0 | 0 | 111.9 | A1410 A1411 Q1416 N1417 Y1418 | A1410-E1414 PolarHBondContact O-N 3.19Å; A1411-E1414 PolarHBondContact O-N 2.87Å; E1414-Q1416 PolarHBondContact O-N 3.41Å; E1414-N1417 CarbonylContact O-C 3.58Å; E1414-N1417 WeakPolarHBondContact O-CA 3.38Å; E1414-N1417 WeakPolarHBondContact O-CB 3.28Å; E1414-N1417 PolarHBondContact O-N 2.84Å; E1414-Y1418 HydrophobicContact CB-CE2 4.3Å; E1414-Y1418 WeakPolarHBondContact O-CD2 3.4Å; E1414-Y1418 PolarHBondContact O-N 2.83Å |
| 1415 | C | 84.3 | Confident | 86.4 | Confident | 88 Ų | 88 | 87.7 Ų | 87.7 | 60% | 0.595 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -55.4 | -36.1 | 173.3 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | A1411 N1417 A1419 | A1411-C1415 WeakPolarHBondContact O-CB 3.46Å; A1411-C1415 PolarHBondContact O-N 3.5Å; A1411-C1415 PolarHBondContact O-SG 3.07Å; C1415-N1417 VanDerWaalsContact C-N 3.35Å; C1415-A1419 VanDerWaalsContact O-CB 3.26Å; C1415-A1419 WeakPolarHBondContact O-CB 3.48Å; C1415-A1419 PolarHBondContact O-N 2.84Å |
| 1416 | Q | 83.7 | Confident | 86.4 | Confident | 114 Ų | 114 | 90.1 Ų | 90.1 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.4 | -23.6 | 174.4 | -157 | -161.1 | 106.1 | 0 | 0 | 113.1 | S1412 A1413 E1414 K1420 | S1412-Q1416 VanDerWaalsContact O-CB 3.3Å; S1412-Q1416 WeakPolarHBondContact O-CB 3.42Å; S1412-Q1416 PolarHBondContact O-N 2.86Å; A1413-Q1416 CarbonylContact O-C 3.56Å; A1413-Q1416 WeakPolarHBondContact O-CB 3.44Å; A1413-Q1416 PolarHBondContact O-N 3.18Å; E1414-Q1416 PolarHBondContact O-N 3.41Å; Q1416-K1420 VanDerWaalsContact O-CD 3.26Å; Q1416-K1420 WeakPolarHBondContact O-CD 3.49Å; Q1416-K1420 WeakPolarHBondContact O-CE 3.26Å; Q1416-K1420 WeakPolarHBondContact O-CG 3.33Å; Q1416-K1420 PolarHBondContact O-N 2.76Å; Q1416-K1420 PolarHBondContact O-NZ 2.92Å |
| 1417 | N | 88 | Confident | 86.2 | Confident | 70 Ų | 70 | 89.5 Ų | 89.5 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -78.6 | -49.6 | 173.3 | -70 | -16.2 | 0 | 0 | 0 | 111 | A1413 E1414 C1415 A1419 K1420 E1421 | A1413-N1417 VanDerWaalsContact O-CG 3.25Å; A1413-N1417 PolarHBondContact O-N 3.36Å; A1413-N1417 PolarHBondContact O-OD1 2.7Å; E1414-N1417 CarbonylContact O-C 3.58Å; E1414-N1417 WeakPolarHBondContact O-CA 3.38Å; E1414-N1417 WeakPolarHBondContact O-CB 3.28Å; E1414-N1417 PolarHBondContact O-N 2.84Å; C1415-N1417 VanDerWaalsContact C-N 3.35Å; N1417-A1419 PolarHBondContact O-N 2.85Å; N1417-K1420 WeakPolarHBondContact O-CA 3.37Å; N1417-K1420 WeakPolarHBondContact O-CB 3.3Å; N1417-K1420 PolarHBondContact O-N 3.41Å; N1417-K1420 PolarHBondContact OD1-NZ 3.33Å; N1417-E1421 PolarHBondContact O-N 3.35Å |
| 1418 | Y | 81.1 | Confident | 86.3 | Confident | 146 Ų | 146 | 88.5 Ų | 88.5 | 57% | 0.573 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -52.5 | -40.9 | 169.8 | -69.7 | -61.7 | 0 | 0 | 0 | 111.7 | E1414 K1420 E1421 V1422 | E1414-Y1418 HydrophobicContact CB-CE2 4.3Å; E1414-Y1418 WeakPolarHBondContact O-CD2 3.4Å; E1414-Y1418 PolarHBondContact O-N 2.83Å; Y1418-K1420 VanDerWaalsContact C-N 3.32Å; Y1418-K1420 PolarHBondContact O-N 3Å; Y1418-E1421 PolarHBondContact O-N 3.13Å; Y1418-V1422 WeakPolarHBondContact O-CB 3.38Å; Y1418-V1422 VanDerWaalsContact O-CG2 3.29Å; Y1418-V1422 WeakPolarHBondContact O-CG2 3.43Å; Y1418-V1422 PolarHBondContact O-N 3.12Å |
| 1419 | A | 85.9 | Confident | 86.3 | Confident | 63 Ų | 63 | 89 Ų | 89 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66 | -27.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C1415 N1417 A1423 | C1415-A1419 VanDerWaalsContact O-CB 3.26Å; C1415-A1419 WeakPolarHBondContact O-CB 3.48Å; C1415-A1419 PolarHBondContact O-N 2.84Å; N1417-A1419 PolarHBondContact O-N 2.85Å; A1419-A1423 VanDerWaalsContact O-CB 3.29Å; A1419-A1423 WeakPolarHBondContact O-CB 3.49Å; A1419-A1423 PolarHBondContact O-N 3.09Å |
| 1420 | K | 87.5 | Confident | 86.4 | Confident | 101 Ų | 101 | 92.1 Ų | 92.1 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.3 | -42 | 172.5 | -66.9 | 155.6 | -157.4 | 148.3 | 0 | 110.9 | Q1416 N1417 Y1418 A1423 G1424 | Q1416-K1420 VanDerWaalsContact O-CD 3.26Å; Q1416-K1420 WeakPolarHBondContact O-CD 3.49Å; Q1416-K1420 WeakPolarHBondContact O-CE 3.26Å; Q1416-K1420 WeakPolarHBondContact O-CG 3.33Å; Q1416-K1420 PolarHBondContact O-N 2.76Å; Q1416-K1420 PolarHBondContact O-NZ 2.92Å; N1417-K1420 WeakPolarHBondContact O-CA 3.37Å; N1417-K1420 WeakPolarHBondContact O-CB 3.3Å; N1417-K1420 PolarHBondContact O-N 3.41Å; N1417-K1420 PolarHBondContact OD1-NZ 3.33Å; Y1418-K1420 VanDerWaalsContact C-N 3.32Å; Y1418-K1420 PolarHBondContact O-N 3Å; K1420-A1423 PolarHBondContact O-N 3.15Å; K1420-G1424 PolarHBondContact O-N 3.47Å |
| 1421 | E | 87.1 | Confident | 86.4 | Confident | 116 Ų | 116 | 94.2 Ų | 94.2 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -47.2 | -179.5 | -73 | 165.4 | -164.1 | 0 | 0 | 111.1 | N1417 Y1418 A1423 G1424 L1425 | N1417-E1421 PolarHBondContact O-N 3.35Å; Y1418-E1421 PolarHBondContact O-N 3.13Å; E1421-A1423 VanDerWaalsContact C-N 3.26Å; E1421-A1423 PolarHBondContact O-N 3.31Å; E1421-G1424 CarbonylContact O-C 3.58Å; E1421-G1424 WeakPolarHBondContact O-CA 3.34Å; E1421-G1424 PolarHBondContact O-N 2.95Å; E1421-L1425 WeakPolarHBondContact O-CG 3.38Å; E1421-L1425 PolarHBondContact O-N 2.91Å |
| 1422 | V | 87 | Confident | 86.3 | Confident | 69 Ų | 69 | 94 Ų | 94 | 42% | 0.418 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -34.8 | 172.6 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | Y1418 R1426 | Y1418-V1422 WeakPolarHBondContact O-CB 3.38Å; Y1418-V1422 VanDerWaalsContact O-CG2 3.29Å; Y1418-V1422 WeakPolarHBondContact O-CG2 3.43Å; Y1418-V1422 PolarHBondContact O-N 3.12Å; V1422-R1426 WeakPolarHBondContact O-CB 3.37Å; V1422-R1426 WeakPolarHBondContact O-CD 3.45Å; V1422-R1426 WeakPolarHBondContact O-CG 3.36Å; V1422-R1426 PolarHBondContact O-N 3.46Å |
| 1423 | A | 85.4 | Confident | 86.6 | Confident | 58 Ų | 58 | 95.9 Ų | 95.9 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1419 K1420 E1421 Q1427 | A1419-A1423 VanDerWaalsContact O-CB 3.29Å; A1419-A1423 WeakPolarHBondContact O-CB 3.49Å; A1419-A1423 PolarHBondContact O-N 3.09Å; K1420-A1423 PolarHBondContact O-N 3.15Å; E1421-A1423 VanDerWaalsContact C-N 3.26Å; E1421-A1423 PolarHBondContact O-N 3.31Å; A1423-Q1427 WeakPolarHBondContact O-CB 3.46Å; A1423-Q1427 PolarHBondContact O-N 2.84Å |
| 1424 | G | 87.2 | Confident | 86.6 | Confident | 39 Ų | 39 | 96.6 Ų | 96.6 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1420 E1421 Q1427 L1428 | K1420-G1424 PolarHBondContact O-N 3.47Å; E1421-G1424 CarbonylContact O-C 3.58Å; E1421-G1424 WeakPolarHBondContact O-CA 3.34Å; E1421-G1424 PolarHBondContact O-N 2.95Å; G1424-Q1427 WeakPolarHBondContact O-CB 3.46Å; G1424-Q1427 PolarHBondContact O-N 3.17Å; G1424-L1428 WeakPolarHBondContact O-CB 3.25Å; G1424-L1428 PolarHBondContact O-N 3.43Å |
| 1425 | L | 89 | Confident | 86.6 | Confident | 119 Ų | 119 | 97.3 Ų | 97.3 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -39 | 174.6 | -69.1 | 171.7 | 0 | 0 | 0 | 111.5 | E1421 L1428 L1429 | E1421-L1425 WeakPolarHBondContact O-CG 3.38Å; E1421-L1425 PolarHBondContact O-N 2.91Å; L1425-L1428 PolarHBondContact O-N 3.03Å; L1425-L1429 VanDerWaalsContact O-CB 3.32Å; L1425-L1429 WeakPolarHBondContact O-CB 3.07Å; L1425-L1429 PolarHBondContact O-N 2.62Å |
| 1426 | R | 87.5 | Confident | 86.6 | Confident | 178 Ų | 178 | 96.6 Ų | 96.6 | 67% | 0.672 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | 172.4 | -75.3 | 170.7 | -175.8 | -130.5 | 0.8 | 112.4 | V1422 L1430 | V1422-R1426 WeakPolarHBondContact O-CB 3.37Å; V1422-R1426 WeakPolarHBondContact O-CD 3.45Å; V1422-R1426 WeakPolarHBondContact O-CG 3.36Å; V1422-R1426 PolarHBondContact O-N 3.46Å; R1426-L1430 WeakPolarHBondContact O-CB 3.42Å; R1426-L1430 PolarHBondContact O-N 3.42Å; R1426-L1430 VanDerWaalsContact O-N 3.08Å |
| 1427 | Q | 88.5 | Confident | 86.6 | Confident | 115 Ų | 115 | 95.5 Ų | 95.5 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -48.7 | 173.5 | -178.7 | 78.6 | 40 | 0 | 0 | 110.4 | A1423 G1424 L1429 L1430 E1431 | A1423-Q1427 WeakPolarHBondContact O-CB 3.46Å; A1423-Q1427 PolarHBondContact O-N 2.84Å; G1424-Q1427 WeakPolarHBondContact O-CB 3.46Å; G1424-Q1427 PolarHBondContact O-N 3.17Å; Q1427-L1429 PolarHBondContact O-N 3Å; Q1427-L1430 PolarHBondContact O-N 3.21Å; Q1427-E1431 WeakPolarHBondContact CG-OE1 3.31Å; Q1427-E1431 PolarHBondContact NE2-OE1 3.39Å; Q1427-E1431 WeakPolarHBondContact O-CG 3.3Å; Q1427-E1431 PolarHBondContact O-N 3.07Å |
| 1428 | L | 89 | Confident | 86.4 | Confident | 103 Ų | 103 | 98.4 Ų | 98.4 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | -179.7 | -155 | 79 | 0 | 0 | 0 | 112.5 | G1424 L1425 E1431 S1432 | G1424-L1428 WeakPolarHBondContact O-CB 3.25Å; G1424-L1428 PolarHBondContact O-N 3.43Å; L1425-L1428 PolarHBondContact O-N 3.03Å; L1428-E1431 PolarHBondContact O-N 3.3Å; L1428-S1432 VanDerWaalsContact O-CB 3.31Å; L1428-S1432 WeakPolarHBondContact O-CB 3.26Å; L1428-S1432 PolarHBondContact O-N 3.09Å |
| 1429 | L | 88.4 | Confident | 86.5 | Confident | 122 Ų | 122 | 93 Ų | 93 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -40.6 | 174.9 | -175.1 | 67.6 | 0 | 0 | 0 | 111.6 | L1425 Q1427 S1432 Q1433 | L1425-L1429 VanDerWaalsContact O-CB 3.32Å; L1425-L1429 WeakPolarHBondContact O-CB 3.07Å; L1425-L1429 PolarHBondContact O-N 2.62Å; Q1427-L1429 PolarHBondContact O-N 3Å; L1429-S1432 PolarHBondContact O-N 3.42Å; L1429-Q1433 WeakPolarHBondContact O-CB 3.41Å; L1429-Q1433 PolarHBondContact O-N 3.03Å |
| 1430 | L | 87.9 | Confident | 86.4 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71 | -37.4 | 178.9 | -138.2 | 160.3 | 0 | 0 | 0 | 111.5 | R1426 Q1427 Q1433 S1434 | R1426-L1430 WeakPolarHBondContact O-CB 3.42Å; R1426-L1430 PolarHBondContact O-N 3.42Å; R1426-L1430 VanDerWaalsContact O-N 3.08Å; Q1427-L1430 PolarHBondContact O-N 3.21Å; L1430-Q1433 PolarHBondContact O-N 3.12Å; L1430-S1434 WeakPolarHBondContact O-CB 3.35Å; L1430-S1434 PolarHBondContact O-N 3.5Å |
| 1431 | E | 87.8 | Confident | 86.1 | Confident | 88 Ų | 88 | 96.5 Ų | 96.5 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 171.5 | -74 | 169.7 | -167 | 0 | 0 | 112 | Q1427 L1428 Q1435 | Q1427-E1431 WeakPolarHBondContact CG-OE1 3.31Å; Q1427-E1431 PolarHBondContact NE2-OE1 3.39Å; Q1427-E1431 WeakPolarHBondContact O-CG 3.3Å; Q1427-E1431 PolarHBondContact O-N 3.07Å; L1428-E1431 PolarHBondContact O-N 3.3Å; E1431-Q1435 WeakPolarHBondContact O-CB 3.34Å; E1431-Q1435 WeakPolarHBondContact O-CG 3.38Å; E1431-Q1435 PolarHBondContact O-N 3.1Å; E1431-Q1435 PolarHBondContact O-NE2 2.81Å |
| 1432 | S | 84.4 | Confident | 85.9 | Confident | 38 Ų | 38 | 93.9 Ų | 93.9 | 27% | 0.266 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | 173.4 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | L1428 L1429 L1436 Q1566 | L1428-S1432 VanDerWaalsContact O-CB 3.31Å; L1428-S1432 WeakPolarHBondContact O-CB 3.26Å; L1428-S1432 PolarHBondContact O-N 3.09Å; L1429-S1432 PolarHBondContact O-N 3.42Å; S1432-L1436 WeakPolarHBondContact O-CB 3.46Å; S1432-L1436 PolarHBondContact O-N 2.65Å; S1432-Q1566 PolarHBondContact OG-NE2 2.78Å; S1432-Q1566 VanDerWaalsContact OG-NE2 3.16Å |
| 1433 | Q | 85.7 | Confident | 85.6 | Confident | 115 Ų | 115 | 93.1 Ų | 93.1 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69 | -45.8 | 175.7 | -173.2 | 169.9 | 16.1 | 0 | 0 | 110.8 | L1429 L1430 Q1435 L1436 D1437 | L1429-Q1433 WeakPolarHBondContact O-CB 3.41Å; L1429-Q1433 PolarHBondContact O-N 3.03Å; L1430-Q1433 PolarHBondContact O-N 3.12Å; Q1433-Q1435 VanDerWaalsContact C-N 3.31Å; Q1433-Q1435 PolarHBondContact O-N 3.06Å; Q1433-L1436 WeakPolarHBondContact O-CB 3.18Å; Q1433-L1436 PolarHBondContact O-N 2.97Å; Q1433-L1436 VanDerWaalsContact O-N 3.11Å; Q1433-D1437 PolarHBondContact O-N 2.84Å |
| 1434 | S | 88 | Confident | 85.6 | Confident | 61 Ų | 61 | 95.5 Ų | 95.5 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -41.3 | 174.8 | -166.7 | 0 | 0 | 0 | 0 | 112.4 | L1430 D1437 E1438 | L1430-S1434 WeakPolarHBondContact O-CB 3.35Å; L1430-S1434 PolarHBondContact O-N 3.5Å; S1434-D1437 PolarHBondContact O-N 3.38Å; S1434-E1438 WeakPolarHBondContact O-CB 3.41Å; S1434-E1438 WeakPolarHBondContact O-CG 3.31Å; S1434-E1438 PolarHBondContact O-N 3.04Å |
| 1435 | Q | 84.8 | Confident | 85.6 | Confident | 123 Ų | 123 | 98.5 Ų | 98.5 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.6 | -34.9 | 175.5 | -78.4 | 166.6 | 74.6 | 0 | 0 | 112.7 | E1431 Q1433 A1439 | E1431-Q1435 WeakPolarHBondContact O-CB 3.34Å; E1431-Q1435 WeakPolarHBondContact O-CG 3.38Å; E1431-Q1435 PolarHBondContact O-N 3.1Å; E1431-Q1435 PolarHBondContact O-NE2 2.81Å; Q1433-Q1435 VanDerWaalsContact C-N 3.31Å; Q1433-Q1435 PolarHBondContact O-N 3.06Å; Q1435-A1439 WeakPolarHBondContact O-CB 3.25Å; Q1435-A1439 PolarHBondContact O-N 2.77Å |
| 1436 | L | 84.9 | Confident | 85.3 | Confident | 72 Ų | 72 | 94.3 Ų | 94.3 | 38% | 0.377 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 174.8 | -173 | 71 | 0 | 0 | 0 | 111.3 | S1432 Q1433 K1440 L1569 | S1432-L1436 WeakPolarHBondContact O-CB 3.46Å; S1432-L1436 PolarHBondContact O-N 2.65Å; Q1433-L1436 WeakPolarHBondContact O-CB 3.18Å; Q1433-L1436 PolarHBondContact O-N 2.97Å; Q1433-L1436 VanDerWaalsContact O-N 3.11Å; L1436-K1440 VanDerWaalsContact O-CB 3.24Å; L1436-K1440 WeakPolarHBondContact O-CB 3.35Å; L1436-K1440 PolarHBondContact O-N 3.47Å; L1436-L1569 HydrophobicContact CD1-CD1 3.77Å; L1436-L1569 HydrophobicContact CD1-CD2 4.01Å |
| 1437 | D | 83.7 | Confident | 85 | Confident | 92 Ų | 92 | 89.2 Ų | 89.2 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 177.9 | -69.2 | -35.9 | 0 | 0 | 0 | 111.8 | Q1433 S1434 K1440 S1441 | Q1433-D1437 PolarHBondContact O-N 2.84Å; S1434-D1437 PolarHBondContact O-N 3.38Å; D1437-K1440 PolarHBondContact O-N 2.89Å; D1437-S1441 PolarHBondContact O-N 3.42Å |
| 1438 | E | 83.9 | Confident | 84.6 | Confident | 130 Ų | 130 | 88 Ų | 88 | 61% | 0.607 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.9 | -47.8 | 172.1 | -76.9 | -178.2 | 143.2 | 0 | 0 | 111.8 | S1434 K1440 S1441 E1442 | S1434-E1438 WeakPolarHBondContact O-CB 3.41Å; S1434-E1438 WeakPolarHBondContact O-CG 3.31Å; S1434-E1438 PolarHBondContact O-N 3.04Å; E1438-K1440 VanDerWaalsContact C-N 3.3Å; E1438-K1440 PolarHBondContact O-N 3.12Å; E1438-S1441 PolarHBondContact O-N 3.34Å; E1438-E1442 WeakPolarHBondContact O-CB 3.09Å; E1438-E1442 PolarHBondContact O-N 3.17Å |
| 1439 | A | 82.2 | Confident | 84.3 | Confident | 33 Ų | 33 | 87.2 Ų | 87.2 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q1435 A1443 | Q1435-A1439 WeakPolarHBondContact O-CB 3.25Å; Q1435-A1439 PolarHBondContact O-N 2.77Å; A1439-A1443 VanDerWaalsContact O-CB 3.22Å; A1439-A1443 WeakPolarHBondContact O-CB 3.28Å; A1439-A1443 PolarHBondContact O-N 3.36Å |
| 1440 | K | 84 | Confident | 84 | Confident | 152 Ų | 152 | 84.6 Ų | 84.6 | 66% | 0.661 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.8 | -40.7 | 175.2 | -174.2 | 176.2 | -178.7 | 179.3 | 0 | 112.3 | L1436 D1437 E1438 A1443 Q1444 | L1436-K1440 VanDerWaalsContact O-CB 3.24Å; L1436-K1440 WeakPolarHBondContact O-CB 3.35Å; L1436-K1440 PolarHBondContact O-N 3.47Å; D1437-K1440 PolarHBondContact O-N 2.89Å; E1438-K1440 VanDerWaalsContact C-N 3.3Å; E1438-K1440 PolarHBondContact O-N 3.12Å; K1440-A1443 PolarHBondContact O-N 3.13Å; K1440-Q1444 PolarHBondContact O-N 3.34Å |
| 1441 | S | 81.8 | Confident | 83.6 | Confident | 85 Ų | 85 | 81.6 Ų | 81.6 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.2 | -37.2 | 177.4 | -165.7 | 0 | 0 | 0 | 0 | 112.5 | D1437 E1438 K1445 | D1437-S1441 PolarHBondContact O-N 3.42Å; E1438-S1441 PolarHBondContact O-N 3.34Å; S1441-K1445 WeakPolarHBondContact O-CB 3.26Å; S1441-K1445 PolarHBondContact O-N 3.1Å |
| 1442 | E | 83.3 | Confident | 83.5 | Confident | 62 Ų | 62 | 82.3 Ų | 82.3 | 29% | 0.29 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.8 | -35.5 | 175 | 175.5 | 60.8 | -163.2 | 0 | 0 | 111.7 | E1438 Q1446 K1580 | E1438-E1442 WeakPolarHBondContact O-CB 3.09Å; E1438-E1442 PolarHBondContact O-N 3.17Å; E1442-Q1446 WeakPolarHBondContact O-CG 3.1Å; E1442-Q1446 PolarHBondContact O-N 3.44Å; E1442-Q1446 PolarHBondContact OE1-NE2 3.26Å; E1442-K1580 IonicContact OE1-NZ 2.73Å; E1442-K1580 PolarHBondContact OE1-NZ 3.39Å |
| 1443 | A | 79.8 | Confident | 83.3 | Confident | 53 Ų | 53 | 84 Ų | 84 | 44% | 0.438 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1439 K1440 Q1446 S1447 | A1439-A1443 VanDerWaalsContact O-CB 3.22Å; A1439-A1443 WeakPolarHBondContact O-CB 3.28Å; A1439-A1443 PolarHBondContact O-N 3.36Å; K1440-A1443 PolarHBondContact O-N 3.13Å; A1443-Q1446 PolarHBondContact O-N 3.13Å; A1443-S1447 PolarHBondContact O-N 2.94Å |
| 1444 | Q | 86.2 | Confident | 82.9 | Confident | 108 Ų | 108 | 84.1 Ų | 84.1 | 51% | 0.505 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.8 | -51 | 172.2 | -177.4 | 63.5 | 55.8 | 0 | 0 | 110.6 | K1440 Q1446 S1447 D1448 | K1440-Q1444 PolarHBondContact O-N 3.34Å; Q1444-Q1446 VanDerWaalsContact C-N 3.27Å; Q1444-Q1446 PolarHBondContact O-N 3.42Å; Q1444-S1447 CarbonylContact O-C 3.58Å; Q1444-S1447 WeakPolarHBondContact O-CA 3.33Å; Q1444-S1447 VanDerWaalsContact O-CB 3.25Å; Q1444-S1447 WeakPolarHBondContact O-CB 3.32Å; Q1444-S1447 PolarHBondContact O-N 3.13Å; Q1444-D1448 PolarHBondContact NE2-OD1 2.84Å; Q1444-D1448 PolarHBondContact O-N 2.78Å |
| 1445 | K | 87.5 | Confident | 82.6 | Confident | 102 Ų | 102 | 86.9 Ų | 86.9 | 44% | 0.443 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.9 | -40.1 | 178.9 | -178.7 | 174.2 | 173.8 | -67.7 | 0 | 112.5 | S1441 D1448 E1449 | S1441-K1445 WeakPolarHBondContact O-CB 3.26Å; S1441-K1445 PolarHBondContact O-N 3.1Å; K1445-D1448 PolarHBondContact O-N 3.21Å; K1445-E1449 IonicContact NZ-OE1 3.75Å; K1445-E1449 PolarHBondContact NZ-OE1 3.33Å; K1445-E1449 IonicContact NZ-OE2 3.47Å; K1445-E1449 WeakPolarHBondContact O-CB 3.05Å; K1445-E1449 WeakPolarHBondContact O-CG 3.19Å; K1445-E1449 PolarHBondContact O-N 2.92Å |
| 1446 | Q | 81.6 | Confident | 82.4 | Confident | 30 Ų | 30 | 86.2 Ų | 86.2 | 14% | 0.14 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -70.1 | -31.9 | 173.6 | -75.6 | 176.2 | 60.5 | 0 | 0 | 113.1 | E1442 A1443 Q1444 D1448 L1450 K1580 | E1442-Q1446 WeakPolarHBondContact O-CG 3.1Å; E1442-Q1446 PolarHBondContact O-N 3.44Å; E1442-Q1446 PolarHBondContact OE1-NE2 3.26Å; A1443-Q1446 PolarHBondContact O-N 3.13Å; Q1444-Q1446 VanDerWaalsContact C-N 3.27Å; Q1444-Q1446 PolarHBondContact O-N 3.42Å; Q1446-D1448 VanDerWaalsContact C-N 3.33Å; Q1446-L1450 WeakPolarHBondContact O-CB 3.32Å; Q1446-L1450 PolarHBondContact O-N 2.93Å; Q1446-K1580 VanDerWaalsContact OE1-CE 3.25Å |
| 1447 | S | 81 | Confident | 82 | Confident | 71 Ų | 71 | 87.6 Ų | 87.6 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 170.9 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | A1443 Q1444 A1451 | A1443-S1447 PolarHBondContact O-N 2.94Å; Q1444-S1447 CarbonylContact O-C 3.58Å; Q1444-S1447 WeakPolarHBondContact O-CA 3.33Å; Q1444-S1447 VanDerWaalsContact O-CB 3.25Å; Q1444-S1447 WeakPolarHBondContact O-CB 3.32Å; Q1444-S1447 PolarHBondContact O-N 3.13Å; S1447-A1451 WeakPolarHBondContact O-CB 3.17Å; S1447-A1451 PolarHBondContact O-N 3.16Å |
| 1448 | D | 81.3 | Confident | 81.5 | Confident | 89 Ų | 89 | 86.7 Ų | 86.7 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.6 | -42.5 | 178.1 | -52.8 | -29.2 | 0 | 0 | 0 | 110.9 | Q1444 K1445 Q1446 A1451 L1452 | Q1444-D1448 PolarHBondContact NE2-OD1 2.84Å; Q1444-D1448 PolarHBondContact O-N 2.78Å; K1445-D1448 PolarHBondContact O-N 3.21Å; Q1446-D1448 VanDerWaalsContact C-N 3.33Å; D1448-A1451 PolarHBondContact O-N 2.74Å; D1448-L1452 PolarHBondContact O-N 2.9Å |
| 1449 | E | 82.7 | Confident | 81 | Confident | 88 Ų | 88 | 84 Ų | 84 | 41% | 0.411 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 173.7 | -74.6 | 169.5 | 178 | 0 | 0 | 112.3 | K1445 L1452 V1453 | K1445-E1449 IonicContact NZ-OE1 3.75Å; K1445-E1449 PolarHBondContact NZ-OE1 3.33Å; K1445-E1449 IonicContact NZ-OE2 3.47Å; K1445-E1449 WeakPolarHBondContact O-CB 3.05Å; K1445-E1449 WeakPolarHBondContact O-CG 3.19Å; K1445-E1449 PolarHBondContact O-N 2.92Å; E1449-L1452 WeakPolarHBondContact O-CB 2.97Å; E1449-L1452 PolarHBondContact O-N 2.94Å; E1449-V1453 WeakPolarHBondContact O-CG2 3.41Å; E1449-V1453 PolarHBondContact O-N 3.31Å |
| 1450 | L | 80.8 | Confident | 80.4 | Confident | 66 Ų | 66 | 88.2 Ų | 88.2 | 35% | 0.346 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.9 | -31.5 | 179.4 | -160.7 | 156.3 | 0 | 0 | 0 | 111.4 | Q1446 V1453 R1454 | Q1446-L1450 WeakPolarHBondContact O-CB 3.32Å; Q1446-L1450 PolarHBondContact O-N 2.93Å; L1450-V1453 PolarHBondContact O-N 3.34Å; L1450-R1454 HydrophobicContact CD2-CG 4.14Å; L1450-R1454 WeakPolarHBondContact O-CB 3.28Å; L1450-R1454 WeakPolarHBondContact O-CG 3.25Å; L1450-R1454 PolarHBondContact O-N 3.07Å |
| 1451 | A | 79.6 | Confident | 79.7 | Confident | 56 Ų | 56 | 86.6 Ų | 86.6 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1447 D1448 R1454 Q1455 | S1447-A1451 WeakPolarHBondContact O-CB 3.17Å; S1447-A1451 PolarHBondContact O-N 3.16Å; D1448-A1451 PolarHBondContact O-N 2.74Å; A1451-R1454 PolarHBondContact O-N 3.28Å; A1451-Q1455 PolarHBondContact O-N 2.93Å |
| 1452 | L | 85.7 | Confident | 78.9 | Confident | 103 Ų | 103 | 84.7 Ų | 84.7 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175 | -173.1 | 67.5 | 0 | 0 | 0 | 112 | D1448 E1449 Q1455 Q1456 | D1448-L1452 PolarHBondContact O-N 2.9Å; E1449-L1452 WeakPolarHBondContact O-CB 2.97Å; E1449-L1452 PolarHBondContact O-N 2.94Å; L1452-Q1455 PolarHBondContact O-N 2.73Å; L1452-Q1456 WeakPolarHBondContact O-CG 3.22Å; L1452-Q1456 PolarHBondContact O-N 3.2Å |
| 1453 | V | 79.9 | Confident | 78 | Confident | 74 Ų | 74 | 88.3 Ų | 88.3 | 45% | 0.448 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | E1449 L1450 Q1455 Q1456 L1457 | E1449-V1453 WeakPolarHBondContact O-CG2 3.41Å; E1449-V1453 PolarHBondContact O-N 3.31Å; L1450-V1453 PolarHBondContact O-N 3.34Å; V1453-Q1455 VanDerWaalsContact C-N 3.32Å; V1453-Q1455 PolarHBondContact O-N 3.33Å; V1453-Q1456 PolarHBondContact O-N 3.2Å; V1453-L1457 HydrophobicContact CG1-CD1 4.03Å; V1453-L1457 HydrophobicContact CG1-CG 4.46Å; V1453-L1457 WeakPolarHBondContact O-CB 3.28Å; V1453-L1457 WeakPolarHBondContact O-CG 3.28Å; V1453-L1457 PolarHBondContact O-N 3.16Å |
| 1454 | R | 77.9 | Confident | 77.2 | Confident | 116 Ų | 116 | 90.8 Ų | 90.8 | 44% | 0.438 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 172.6 | -79.8 | 176.2 | 171.7 | -164.3 | -3.9 | 111.9 | L1450 A1451 S1458 | L1450-R1454 HydrophobicContact CD2-CG 4.14Å; L1450-R1454 WeakPolarHBondContact O-CB 3.28Å; L1450-R1454 WeakPolarHBondContact O-CG 3.25Å; L1450-R1454 PolarHBondContact O-N 3.07Å; A1451-R1454 PolarHBondContact O-N 3.28Å; R1454-S1458 PolarHBondContact O-N 2.82Å |
| 1455 | Q | 81.5 | Confident | 75.7 | Confident | 120 Ų | 120 | 91.2 Ų | 91.2 | 56% | 0.561 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.9 | -49.8 | 174.4 | -178.4 | 143.4 | 20.6 | 0 | 0 | 111.5 | A1451 L1452 V1453 L1457 S1458 D1459 | A1451-Q1455 PolarHBondContact O-N 2.93Å; L1452-Q1455 PolarHBondContact O-N 2.73Å; V1453-Q1455 VanDerWaalsContact C-N 3.32Å; V1453-Q1455 PolarHBondContact O-N 3.33Å; Q1455-L1457 VanDerWaalsContact C-N 3.27Å; Q1455-L1457 PolarHBondContact O-N 3.44Å; Q1455-S1458 CarbonylContact O-C 2.96Å; Q1455-S1458 WeakPolarHBondContact O-CA 3.23Å; Q1455-S1458 VanDerWaalsContact O-CB 3.3Å; Q1455-S1458 WeakPolarHBondContact O-CB 2.98Å; Q1455-S1458 PolarHBondContact O-N 3.5Å; Q1455-D1459 WeakPolarHBondContact CG-OD2 3.26Å; Q1455-D1459 PolarHBondContact O-N 2.87Å |
| 1456 | Q | 81.3 | Confident | 73.9 | Confident | 109 Ų | 109 | 91.3 Ų | 91.3 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.7 | -36.7 | 177.6 | -72.1 | -179.1 | -32.3 | 0 | 0 | 113.3 | L1452 V1453 M1460 | L1452-Q1456 WeakPolarHBondContact O-CG 3.22Å; L1452-Q1456 PolarHBondContact O-N 3.2Å; V1453-Q1456 PolarHBondContact O-N 3.2Å; Q1456-M1460 WeakPolarHBondContact O-CB 3.17Å; Q1456-M1460 PolarHBondContact O-N 3.28Å |
| 1457 | L | 76.6 | Confident | 72.1 | Confident | 100 Ų | 100 | 93 Ų | 93 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.3 | -35.4 | 173.5 | -73.6 | 169.8 | 0 | 0 | 0 | 112.5 | V1453 Q1455 R1461 | V1453-L1457 HydrophobicContact CG1-CD1 4.03Å; V1453-L1457 HydrophobicContact CG1-CG 4.46Å; V1453-L1457 WeakPolarHBondContact O-CB 3.28Å; V1453-L1457 WeakPolarHBondContact O-CG 3.28Å; V1453-L1457 PolarHBondContact O-N 3.16Å; Q1455-L1457 VanDerWaalsContact C-N 3.27Å; Q1455-L1457 PolarHBondContact O-N 3.44Å; L1457-R1461 VanDerWaalsContact O-CB 3.25Å; L1457-R1461 WeakPolarHBondContact O-CB 3.43Å; L1457-R1461 PolarHBondContact O-N 3.49Å |
| 1458 | S | 72.9 | Confident | 70 | Confident | 74 Ų | 74 | 96.8 Ų | 96.8 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 173.1 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | R1454 Q1455 R1461 S1462 | R1454-S1458 PolarHBondContact O-N 2.82Å; Q1455-S1458 CarbonylContact O-C 2.96Å; Q1455-S1458 WeakPolarHBondContact O-CA 3.23Å; Q1455-S1458 VanDerWaalsContact O-CB 3.3Å; Q1455-S1458 WeakPolarHBondContact O-CB 2.98Å; Q1455-S1458 PolarHBondContact O-N 3.5Å; S1458-R1461 WeakPolarHBondContact O-CB 3.02Å; S1458-R1461 PolarHBondContact O-N 3.48Å; S1458-S1462 PolarHBondContact O-N 2.84Å |
| 1459 | D | 73.9 | Confident | 68 | Low | 73 Ų | 73 | 99 Ų | 99 | 39% | 0.39 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 177.9 | -55.5 | -28.5 | 0 | 0 | 0 | 110.3 | Q1455 R1461 S1462 H1463 | Q1455-D1459 WeakPolarHBondContact CG-OD2 3.26Å; Q1455-D1459 PolarHBondContact O-N 2.87Å; D1459-R1461 VanDerWaalsContact C-N 3.34Å; D1459-R1461 PolarHBondContact O-N 3.45Å; D1459-S1462 WeakPolarHBondContact O-CB 3.46Å; D1459-S1462 PolarHBondContact O-N 3.21Å; D1459-H1463 PolarHBondContact O-N 3.4Å |
| 1460 | M | 70.2 | Confident | 65.9 | Low | 122 Ų | 122 | 99.5 Ų | 99.5 | 60% | 0.601 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.1 | -37.4 | 173.7 | -154.3 | 76.4 | 65.6 | 0 | 0 | 112.4 | Q1456 H1463 V1464 | Q1456-M1460 WeakPolarHBondContact O-CB 3.17Å; Q1456-M1460 PolarHBondContact O-N 3.28Å; M1460-H1463 PolarHBondContact O-N 2.9Å; M1460-V1464 WeakPolarHBondContact O-CG2 2.97Å; M1460-V1464 PolarHBondContact O-N 2.97Å; M1460-V1464 VanDerWaalsContact O-N 3.11Å |
| 1461 | R | 68.4 | Low | 63.6 | Low | 117 Ų | 117 | 99.9 Ų | 99.9 | 44% | 0.442 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.4 | -40.7 | 175.6 | -174.7 | -170.7 | 171.7 | -59.9 | -18.7 | 111.2 | L1457 S1458 D1459 V1464 E1465 | L1457-R1461 VanDerWaalsContact O-CB 3.25Å; L1457-R1461 WeakPolarHBondContact O-CB 3.43Å; L1457-R1461 PolarHBondContact O-N 3.49Å; S1458-R1461 WeakPolarHBondContact O-CB 3.02Å; S1458-R1461 PolarHBondContact O-N 3.48Å; D1459-R1461 VanDerWaalsContact C-N 3.34Å; D1459-R1461 PolarHBondContact O-N 3.45Å; R1461-V1464 PolarHBondContact O-N 2.57Å; R1461-E1465 IonicContact CZ-OE1 2.65Å; R1461-E1465 IonicContact CZ-OE2 3.49Å; R1461-E1465 VanDerWaalsContact NH1-CD 3.34Å; R1461-E1465 IonicContact NH1-OE1 3.37Å; R1461-E1465 IonicContact NH1-OE2 2.83Å; R1461-E1465 PolarHBondContact NH1-OE2 3.09Å; R1461-E1465 VanDerWaalsContact NH2-CD 3.31Å; R1461-E1465 IonicContact NH2-OE1 3.89Å; R1461-E1465 PolarHBondContact NH2-OE1 3.45Å; R1461-E1465 IonicContact NH2-OE2 3.39Å; R1461-E1465 PolarHBondContact NH2-OE2 3.39Å; R1461-E1465 PolarHBondContact O-N 3.21Å; R1461-E1465 VanDerWaalsContact O-N 3.1Å |
| 1462 | S | 65.6 | Low | 61.3 | Low | 46 Ų | 46 | 103.1 Ų | 103.1 | 32% | 0.322 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -57.8 | -55 | 169.3 | 142.4 | 0 | 0 | 0 | 0 | 110.2 | S1458 D1459 V1464 E1465 D1466 | S1458-S1462 PolarHBondContact O-N 2.84Å; D1459-S1462 WeakPolarHBondContact O-CB 3.46Å; D1459-S1462 PolarHBondContact O-N 3.21Å; S1462-V1464 PolarHBondContact O-N 3.48Å; S1462-E1465 CarbonylContact O-C 3.33Å; S1462-E1465 PolarHBondContact O-N 3.43Å; S1462-D1466 VanDerWaalsContact C-OD2 3.27Å; S1462-D1466 WeakPolarHBondContact O-CB 3.41Å; S1462-D1466 PolarHBondContact O-N 3.2Å; S1462-D1466 PolarHBondContact OG-OD2 3.24Å |
| 1463 | H | 63.4 | Low | 58.7 | Low | 137 Ų | 137 | 104.4 Ų | 104.4 | 63% | 0.634 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.1 | -18.4 | -179.3 | -71.6 | -30 | 0 | 0 | 0 | 115.6 | D1459 M1460 | D1459-H1463 PolarHBondContact O-N 3.4Å; M1460-H1463 PolarHBondContact O-N 2.9Å |
| 1464 | V | 62.5 | Low | 56.4 | Low | 105 Ų | 105 | 105.4 Ų | 105.4 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -89.7 | -29.3 | 172.3 | 174 | 0 | 0 | 0 | 0 | 112.8 | M1460 R1461 S1462 | M1460-V1464 WeakPolarHBondContact O-CG2 2.97Å; M1460-V1464 PolarHBondContact O-N 2.97Å; M1460-V1464 VanDerWaalsContact O-N 3.11Å; R1461-V1464 PolarHBondContact O-N 2.57Å; S1462-V1464 PolarHBondContact O-N 3.48Å |
| 1465 | E | 54.7 | Low | 54.2 | Low | 117 Ų | 117 | 106.6 Ų | 106.6 | 55% | 0.547 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -80.9 | -32.7 | 171.1 | -73.5 | -173.1 | 154.5 | 0 | 0 | 112.7 | R1461 S1462 G1467 | R1461-E1465 IonicContact CZ-OE1 2.65Å; R1461-E1465 IonicContact CZ-OE2 3.49Å; R1461-E1465 VanDerWaalsContact NH1-CD 3.34Å; R1461-E1465 IonicContact NH1-OE1 3.37Å; R1461-E1465 IonicContact NH1-OE2 2.83Å; R1461-E1465 PolarHBondContact NH1-OE2 3.09Å; R1461-E1465 VanDerWaalsContact NH2-CD 3.31Å; R1461-E1465 IonicContact NH2-OE1 3.89Å; R1461-E1465 PolarHBondContact NH2-OE1 3.45Å; R1461-E1465 IonicContact NH2-OE2 3.39Å; R1461-E1465 PolarHBondContact NH2-OE2 3.39Å; R1461-E1465 PolarHBondContact O-N 3.21Å; R1461-E1465 VanDerWaalsContact O-N 3.1Å; S1462-E1465 CarbonylContact O-C 3.33Å; S1462-E1465 PolarHBondContact O-N 3.43Å; E1465-G1467 PolarHBondContact O-N 3.44Å |
| 1466 | D | 49.7 | Very low | 52.1 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 56% | 0.556 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -75.7 | 1.5 | 175 | -64.9 | -50.2 | 0 | 0 | 0 | 112.8 | S1462 D1468 | S1462-D1466 VanDerWaalsContact C-OD2 3.27Å; S1462-D1466 WeakPolarHBondContact O-CB 3.41Å; S1462-D1466 PolarHBondContact O-N 3.2Å; S1462-D1466 PolarHBondContact OG-OD2 3.24Å; D1466-D1468 PolarHBondContact O-N 3.49Å |
| 1467 | G | 43.8 | Very low | 49.9 | Very low | 67 Ų | 67 | 106.6 Ų | 106.6 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | trans | -72.4 | 25.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | E1465 | E1465-G1467 PolarHBondContact O-N 3.44Š| ||
| 1468 | D | 37.2 | Very low | 48.2 | Very low | 149 Ų | 149 | 106.5 Ų | 106.5 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | trans | -119.6 | 54.9 | -172.7 | -157.4 | 1.4 | 0 | 0 | 0 | 111.7 | D1466 | D1466-D1468 PolarHBondContact O-N 3.49Š| ||
| 1469 | V | 39.4 | Very low | 46.7 | Very low | 137 Ų | 137 | 111.7 Ų | 111.7 | 83% | 0.83 | 69% | 0.691 | S | S | * | * | trans | -114.4 | 96.5 | 175 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1470 | A | 38 | Very low | 45.1 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | -47.1 | 145.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1471 | G | 33.2 | Very low | 43.9 | Very low | 73 Ų | 73 | 115.8 Ų | 115.8 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | trans | -173.2 | -15.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1472 | S | 32.3 | Very low | 43.1 | Very low | 124 Ų | 124 | 115.1 Ų | 115.1 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | trans | -174.4 | 130.6 | 168.1 | -87.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1473 | P | 31 | Very low | 42.8 | Very low | 131 Ų | 131 | 119 Ų | 119 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -107 | 117.8 | 177.3 | 35.5 | -27.8 | 0 | 0 | 0 | 114.1 | ||||
| 1474 | A | 31.3 | Very low | 42.8 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | trans | -169.9 | 143.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1475 | V | 31.9 | Very low | 42.8 | Very low | 142 Ų | 142 | 120.6 Ų | 120.6 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | 73.9 | 141 | 167.2 | -170.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1476 | P | 35.9 | Very low | 43.4 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | trans | -124 | -156.1 | -160.3 | 41.1 | -20.7 | 0 | 0 | 0 | 113.2 | ||||
| 1477 | P | 37.1 | Very low | 44.2 | Very low | 113 Ų | 113 | 118.8 Ų | 118.8 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | -108.1 | 152.4 | -91 | 36.7 | -24 | 0 | 0 | 0 | 113.3 | |||||
| 1478 | A | 40 | Very low | 45.4 | Very low | 99 Ų | 99 | 122 Ų | 122 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -132.1 | 95.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q1480 | A1478-Q1480 PolarHBondContact O-N 2.88Å; A1478-Q1480 VanDerWaalsContact O-N 3.07Å | ||
| 1479 | E | 40.3 | Very low | 47 | Very low | 183 Ų | 183 | 118.5 Ų | 118.5 | 86% | 0.855 | 71% | 0.705 | S | S | * | * | trans | -72.6 | 98.5 | -174 | -64.3 | 174.2 | 145.2 | 0 | 0 | 111.8 | ||||
| 1480 | Q | 41.2 | Very low | 48.6 | Very low | 189 Ų | 189 | 116.7 Ų | 116.7 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | trans | -113.6 | 95.7 | 155.8 | -67.6 | -161.2 | 16.6 | 0 | 0 | 108.9 | A1478 P1482 | A1478-Q1480 PolarHBondContact O-N 2.88Å; A1478-Q1480 VanDerWaalsContact O-N 3.07Å; Q1480-P1482 WeakPolarHBondContact O-CD 3.25Å | ||
| 1481 | D | 44.2 | Very low | 50.3 | Low | 91 Ų | 91 | 120.4 Ų | 120.4 | 49% | 0.487 | 68% | 0.68 | S | S | . | * | trans | -47.6 | 115.1 | -173.9 | -87.3 | -56.2 | 0 | 0 | 0 | 114.4 | M1483 K1484 | D1481-M1483 HydrophobicContact CB-CB 4.27Å; D1481-M1483 PolarHBondContact O-N 2.81Å; D1481-K1484 HydrophobicContact CB-CB 4.44Å; D1481-K1484 HydrophobicContact CB-CG 4.43Å; D1481-K1484 PolarHBondContact O-N 3.33Å | ||
| 1482 | P | 53.4 | Low | 52 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -62.3 | -21.7 | 166.4 | 25.8 | -33.2 | 0 | 0 | 0 | 111.7 | Q1480 K1484 L1485 K1486 | Q1480-P1482 WeakPolarHBondContact O-CD 3.25Å; P1482-K1484 VanDerWaalsContact C-N 3.29Å; P1482-K1484 PolarHBondContact O-N 2.88Å; P1482-L1485 WeakPolarHBondContact O-CB 3.35Å; P1482-L1485 PolarHBondContact O-N 2.95Å; P1482-L1485 VanDerWaalsContact O-N 3.15Å; P1482-K1486 PolarHBondContact O-N 3.2Å |
| 1483 | M | 58.9 | Low | 53.9 | Low | 126 Ų | 126 | 120.1 Ų | 120.1 | 62% | 0.621 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -56.3 | -38.4 | 170.5 | -72.8 | -71.4 | -78.7 | 0 | 0 | 112.8 | D1481 K1486 T1487 | D1481-M1483 HydrophobicContact CB-CB 4.27Å; D1481-M1483 PolarHBondContact O-N 2.81Å; M1483-K1486 PolarHBondContact O-N 2.95Å; M1483-T1487 PolarHBondContact O-N 2.95Å; M1483-T1487 PolarHBondContact O-OG1 3.22Å |
| 1484 | K | 62 | Low | 56 | Low | 157 Ų | 157 | 116.9 Ų | 116.9 | 68% | 0.683 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.6 | -42.6 | 175.4 | -89.1 | 174.5 | 178.6 | 155.8 | 0 | 111.6 | D1481 P1482 K1486 Q1488 | D1481-K1484 HydrophobicContact CB-CB 4.44Å; D1481-K1484 HydrophobicContact CB-CG 4.43Å; D1481-K1484 PolarHBondContact O-N 3.33Å; P1482-K1484 VanDerWaalsContact C-N 3.29Å; P1482-K1484 PolarHBondContact O-N 2.88Å; K1484-K1486 VanDerWaalsContact C-N 3.35Å; K1484-Q1488 VanDerWaalsContact O-CB 3.29Å; K1484-Q1488 WeakPolarHBondContact O-CB 2.8Å; K1484-Q1488 PolarHBondContact O-N 3.48Å |
| 1485 | L | 63 | Low | 58.1 | Low | 119 Ų | 119 | 116.8 Ų | 116.8 | 62% | 0.623 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.4 | -46.6 | 176.9 | -129 | 86.1 | 0 | 0 | 0 | 110.6 | P1482 Q1488 L1489 | P1482-L1485 WeakPolarHBondContact O-CB 3.35Å; P1482-L1485 PolarHBondContact O-N 2.95Å; P1482-L1485 VanDerWaalsContact O-N 3.15Å; L1485-Q1488 WeakPolarHBondContact O-CB 3.27Å; L1485-Q1488 PolarHBondContact O-N 3.26Å; L1485-L1489 PolarHBondContact O-N 3.49Å |
| 1486 | K | 67.4 | Low | 60 | Low | 123 Ų | 123 | 113.1 Ų | 113.1 | 54% | 0.535 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.2 | -49.8 | 179.5 | -172.8 | 170.6 | -179.1 | 171.4 | 0 | 112.8 | P1482 M1483 K1484 Q1488 L1489 E1490 | P1482-K1486 PolarHBondContact O-N 3.2Å; M1483-K1486 PolarHBondContact O-N 2.95Å; K1484-K1486 VanDerWaalsContact C-N 3.35Å; K1486-Q1488 PolarHBondContact O-N 2.7Å; K1486-L1489 WeakPolarHBondContact O-CB 2.78Å; K1486-L1489 PolarHBondContact O-N 3.38Å; K1486-L1489 VanDerWaalsContact O-N 3.11Å; K1486-E1490 WeakPolarHBondContact O-CG 3.27Å; K1486-E1490 PolarHBondContact O-N 3.29Å |
| 1487 | T | 67 | Low | 61.9 | Low | 60 Ų | 60 | 114.1 Ų | 114.1 | 37% | 0.368 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.9 | -23.8 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 113 | M1483 R1491 | M1483-T1487 PolarHBondContact O-N 2.95Å; M1483-T1487 PolarHBondContact O-OG1 3.22Å; T1487-R1491 PolarHBondContact O-N 3.37Å |
| 1488 | Q | 68.7 | Low | 63.7 | Low | 136 Ų | 136 | 111.9 Ų | 111.9 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73.3 | -42.1 | 170.6 | -171.7 | 170.2 | 1.2 | 0 | 0 | 111.2 | K1484 L1485 K1486 R1491 T1492 | K1484-Q1488 VanDerWaalsContact O-CB 3.29Å; K1484-Q1488 WeakPolarHBondContact O-CB 2.8Å; K1484-Q1488 PolarHBondContact O-N 3.48Å; L1485-Q1488 WeakPolarHBondContact O-CB 3.27Å; L1485-Q1488 PolarHBondContact O-N 3.26Å; K1486-Q1488 PolarHBondContact O-N 2.7Å; Q1488-R1491 WeakPolarHBondContact O-CB 3.39Å; Q1488-R1491 PolarHBondContact O-N 3.37Å; Q1488-T1492 PolarHBondContact O-N 3.44Å; Q1488-T1492 VanDerWaalsContact O-N 3.12Å; Q1488-T1492 PolarHBondContact O-OG1 3.42Å |
| 1489 | L | 69.9 | Low | 65.2 | Low | 74 Ų | 74 | 109.7 Ų | 109.7 | 39% | 0.387 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.6 | -49.9 | 177 | -152.1 | 80.4 | 0 | 0 | 0 | 111.9 | L1485 K1486 R1491 T1492 E1493 | L1485-L1489 PolarHBondContact O-N 3.49Å; K1486-L1489 WeakPolarHBondContact O-CB 2.78Å; K1486-L1489 PolarHBondContact O-N 3.38Å; K1486-L1489 VanDerWaalsContact O-N 3.11Å; L1489-R1491 VanDerWaalsContact C-N 3.27Å; L1489-R1491 PolarHBondContact O-N 2.83Å; L1489-T1492 WeakPolarHBondContact CA-OG1 3.22Å; L1489-T1492 PolarHBondContact O-N 2.87Å; L1489-T1492 PolarHBondContact O-OG1 2.94Å; L1489-E1493 PolarHBondContact O-N 3.32Å |
| 1490 | E | 74.8 | Confident | 66.8 | Low | 100 Ų | 100 | 104.7 Ų | 104.7 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.2 | -37.4 | 176.8 | -70.6 | 168.9 | 172 | 0 | 0 | 112 | K1486 E1493 A1494 | K1486-E1490 WeakPolarHBondContact O-CG 3.27Å; K1486-E1490 PolarHBondContact O-N 3.29Å; E1490-E1493 PolarHBondContact O-N 3.26Å; E1490-A1494 WeakPolarHBondContact O-CB 3.44Å; E1490-A1494 PolarHBondContact O-N 2.84Å |
| 1491 | R | 71.7 | Confident | 68.5 | Low | 176 Ų | 176 | 100 Ų | 100 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.3 | -37.7 | 174.4 | -99.8 | -174.8 | 174.9 | 77.2 | -0.3 | 112.9 | T1487 Q1488 L1489 T1495 | T1487-R1491 PolarHBondContact O-N 3.37Å; Q1488-R1491 WeakPolarHBondContact O-CB 3.39Å; Q1488-R1491 PolarHBondContact O-N 3.37Å; L1489-R1491 VanDerWaalsContact C-N 3.27Å; L1489-R1491 PolarHBondContact O-N 2.83Å; R1491-T1495 PolarHBondContact O-N 3.15Å; R1491-T1495 PolarHBondContact O-OG1 2.86Å |
| 1492 | T | 69.4 | Low | 70 | Confident | 76 Ų | 76 | 102.9 Ų | 102.9 | 47% | 0.466 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.4 | -37.2 | 174.6 | 35 | 0 | 0 | 0 | 0 | 112.4 | Q1488 L1489 T1495 L1496 | Q1488-T1492 PolarHBondContact O-N 3.44Å; Q1488-T1492 VanDerWaalsContact O-N 3.12Å; Q1488-T1492 PolarHBondContact O-OG1 3.42Å; L1489-T1492 WeakPolarHBondContact CA-OG1 3.22Å; L1489-T1492 PolarHBondContact O-N 2.87Å; L1489-T1492 PolarHBondContact O-OG1 2.94Å; T1492-T1495 WeakPolarHBondContact CA-OG1 2.96Å; T1492-T1495 PolarHBondContact O-N 2.99Å; T1492-T1495 PolarHBondContact O-OG1 3.12Å; T1492-L1496 PolarHBondContact O-N 2.99Å |
| 1493 | E | 72.1 | Confident | 70.8 | Confident | 115 Ų | 115 | 102.8 Ų | 102.8 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 174.1 | -71.7 | -172.9 | 120.5 | 0 | 0 | 112.2 | L1489 E1490 T1495 L1496 E1497 | L1489-E1493 PolarHBondContact O-N 3.32Å; E1490-E1493 PolarHBondContact O-N 3.26Å; E1493-T1495 VanDerWaalsContact C-N 3.26Å; E1493-T1495 PolarHBondContact O-N 3.49Å; E1493-L1496 WeakPolarHBondContact O-CA 3.16Å; E1493-L1496 WeakPolarHBondContact O-CB 2.96Å; E1493-L1496 PolarHBondContact O-N 3.46Å; E1493-E1497 PolarHBondContact O-N 3.18Å |
| 1494 | A | 75.9 | Confident | 71.8 | Confident | 62 Ų | 62 | 102.8 Ų | 102.8 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -33 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1490 A1498 | E1490-A1494 WeakPolarHBondContact O-CB 3.44Å; E1490-A1494 PolarHBondContact O-N 2.84Å; A1494-A1498 PolarHBondContact O-N 3.29Å |
| 1495 | T | 74.8 | Confident | 72.8 | Confident | 93 Ų | 93 | 102 Ų | 102 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72 | -36.2 | 171.5 | 38 | 0 | 0 | 0 | 0 | 112.1 | R1491 T1492 E1493 A1498 E1499 | R1491-T1495 PolarHBondContact O-N 3.15Å; R1491-T1495 PolarHBondContact O-OG1 2.86Å; T1492-T1495 WeakPolarHBondContact CA-OG1 2.96Å; T1492-T1495 PolarHBondContact O-N 2.99Å; T1492-T1495 PolarHBondContact O-OG1 3.12Å; E1493-T1495 VanDerWaalsContact C-N 3.26Å; E1493-T1495 PolarHBondContact O-N 3.49Å; T1495-A1498 PolarHBondContact O-N 3.18Å; T1495-E1499 WeakPolarHBondContact O-CB 3.03Å; T1495-E1499 PolarHBondContact O-N 2.9Å |
| 1496 | L | 71.3 | Confident | 73.4 | Confident | 65 Ų | 65 | 99 Ų | 99 | 34% | 0.34 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.4 | -146.1 | 81.2 | 0 | 0 | 0 | 112.8 | T1492 E1493 E1499 Q1500 | T1492-L1496 PolarHBondContact O-N 2.99Å; E1493-L1496 WeakPolarHBondContact O-CA 3.16Å; E1493-L1496 WeakPolarHBondContact O-CB 2.96Å; E1493-L1496 PolarHBondContact O-N 3.46Å; L1496-E1499 PolarHBondContact O-N 3.41Å; L1496-Q1500 WeakPolarHBondContact O-CB 2.91Å; L1496-Q1500 PolarHBondContact O-N 3.39Å |
| 1497 | E | 75.9 | Confident | 73.8 | Confident | 136 Ų | 136 | 96.9 Ų | 96.9 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.6 | -42.9 | 175.2 | -75.6 | -154.2 | 122.3 | 0 | 0 | 112.8 | E1493 E1499 Q1500 T1501 | E1493-E1497 PolarHBondContact O-N 3.18Å; E1497-E1499 VanDerWaalsContact C-N 3.26Å; E1497-E1499 PolarHBondContact O-N 2.69Å; E1497-Q1500 PolarHBondContact O-N 3.38Å; E1497-T1501 WeakPolarHBondContact O-CB 3.2Å; E1497-T1501 PolarHBondContact O-N 3.3Å; E1497-T1501 PolarHBondContact O-OG1 3.47Å |
| 1498 | A | 75.5 | Confident | 74.3 | Confident | 65 Ų | 65 | 96.6 Ų | 96.6 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1494 T1495 R1502 | A1494-A1498 PolarHBondContact O-N 3.29Å; T1495-A1498 PolarHBondContact O-N 3.18Å; A1498-R1502 PolarHBondContact O-N 2.85Å; A1498-R1502 VanDerWaalsContact O-N 3.15Å |
| 1499 | E | 70.8 | Confident | 74.8 | Confident | 53 Ų | 53 | 94.1 Ų | 94.1 | 25% | 0.248 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -69.3 | -43.8 | 174.5 | -159.7 | -148.1 | 105.6 | 0 | 0 | 112.1 | T1495 L1496 E1497 T1501 R1502 R1503 | T1495-E1499 WeakPolarHBondContact O-CB 3.03Å; T1495-E1499 PolarHBondContact O-N 2.9Å; L1496-E1499 PolarHBondContact O-N 3.41Å; E1497-E1499 VanDerWaalsContact C-N 3.26Å; E1497-E1499 PolarHBondContact O-N 2.69Å; E1499-T1501 VanDerWaalsContact C-N 3.33Å; E1499-T1501 PolarHBondContact O-N 2.89Å; E1499-R1502 WeakPolarHBondContact O-CA 3.33Å; E1499-R1502 VanDerWaalsContact O-CB 3.3Å; E1499-R1502 WeakPolarHBondContact O-CB 3.35Å; E1499-R1502 PolarHBondContact O-N 2.9Å; E1499-R1502 VanDerWaalsContact O-N 3.07Å; E1499-R1503 PolarHBondContact O-N 2.92Å; E1499-R1503 IonicContact OE1-CZ 2.91Å; E1499-R1503 IonicContact OE1-NE 3.44Å; E1499-R1503 PolarHBondContact OE1-NE 2.92Å; E1499-R1503 IonicContact OE1-NH2 2.65Å; E1499-R1503 PolarHBondContact OE1-NH2 3.01Å |
| 1500 | Q | 75.1 | Confident | 75.1 | Confident | 78 Ų | 78 | 94.2 Ų | 94.2 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 175.8 | -173.3 | 170.4 | -78.3 | 0 | 0 | 111.8 | L1496 E1497 R1502 R1503 Q1504 | L1496-Q1500 WeakPolarHBondContact O-CB 2.91Å; L1496-Q1500 PolarHBondContact O-N 3.39Å; E1497-Q1500 PolarHBondContact O-N 3.38Å; Q1500-R1502 VanDerWaalsContact C-N 3.3Å; Q1500-R1502 PolarHBondContact O-N 3.14Å; Q1500-R1503 PolarHBondContact O-N 3.44Å; Q1500-Q1504 WeakPolarHBondContact O-CG 2.89Å; Q1500-Q1504 PolarHBondContact O-N 3.03Å |
| 1501 | T | 77.2 | Confident | 75.4 | Confident | 91 Ų | 91 | 93.8 Ų | 93.8 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.6 | -39.9 | 174 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | E1497 E1499 K1505 | E1497-T1501 WeakPolarHBondContact O-CB 3.2Å; E1497-T1501 PolarHBondContact O-N 3.3Å; E1497-T1501 PolarHBondContact O-OG1 3.47Å; E1499-T1501 VanDerWaalsContact C-N 3.33Å; E1499-T1501 PolarHBondContact O-N 2.89Å; T1501-K1505 PolarHBondContact O-N 3.4Å; T1501-K1505 VanDerWaalsContact O-N 3.16Å |
| 1502 | R | 76.1 | Confident | 75.9 | Confident | 151 Ų | 151 | 91.3 Ų | 91.3 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 174.5 | -168.8 | -176.9 | -168.6 | 147.7 | 11.3 | 112.3 | A1498 E1499 Q1500 K1505 L1506 | A1498-R1502 PolarHBondContact O-N 2.85Å; A1498-R1502 VanDerWaalsContact O-N 3.15Å; E1499-R1502 WeakPolarHBondContact O-CA 3.33Å; E1499-R1502 VanDerWaalsContact O-CB 3.3Å; E1499-R1502 WeakPolarHBondContact O-CB 3.35Å; E1499-R1502 PolarHBondContact O-N 2.9Å; E1499-R1502 VanDerWaalsContact O-N 3.07Å; Q1500-R1502 VanDerWaalsContact C-N 3.3Å; Q1500-R1502 PolarHBondContact O-N 3.14Å; R1502-K1505 PolarHBondContact O-N 3.33Å; R1502-L1506 PolarHBondContact O-N 2.83Å |
| 1503 | R | 69.4 | Low | 76 | Confident | 103 Ų | 103 | 89 Ų | 89 | 39% | 0.389 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 177 | -68.9 | -173.4 | -170.3 | -118.7 | -2.1 | 112.1 | E1499 Q1500 L1506 T1507 E1579 | E1499-R1503 PolarHBondContact O-N 2.92Å; E1499-R1503 IonicContact OE1-CZ 2.91Å; E1499-R1503 IonicContact OE1-NE 3.44Å; E1499-R1503 PolarHBondContact OE1-NE 2.92Å; E1499-R1503 IonicContact OE1-NH2 2.65Å; E1499-R1503 PolarHBondContact OE1-NH2 3.01Å; Q1500-R1503 PolarHBondContact O-N 3.44Å; R1503-L1506 PolarHBondContact O-N 3.41Å; R1503-T1507 PolarHBondContact O-N 2.88Å; R1503-T1507 VanDerWaalsContact O-N 3.08Å; R1503-T1507 PolarHBondContact O-OG1 3.38Å; R1503-E1579 IonicContact CZ-OE2 2.72Å; R1503-E1579 IonicContact NH2-OE1 3.18Å; R1503-E1579 IonicContact NH2-OE2 2.89Å; R1503-E1579 PolarHBondContact NH2-OE2 2.65Å |
| 1504 | Q | 79.3 | Confident | 76.1 | Confident | 126 Ų | 126 | 88.7 Ų | 88.7 | 59% | 0.589 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.4 | -46.5 | 174.7 | -74.4 | -177.7 | -2.7 | 0 | 0 | 111.9 | Q1500 L1506 T1507 A1508 | Q1500-Q1504 WeakPolarHBondContact O-CG 2.89Å; Q1500-Q1504 PolarHBondContact O-N 3.03Å; Q1504-L1506 PolarHBondContact O-N 3.1Å; Q1504-T1507 WeakPolarHBondContact O-CB 3.28Å; Q1504-T1507 PolarHBondContact O-N 2.91Å; Q1504-T1507 VanDerWaalsContact O-N 3.16Å; Q1504-A1508 PolarHBondContact O-N 3.06Å; Q1504-A1508 VanDerWaalsContact O-N 3.07Å |
| 1505 | K | 83.2 | Confident | 76.3 | Confident | 140 Ų | 140 | 93 Ų | 93 | 61% | 0.609 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.2 | -43 | 178.6 | -169.7 | 172.4 | -178.8 | 176.1 | 0 | 112.5 | T1501 R1502 T1507 A1508 E1509 | T1501-K1505 PolarHBondContact O-N 3.4Å; T1501-K1505 VanDerWaalsContact O-N 3.16Å; R1502-K1505 PolarHBondContact O-N 3.33Å; K1505-T1507 VanDerWaalsContact C-N 3.26Å; K1505-T1507 PolarHBondContact O-N 3.34Å; K1505-A1508 PolarHBondContact O-N 3.09Å; K1505-E1509 PolarHBondContact O-N 3.37Å; K1505-E1509 VanDerWaalsContact O-N 3.11Å |
| 1506 | L | 75.8 | Confident | 76.5 | Confident | 55 Ų | 55 | 91.9 Ų | 91.9 | 29% | 0.288 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.3 | -33.1 | 177.1 | -148.3 | 74.3 | 0 | 0 | 0 | 112.5 | R1502 R1503 Q1504 F1510 T1572 | R1502-L1506 PolarHBondContact O-N 2.83Å; R1503-L1506 PolarHBondContact O-N 3.41Å; Q1504-L1506 PolarHBondContact O-N 3.1Å; L1506-F1510 PolarHBondContact O-N 3.42Å; L1506-F1510 VanDerWaalsContact O-N 3.1Å; L1506-T1572 HydrophobicContact CD2-CG2 4.02Å; L1506-T1572 WeakPolarHBondContact CD2-OG1 3.37Å |
| 1507 | T | 75.5 | Confident | 76.4 | Confident | 79 Ų | 79 | 89.9 Ų | 89.9 | 49% | 0.485 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | R1503 Q1504 K1505 F1510 E1511 | R1503-T1507 PolarHBondContact O-N 2.88Å; R1503-T1507 VanDerWaalsContact O-N 3.08Å; R1503-T1507 PolarHBondContact O-OG1 3.38Å; Q1504-T1507 WeakPolarHBondContact O-CB 3.28Å; Q1504-T1507 PolarHBondContact O-N 2.91Å; Q1504-T1507 VanDerWaalsContact O-N 3.16Å; K1505-T1507 VanDerWaalsContact C-N 3.26Å; K1505-T1507 PolarHBondContact O-N 3.34Å; T1507-F1510 PolarHBondContact O-N 2.86Å; T1507-E1511 PolarHBondContact O-N 3.3Å |
| 1508 | A | 77.5 | Confident | 76.3 | Confident | 55 Ų | 55 | 86.7 Ų | 86.7 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1504 K1505 F1510 E1511 E1512 | Q1504-A1508 PolarHBondContact O-N 3.06Å; Q1504-A1508 VanDerWaalsContact O-N 3.07Å; K1505-A1508 PolarHBondContact O-N 3.09Å; A1508-F1510 VanDerWaalsContact C-N 3.31Å; A1508-F1510 PolarHBondContact O-N 3.34Å; A1508-E1511 PolarHBondContact O-N 3.43Å; A1508-E1512 PolarHBondContact O-N 2.84Å |
| 1509 | E | 80.4 | Confident | 76.5 | Confident | 84 Ų | 84 | 92.6 Ų | 92.6 | 39% | 0.393 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 175 | -70.4 | 173.1 | -163.5 | 0 | 0 | 111.8 | K1505 A1513 | K1505-E1509 PolarHBondContact O-N 3.37Å; K1505-E1509 VanDerWaalsContact O-N 3.11Å; E1509-A1513 PolarHBondContact O-N 3.38Å |
| 1510 | F | 76 | Confident | 76.6 | Confident | 75 Ų | 75 | 91.4 Ų | 91.4 | 33% | 0.329 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 174.7 | -176.5 | -91 | 0 | 0 | 0 | 112.7 | L1506 T1507 A1508 E1512 A1513 Q1514 L1565 L1569 | L1506-F1510 PolarHBondContact O-N 3.42Å; L1506-F1510 VanDerWaalsContact O-N 3.1Å; T1507-F1510 PolarHBondContact O-N 2.86Å; A1508-F1510 VanDerWaalsContact C-N 3.31Å; A1508-F1510 PolarHBondContact O-N 3.34Å; F1510-E1512 PolarHBondContact O-N 2.84Å; F1510-A1513 PolarHBondContact O-N 2.99Å; F1510-Q1514 PolarHBondContact O-N 3.29Å; F1510-L1565 HydrophobicContact CD2-CD2 3.82Å; F1510-L1565 HydrophobicContact CE2-CD2 3.79Å; F1510-L1569 HydrophobicContact CE2-CD2 4.4Å |
| 1511 | E | 79.7 | Confident | 76.4 | Confident | 91 Ų | 91 | 93.2 Ų | 93.2 | 43% | 0.425 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 175.2 | -76.5 | -166.9 | -167.5 | 0 | 0 | 112.5 | T1507 A1508 Q1514 R1515 | T1507-E1511 PolarHBondContact O-N 3.3Å; A1508-E1511 PolarHBondContact O-N 3.43Å; E1511-Q1514 PolarHBondContact O-N 3.27Å; E1511-R1515 VanDerWaalsContact O-CG 3.31Å; E1511-R1515 WeakPolarHBondContact O-CG 3.39Å; E1511-R1515 PolarHBondContact O-N 2.73Å; E1511-R1515 IonicContact OE2-CZ 3.61Å; E1511-R1515 IonicContact OE2-NE 2.67Å; E1511-R1515 IonicContact OE2-NH2 3.09Å; E1511-R1515 PolarHBondContact OE2-NH2 3.36Å |
| 1512 | E | 82.7 | Confident | 76.4 | Confident | 125 Ų | 125 | 94.1 Ų | 94.1 | 58% | 0.584 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 178.2 | -172.3 | 179.2 | 167.2 | 0 | 0 | 111.4 | A1508 F1510 Q1514 R1515 T1516 | A1508-E1512 PolarHBondContact O-N 2.84Å; F1510-E1512 PolarHBondContact O-N 2.84Å; E1512-Q1514 VanDerWaalsContact C-N 3.34Å; E1512-Q1514 PolarHBondContact O-N 2.96Å; E1512-R1515 PolarHBondContact O-N 2.99Å; E1512-T1516 WeakPolarHBondContact O-CB 3.27Å; E1512-T1516 PolarHBondContact O-N 2.96Å; E1512-T1516 PolarHBondContact O-OG1 2.9Å |
| 1513 | A | 72.1 | Confident | 76.3 | Confident | 27 Ų | 27 | 91.6 Ų | 91.6 | 22% | 0.223 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1509 F1510 T1516 A1517 L1565 | E1509-A1513 PolarHBondContact O-N 3.38Å; F1510-A1513 PolarHBondContact O-N 2.99Å; A1513-T1516 PolarHBondContact O-N 3.08Å; A1513-A1517 PolarHBondContact O-N 3.24Å; A1513-L1565 HydrophobicContact CB-CD1 4.36Å; A1513-L1565 HydrophobicContact CB-CD2 3.7Å; A1513-L1565 HydrophobicContact CB-CG 3.99Å |
| 1514 | Q | 74.3 | Confident | 76.1 | Confident | 109 Ų | 109 | 87.6 Ų | 87.6 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 176.4 | -168.8 | 177.7 | 24.3 | 0 | 0 | 112.3 | F1510 E1511 E1512 T1516 A1517 C1518 | F1510-Q1514 PolarHBondContact O-N 3.29Å; E1511-Q1514 PolarHBondContact O-N 3.27Å; E1512-Q1514 VanDerWaalsContact C-N 3.34Å; E1512-Q1514 PolarHBondContact O-N 2.96Å; Q1514-T1516 VanDerWaalsContact C-N 3.26Å; Q1514-T1516 PolarHBondContact O-N 3.32Å; Q1514-A1517 PolarHBondContact O-N 3.33Å; Q1514-C1518 PolarHBondContact O-N 3.5Å; Q1514-C1518 PolarHBondContact O-SG 3.24Å |
| 1515 | R | 80 | Confident | 75.7 | Confident | 153 Ų | 153 | 87 Ų | 87 | 58% | 0.577 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.2 | -39.7 | 175 | -70.2 | 178.4 | -132.2 | 148.8 | -1.5 | 111.4 | E1511 E1512 C1518 R1519 | E1511-R1515 VanDerWaalsContact O-CG 3.31Å; E1511-R1515 WeakPolarHBondContact O-CG 3.39Å; E1511-R1515 PolarHBondContact O-N 2.73Å; E1511-R1515 IonicContact OE2-CZ 3.61Å; E1511-R1515 IonicContact OE2-NE 2.67Å; E1511-R1515 IonicContact OE2-NH2 3.09Å; E1511-R1515 PolarHBondContact OE2-NH2 3.36Å; E1512-R1515 PolarHBondContact O-N 2.99Å; R1515-C1518 PolarHBondContact O-N 3.49Å; R1515-R1519 PolarHBondContact O-N 3.29Å; R1515-R1519 VanDerWaalsContact O-N 3.11Å |
| 1516 | T | 79.3 | Confident | 75.3 | Confident | 69 Ų | 69 | 86.2 Ų | 86.2 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 176.9 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | E1512 A1513 Q1514 R1519 I1520 | E1512-T1516 WeakPolarHBondContact O-CB 3.27Å; E1512-T1516 PolarHBondContact O-N 2.96Å; E1512-T1516 PolarHBondContact O-OG1 2.9Å; A1513-T1516 PolarHBondContact O-N 3.08Å; Q1514-T1516 VanDerWaalsContact C-N 3.26Å; Q1514-T1516 PolarHBondContact O-N 3.32Å; T1516-R1519 PolarHBondContact O-N 2.85Å; T1516-I1520 HydrophobicContact CG2-CD1 4.29Å; T1516-I1520 WeakPolarHBondContact O-CG1 3.48Å; T1516-I1520 PolarHBondContact O-N 2.84Å |
| 1517 | A | 69.3 | Low | 74.6 | Confident | 22 Ų | 22 | 86.1 Ų | 86.1 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1513 Q1514 R1519 I1520 Q1521 | A1513-A1517 PolarHBondContact O-N 3.24Å; Q1514-A1517 PolarHBondContact O-N 3.33Å; A1517-R1519 VanDerWaalsContact C-N 3.32Å; A1517-R1519 PolarHBondContact O-N 3.18Å; A1517-I1520 PolarHBondContact O-N 2.92Å; A1517-Q1521 PolarHBondContact O-N 3.41Å |
| 1518 | C | 74 | Confident | 74 | Confident | 70 Ų | 70 | 90.5 Ų | 90.5 | 47% | 0.473 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.3 | -43 | 175.2 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | Q1514 R1515 I1520 Q1521 E1522 | Q1514-C1518 PolarHBondContact O-N 3.5Å; Q1514-C1518 PolarHBondContact O-SG 3.24Å; R1515-C1518 PolarHBondContact O-N 3.49Å; C1518-I1520 PolarHBondContact O-N 2.96Å; C1518-Q1521 PolarHBondContact O-N 2.71Å; C1518-Q1521 VanDerWaalsContact O-N 3.16Å; C1518-E1522 PolarHBondContact O-N 3.32Å |
| 1519 | R | 79.3 | Confident | 73.4 | Confident | 188 Ų | 188 | 91.9 Ų | 91.9 | 71% | 0.709 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | -179.4 | -162.5 | 177.4 | -169.4 | 172.1 | 4.1 | 112.8 | R1515 T1516 A1517 Q1521 E1522 E1523 | R1515-R1519 PolarHBondContact O-N 3.29Å; R1515-R1519 VanDerWaalsContact O-N 3.11Å; T1516-R1519 PolarHBondContact O-N 2.85Å; A1517-R1519 VanDerWaalsContact C-N 3.32Å; A1517-R1519 PolarHBondContact O-N 3.18Å; R1519-Q1521 VanDerWaalsContact C-N 3.33Å; R1519-E1522 PolarHBondContact O-N 3.13Å; R1519-E1523 WeakPolarHBondContact O-CG 2.76Å; R1519-E1523 PolarHBondContact O-N 3Å |
| 1520 | I | 73.2 | Confident | 71.9 | Confident | 28 Ų | 28 | 89.9 Ų | 89.9 | 14% | 0.144 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.9 | -37.4 | 174.6 | -62.6 | 165.1 | 0 | 0 | 0 | 110.7 | T1516 A1517 C1518 E1523 L1524 L1554 L1558 | T1516-I1520 HydrophobicContact CG2-CD1 4.29Å; T1516-I1520 WeakPolarHBondContact O-CG1 3.48Å; T1516-I1520 PolarHBondContact O-N 2.84Å; A1517-I1520 PolarHBondContact O-N 2.92Å; C1518-I1520 PolarHBondContact O-N 2.96Å; I1520-E1523 PolarHBondContact O-N 3.11Å; I1520-L1524 HydrophobicContact CG2-CD1 4.35Å; I1520-L1524 WeakPolarHBondContact O-CG 3.34Å; I1520-L1524 PolarHBondContact O-N 2.91Å; I1520-L1524 VanDerWaalsContact O-N 3.1Å; I1520-L1554 HydrophobicContact CG2-CD2 4.44Å; I1520-L1558 HydrophobicContact CB-CD1 4.33Å; I1520-L1558 HydrophobicContact CG2-CB 3.98Å; I1520-L1558 HydrophobicContact CG2-CD1 4.2Å; I1520-L1558 HydrophobicContact CG2-CG 4.49Å |
| 1521 | Q | 69.7 | Low | 70.8 | Confident | 117 Ų | 117 | 88.2 Ų | 88.2 | 55% | 0.547 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67 | -37 | 178 | -169.6 | 163.6 | -17 | 0 | 0 | 112.4 | A1517 C1518 R1519 L1524 E1525 | A1517-Q1521 PolarHBondContact O-N 3.41Å; C1518-Q1521 PolarHBondContact O-N 2.71Å; C1518-Q1521 VanDerWaalsContact O-N 3.16Å; R1519-Q1521 VanDerWaalsContact C-N 3.33Å; Q1521-L1524 PolarHBondContact O-N 3.17Å; Q1521-E1525 PolarHBondContact O-N 2.95Å |
| 1522 | E | 77 | Confident | 69.4 | Low | 109 Ų | 109 | 90.1 Ų | 90.1 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 170.3 | -74.5 | -172.1 | -169.3 | 0 | 0 | 113.3 | C1518 R1519 E1525 K1526 | C1518-E1522 PolarHBondContact O-N 3.32Å; R1519-E1522 PolarHBondContact O-N 3.13Å; E1522-E1525 PolarHBondContact O-N 3.4Å; E1522-K1526 WeakPolarHBondContact O-CG 2.76Å; E1522-K1526 PolarHBondContact O-N 3.22Å; E1522-K1526 IonicContact OE2-NZ 2.68Å; E1522-K1526 PolarHBondContact OE2-NZ 2.74Å |
| 1523 | E | 74 | Confident | 67.5 | Low | 98 Ų | 98 | 91.2 Ų | 91.2 | 46% | 0.458 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 178 | -63.5 | -119.8 | 130.3 | 0 | 0 | 111.5 | R1519 I1520 E1525 K1526 L1527 L1554 | R1519-E1523 WeakPolarHBondContact O-CG 2.76Å; R1519-E1523 PolarHBondContact O-N 3Å; I1520-E1523 PolarHBondContact O-N 3.11Å; E1523-E1525 VanDerWaalsContact C-N 3.33Å; E1523-E1525 PolarHBondContact O-N 2.67Å; E1523-K1526 PolarHBondContact O-N 3.08Å; E1523-L1527 PolarHBondContact O-N 2.93Å; E1523-L1554 HydrophobicContact CB-CD1 4.29Å |
| 1524 | L | 65.8 | Low | 65.9 | Low | 19 Ų | 19 | 98.7 Ų | 98.7 | 10% | 0.099 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | 173.1 | -71.1 | 170 | 0 | 0 | 0 | 112.3 | I1520 Q1521 R1528 E1551 L1554 L1558 | I1520-L1524 HydrophobicContact CG2-CD1 4.35Å; I1520-L1524 WeakPolarHBondContact O-CG 3.34Å; I1520-L1524 PolarHBondContact O-N 2.91Å; I1520-L1524 VanDerWaalsContact O-N 3.1Å; Q1521-L1524 PolarHBondContact O-N 3.17Å; L1524-R1528 WeakPolarHBondContact O-CB 3.28Å; L1524-R1528 PolarHBondContact O-N 3.46Å; L1524-R1528 VanDerWaalsContact O-N 3.13Å; L1524-E1551 HydrophobicContact CD2-CG 4.18Å; L1524-L1554 HydrophobicContact CD2-CB 3.81Å; L1524-L1554 HydrophobicContact CD2-CD1 4.23Å; L1524-L1554 HydrophobicContact CG-CB 4.31Å; L1524-L1558 HydrophobicContact CD1-CD2 4Å |
| 1525 | E | 71.4 | Confident | 64.3 | Low | 114 Ų | 114 | 96.3 Ų | 96.3 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.2 | -36.7 | 172.8 | -66.9 | -145.3 | 128.5 | 0 | 0 | 113 | Q1521 E1522 E1523 R1528 A1529 | Q1521-E1525 PolarHBondContact O-N 2.95Å; E1522-E1525 PolarHBondContact O-N 3.4Å; E1523-E1525 VanDerWaalsContact C-N 3.33Å; E1523-E1525 PolarHBondContact O-N 2.67Å; E1525-R1528 PolarHBondContact O-N 2.77Å; E1525-R1528 IonicContact OE1-NH1 2.7Å; E1525-R1528 PolarHBondContact OE1-NH1 3.2Å; E1525-A1529 VanDerWaalsContact O-CB 3.27Å; E1525-A1529 WeakPolarHBondContact O-CB 3.26Å; E1525-A1529 PolarHBondContact O-N 3.34Å |
| 1526 | K | 73.4 | Confident | 62.5 | Low | 123 Ų | 123 | 92.2 Ų | 92.2 | 54% | 0.535 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 172.7 | -75.7 | 164.8 | -175.6 | 151.5 | 0 | 111.7 | E1522 E1523 R1528 A1529 A1530 | E1522-K1526 WeakPolarHBondContact O-CG 2.76Å; E1522-K1526 PolarHBondContact O-N 3.22Å; E1522-K1526 IonicContact OE2-NZ 2.68Å; E1522-K1526 PolarHBondContact OE2-NZ 2.74Å; E1523-K1526 PolarHBondContact O-N 3.08Å; K1526-R1528 VanDerWaalsContact C-N 3.34Å; K1526-R1528 PolarHBondContact O-N 3.29Å; K1526-A1529 PolarHBondContact O-N 2.92Å; K1526-A1530 WeakPolarHBondContact O-CB 3.39Å; K1526-A1530 PolarHBondContact O-N 2.95Å |
| 1527 | L | 62.9 | Low | 61.2 | Low | 54 Ų | 54 | 90.9 Ų | 90.9 | 28% | 0.283 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 174.4 | -78 | 169.2 | 0 | 0 | 0 | 112.4 | E1523 L1554 | E1523-L1527 PolarHBondContact O-N 2.93Å; L1527-L1554 HydrophobicContact CD1-CD1 3.58Å |
| 1528 | R | 62.6 | Low | 60.2 | Low | 170 Ų | 170 | 94.3 Ų | 94.3 | 64% | 0.642 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.2 | -33.3 | 175.4 | -168.3 | -175.1 | -61 | 140.1 | 5.5 | 113.1 | L1524 E1525 K1526 | L1524-R1528 WeakPolarHBondContact O-CB 3.28Å; L1524-R1528 PolarHBondContact O-N 3.46Å; L1524-R1528 VanDerWaalsContact O-N 3.13Å; E1525-R1528 PolarHBondContact O-N 2.77Å; E1525-R1528 IonicContact OE1-NH1 2.7Å; E1525-R1528 PolarHBondContact OE1-NH1 3.2Å; K1526-R1528 VanDerWaalsContact C-N 3.34Å; K1526-R1528 PolarHBondContact O-N 3.29Å |
| 1529 | A | 63.5 | Low | 59.2 | Low | 84 Ų | 84 | 96.5 Ų | 96.5 | 69% | 0.694 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -79.9 | -22.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1525 K1526 G1531 | E1525-A1529 VanDerWaalsContact O-CB 3.27Å; E1525-A1529 WeakPolarHBondContact O-CB 3.26Å; E1525-A1529 PolarHBondContact O-N 3.34Å; K1526-A1529 PolarHBondContact O-N 2.92Å; A1529-G1531 VanDerWaalsContact C-N 3.25Å; A1529-G1531 PolarHBondContact O-N 2.94Å |
| 1530 | A | 50.1 | Low | 58.2 | Low | 42 Ų | 42 | 90.8 Ų | 90.8 | 35% | 0.347 | 49% | 0.489 | S | S | . | . | trans | -71.6 | 76.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1526 R1547 | K1526-A1530 WeakPolarHBondContact O-CB 3.39Å; K1526-A1530 PolarHBondContact O-N 2.95Å; A1530-R1547 PolarHBondContact O-NH1 2.82Å | ||
| 1531 | G | 52.5 | Low | 57.8 | Low | 40 Ų | 40 | 94.7 Ų | 94.7 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 173.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1529 L1533 | A1529-G1531 VanDerWaalsContact C-N 3.25Å; A1529-G1531 PolarHBondContact O-N 2.94Å; G1531-L1533 PolarHBondContact O-N 2.86Å |
| 1532 | P | 50.6 | Low | 57.9 | Low | 132 Ų | 132 | 93.5 Ų | 93.5 | 86% | 0.857 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 126.3 | -179.7 | -21.2 | 33.4 | 0 | 0 | 0 | 111.3 | ||
| 1533 | L | 41.5 | Very low | 57.6 | Low | 148 Ų | 148 | 92.7 Ų | 92.7 | 78% | 0.775 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -100.2 | 116.6 | 167.6 | -97.4 | 156.5 | 0 | 0 | 0 | 106.8 | G1531 S1535 | G1531-L1533 PolarHBondContact O-N 2.86Å; L1533-S1535 PolarHBondContact O-N 3.28Å |
| 1534 | E | 40.3 | Very low | 57.4 | Low | 184 Ų | 184 | 93.3 Ų | 93.3 | 86% | 0.86 | 51% | 0.512 | S | S | * | . | trans | -73.9 | 104.3 | -171.8 | -60 | -179.9 | 157.3 | 0 | 0 | 111.6 | ||||
| 1535 | S | 39.6 | Very low | 57.9 | Low | 58 Ų | 58 | 99.8 Ų | 99.8 | 41% | 0.406 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -165.9 | 99.8 | 165.2 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | L1533 E1540 | L1533-S1535 PolarHBondContact O-N 3.28Å; S1535-E1540 VanDerWaalsContact C-OE1 3.29Å; S1535-E1540 PolarHBondContact N-OE1 2.84Å |
| 1536 | S | 42.8 | Very low | 58.2 | Low | 68 Ų | 68 | 99.1 Ų | 99.1 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | trans | 63.5 | 106.5 | 166.8 | 76.7 | 0 | 0 | 0 | 0 | 116.2 | K1538 E1539 E1540 | S1536-K1538 PolarHBondContact O-N 2.92Å; S1536-E1539 PolarHBondContact O-N 2.78Å; S1536-E1540 PolarHBondContact O-N 3.13Å | ||
| 1537 | G | 51.6 | Low | 58.4 | Low | 41 Ų | 41 | 97.1 Ų | 97.1 | 42% | 0.423 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 25 | -172.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | I1541 | G1537-I1541 VanDerWaalsContact O-CD1 3.26Å; G1537-I1541 WeakPolarHBondContact O-CD1 2.99Å; G1537-I1541 WeakPolarHBondContact O-CG1 3.07Å |
| 1538 | K | 49.2 | Very low | 59.1 | Low | 94 Ų | 94 | 98.8 Ų | 98.8 | 41% | 0.409 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -47.7 | 165.1 | -99.6 | -163 | 171 | 174.6 | 0 | 112.3 | M127 S1536 E1540 I1541 T1542 | M127-K1538 VanDerWaalsContact O-CD 3.23Å; M127-K1538 WeakPolarHBondContact O-CD 3.42Å; M127-K1538 WeakPolarHBondContact O-CE 3.06Å; M127-K1538 PolarHBondContact O-NZ 2.81Å; S1536-K1538 PolarHBondContact O-N 2.92Å; K1538-E1540 VanDerWaalsContact C-N 3.26Å; K1538-E1540 PolarHBondContact O-N 2.61Å; K1538-I1541 PolarHBondContact O-N 3.31Å; K1538-I1541 VanDerWaalsContact O-N 3.13Å; K1538-T1542 PolarHBondContact O-N 2.87Å; K1538-T1542 PolarHBondContact O-OG1 2.91Å |
| 1539 | E | 51.9 | Low | 60 | Low | 115 Ų | 115 | 95.8 Ų | 95.8 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -34.4 | 173 | -63 | -167.4 | 150.3 | 0 | 0 | 110.8 | S1536 I1541 T1542 Q1543 | S1536-E1539 PolarHBondContact O-N 2.78Å; E1539-I1541 VanDerWaalsContact C-N 3.27Å; E1539-I1541 PolarHBondContact O-N 3.42Å; E1539-T1542 WeakPolarHBondContact CA-OG1 3.17Å; E1539-T1542 PolarHBondContact O-N 3.44Å; E1539-T1542 PolarHBondContact O-OG1 2.79Å; E1539-Q1543 VanDerWaalsContact O-CB 3.27Å; E1539-Q1543 WeakPolarHBondContact O-CB 3Å; E1539-Q1543 VanDerWaalsContact O-CG 3.23Å; E1539-Q1543 WeakPolarHBondContact O-CG 3.32Å; E1539-Q1543 PolarHBondContact O-N 3.25Å |
| 1540 | E | 57.7 | Low | 60.9 | Low | 68 Ų | 68 | 97 Ų | 97 | 32% | 0.318 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.7 | -37.6 | 170.7 | -67.1 | 173.2 | -177.1 | 0 | 0 | 112.4 | S1535 S1536 K1538 L1544 | S1535-E1540 VanDerWaalsContact C-OE1 3.29Å; S1535-E1540 PolarHBondContact N-OE1 2.84Å; S1536-E1540 PolarHBondContact O-N 3.13Å; K1538-E1540 VanDerWaalsContact C-N 3.26Å; K1538-E1540 PolarHBondContact O-N 2.61Å; E1540-L1544 WeakPolarHBondContact O-CB 3.15Å; E1540-L1544 WeakPolarHBondContact O-CD1 3.14Å; E1540-L1544 WeakPolarHBondContact O-CG 3.11Å; E1540-L1544 PolarHBondContact O-N 2.85Å |
| 1541 | I | 65.3 | Low | 62.3 | Low | 111 Ų | 111 | 99 Ų | 99 | 57% | 0.569 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.4 | -43.3 | 179.6 | -65.3 | 177.3 | 0 | 0 | 0 | 111 | G1537 K1538 E1539 K1545 | G1537-I1541 VanDerWaalsContact O-CD1 3.26Å; G1537-I1541 WeakPolarHBondContact O-CD1 2.99Å; G1537-I1541 WeakPolarHBondContact O-CG1 3.07Å; K1538-I1541 PolarHBondContact O-N 3.31Å; K1538-I1541 VanDerWaalsContact O-N 3.13Å; E1539-I1541 VanDerWaalsContact C-N 3.27Å; E1539-I1541 PolarHBondContact O-N 3.42Å; I1541-K1545 WeakPolarHBondContact O-CB 3.48Å; I1541-K1545 PolarHBondContact O-N 2.92Å |
| 1542 | T | 72.5 | Confident | 63.8 | Low | 92 Ų | 92 | 102.4 Ų | 102.4 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 174.5 | 27.3 | 0 | 0 | 0 | 0 | 111.7 | K1538 E1539 L1544 K1545 E1546 | K1538-T1542 PolarHBondContact O-N 2.87Å; K1538-T1542 PolarHBondContact O-OG1 2.91Å; E1539-T1542 WeakPolarHBondContact CA-OG1 3.17Å; E1539-T1542 PolarHBondContact O-N 3.44Å; E1539-T1542 PolarHBondContact O-OG1 2.79Å; T1542-L1544 PolarHBondContact O-N 3.2Å; T1542-K1545 PolarHBondContact O-N 2.87Å; T1542-E1546 WeakPolarHBondContact O-CB 3.31Å; T1542-E1546 PolarHBondContact O-N 2.89Å |
| 1543 | Q | 71.3 | Confident | 65.5 | Low | 92 Ų | 92 | 104.8 Ų | 104.8 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.2 | -71.7 | -179.5 | 38 | 0 | 0 | 112.4 | E1539 E1546 R1547 | E1539-Q1543 VanDerWaalsContact O-CB 3.27Å; E1539-Q1543 WeakPolarHBondContact O-CB 3Å; E1539-Q1543 VanDerWaalsContact O-CG 3.23Å; E1539-Q1543 WeakPolarHBondContact O-CG 3.32Å; E1539-Q1543 PolarHBondContact O-N 3.25Å; Q1543-E1546 PolarHBondContact O-N 3.4Å; Q1543-R1547 WeakPolarHBondContact O-CB 3.05Å; Q1543-R1547 VanDerWaalsContact O-CG 3.28Å; Q1543-R1547 WeakPolarHBondContact O-CG 3.39Å; Q1543-R1547 PolarHBondContact O-N 3.35Å |
| 1544 | L | 70 | Confident | 67.6 | Low | 111 Ų | 111 | 99.5 Ų | 99.5 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 173.2 | -79.3 | 167 | 0 | 0 | 0 | 111.6 | E1540 T1542 R1547 L1548 | E1540-L1544 WeakPolarHBondContact O-CB 3.15Å; E1540-L1544 WeakPolarHBondContact O-CD1 3.14Å; E1540-L1544 WeakPolarHBondContact O-CG 3.11Å; E1540-L1544 PolarHBondContact O-N 2.85Å; T1542-L1544 PolarHBondContact O-N 3.2Å; L1544-R1547 PolarHBondContact O-N 2.88Å; L1544-L1548 WeakPolarHBondContact O-CB 3.22Å; L1544-L1548 PolarHBondContact O-N 3.1Å |
| 1545 | K | 74.5 | Confident | 69.7 | Low | 154 Ų | 154 | 94.4 Ų | 94.4 | 67% | 0.67 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.5 | -39.1 | 176.8 | -154 | 175 | -172.4 | -178 | 0 | 111.7 | I1541 T1542 L1548 E1549 | I1541-K1545 WeakPolarHBondContact O-CB 3.48Å; I1541-K1545 PolarHBondContact O-N 2.92Å; T1542-K1545 PolarHBondContact O-N 2.87Å; K1545-L1548 PolarHBondContact O-N 3.36Å; K1545-E1549 PolarHBondContact O-N 3.1Å |
| 1546 | E | 79.6 | Confident | 71.9 | Confident | 100 Ų | 100 | 94.9 Ų | 94.9 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.1 | -41.3 | 175.7 | -162.3 | -158.8 | 141.5 | 0 | 0 | 112.4 | T1542 Q1543 L1548 E1549 K1550 | T1542-E1546 WeakPolarHBondContact O-CB 3.31Å; T1542-E1546 PolarHBondContact O-N 2.89Å; Q1543-E1546 PolarHBondContact O-N 3.4Å; E1546-L1548 VanDerWaalsContact C-N 3.33Å; E1546-L1548 PolarHBondContact O-N 2.81Å; E1546-E1549 PolarHBondContact O-N 2.94Å; E1546-K1550 WeakPolarHBondContact O-CB 3.32Å; E1546-K1550 WeakPolarHBondContact O-CG 2.82Å; E1546-K1550 PolarHBondContact O-N 2.84Å; E1546-K1550 VanDerWaalsContact OE1-CE 3.23Å; E1546-K1550 WeakPolarHBondContact OE1-CE 3.04Å; E1546-K1550 IonicContact OE1-NZ 3.69Å; E1546-K1550 PolarHBondContact OE1-NZ 3.11Å |
| 1547 | R | 76.2 | Confident | 74 | Confident | 81 Ų | 81 | 94.3 Ų | 94.3 | 31% | 0.306 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 171.8 | -78.1 | 177.5 | 178.3 | -153.4 | 5.1 | 111.4 | A1530 Q1543 L1544 K1550 E1551 | A1530-R1547 PolarHBondContact O-NH1 2.82Å; Q1543-R1547 WeakPolarHBondContact O-CB 3.05Å; Q1543-R1547 VanDerWaalsContact O-CG 3.28Å; Q1543-R1547 WeakPolarHBondContact O-CG 3.39Å; Q1543-R1547 PolarHBondContact O-N 3.35Å; L1544-R1547 PolarHBondContact O-N 2.88Å; R1547-K1550 PolarHBondContact O-N 2.61Å; R1547-E1551 WeakPolarHBondContact O-CB 3.35Å; R1547-E1551 PolarHBondContact O-N 3.35Å |
| 1548 | L | 77.7 | Confident | 75.5 | Confident | 89 Ų | 89 | 94.6 Ų | 94.6 | 47% | 0.466 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65 | -37.9 | 177.8 | -175.3 | 65.9 | 0 | 0 | 0 | 112.1 | L1544 K1545 E1546 K1552 | L1544-L1548 WeakPolarHBondContact O-CB 3.22Å; L1544-L1548 PolarHBondContact O-N 3.1Å; K1545-L1548 PolarHBondContact O-N 3.36Å; E1546-L1548 VanDerWaalsContact C-N 3.33Å; E1546-L1548 PolarHBondContact O-N 2.81Å; L1548-K1552 WeakPolarHBondContact O-CB 2.91Å; L1548-K1552 VanDerWaalsContact O-CG 3.24Å; L1548-K1552 WeakPolarHBondContact O-CG 3.35Å; L1548-K1552 PolarHBondContact O-N 2.76Å |
| 1549 | E | 82.4 | Confident | 77.1 | Confident | 108 Ų | 108 | 91.8 Ų | 91.8 | 51% | 0.505 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 170.7 | -82.9 | -61.6 | 114.9 | 0 | 0 | 112.3 | K1545 E1546 E1551 K1552 R1553 | K1545-E1549 PolarHBondContact O-N 3.1Å; E1546-E1549 PolarHBondContact O-N 2.94Å; E1549-E1551 PolarHBondContact O-N 3.29Å; E1549-K1552 PolarHBondContact O-N 3.4Å; E1549-K1552 IonicContact OE1-NZ 2.69Å; E1549-K1552 PolarHBondContact OE1-NZ 3.35Å; E1549-R1553 WeakPolarHBondContact O-CB 3.38Å; E1549-R1553 PolarHBondContact O-N 2.88Å |
| 1550 | K | 82.6 | Confident | 78.5 | Confident | 108 Ų | 108 | 93.4 Ų | 93.4 | 47% | 0.47 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 176.3 | -78.4 | 170.9 | 167.3 | 170.1 | 0 | 112.3 | E1546 R1547 R1553 L1554 | E1546-K1550 WeakPolarHBondContact O-CB 3.32Å; E1546-K1550 WeakPolarHBondContact O-CG 2.82Å; E1546-K1550 PolarHBondContact O-N 2.84Å; E1546-K1550 VanDerWaalsContact OE1-CE 3.23Å; E1546-K1550 WeakPolarHBondContact OE1-CE 3.04Å; E1546-K1550 IonicContact OE1-NZ 3.69Å; E1546-K1550 PolarHBondContact OE1-NZ 3.11Å; R1547-K1550 PolarHBondContact O-N 2.61Å; K1550-R1553 PolarHBondContact O-N 2.82Å; K1550-L1554 WeakPolarHBondContact O-CG 2.97Å; K1550-L1554 PolarHBondContact O-N 2.81Å |
| 1551 | E | 77.8 | Confident | 79.7 | Confident | 85 Ų | 85 | 91.3 Ų | 91.3 | 40% | 0.397 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 176.8 | -173.9 | 176.3 | -161.1 | 0 | 0 | 112 | L1524 R1547 E1549 R1553 L1554 T1555 | L1524-E1551 HydrophobicContact CD2-CG 4.18Å; R1547-E1551 WeakPolarHBondContact O-CB 3.35Å; R1547-E1551 PolarHBondContact O-N 3.35Å; E1549-E1551 PolarHBondContact O-N 3.29Å; E1551-R1553 VanDerWaalsContact C-N 3.32Å; E1551-R1553 PolarHBondContact O-N 2.73Å; E1551-L1554 PolarHBondContact O-N 3.48Å; E1551-T1555 WeakPolarHBondContact O-CB 3.44Å; E1551-T1555 PolarHBondContact O-N 2.76Å; E1551-T1555 PolarHBondContact O-OG1 2.83Å |
| 1552 | K | 84.4 | Confident | 80.3 | Confident | 111 Ų | 111 | 88.7 Ų | 88.7 | 48% | 0.483 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58 | -43.9 | 173.4 | -74.7 | 171.3 | -171.6 | 170.6 | 0 | 112 | L1548 E1549 T1555 S1556 | L1548-K1552 WeakPolarHBondContact O-CB 2.91Å; L1548-K1552 VanDerWaalsContact O-CG 3.24Å; L1548-K1552 WeakPolarHBondContact O-CG 3.35Å; L1548-K1552 PolarHBondContact O-N 2.76Å; E1549-K1552 PolarHBondContact O-N 3.4Å; E1549-K1552 IonicContact OE1-NZ 2.69Å; E1549-K1552 PolarHBondContact OE1-NZ 3.35Å; K1552-T1555 PolarHBondContact O-N 2.86Å; K1552-S1556 WeakPolarHBondContact O-CB 3.22Å; K1552-S1556 PolarHBondContact O-N 2.59Å |
| 1553 | R | 87.6 | Confident | 80.8 | Confident | 183 Ų | 183 | 89.5 Ų | 89.5 | 69% | 0.691 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64 | -51.5 | -179.8 | -175.5 | 172.5 | 177.3 | 165.6 | -1.7 | 111.5 | E1549 K1550 E1551 T1555 S1556 D1557 | E1549-R1553 WeakPolarHBondContact O-CB 3.38Å; E1549-R1553 PolarHBondContact O-N 2.88Å; K1550-R1553 PolarHBondContact O-N 2.82Å; E1551-R1553 VanDerWaalsContact C-N 3.32Å; E1551-R1553 PolarHBondContact O-N 2.73Å; R1553-T1555 VanDerWaalsContact C-N 3.27Å; R1553-T1555 PolarHBondContact O-N 2.8Å; R1553-S1556 WeakPolarHBondContact O-CB 3.22Å; R1553-S1556 PolarHBondContact O-N 2.8Å; R1553-S1556 VanDerWaalsContact O-N 3.11Å; R1553-D1557 PolarHBondContact O-N 2.78Å |
| 1554 | L | 84.3 | Confident | 81.4 | Confident | 36 Ų | 36 | 91.8 Ų | 91.8 | 19% | 0.188 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 176.2 | -71.7 | 170.7 | 0 | 0 | 0 | 112.2 | I1520 E1523 L1524 L1527 K1550 E1551 D1557 L1558 | I1520-L1554 HydrophobicContact CG2-CD2 4.44Å; E1523-L1554 HydrophobicContact CB-CD1 4.29Å; L1524-L1554 HydrophobicContact CD2-CB 3.81Å; L1524-L1554 HydrophobicContact CD2-CD1 4.23Å; L1524-L1554 HydrophobicContact CG-CB 4.31Å; L1527-L1554 HydrophobicContact CD1-CD1 3.58Å; K1550-L1554 WeakPolarHBondContact O-CG 2.97Å; K1550-L1554 PolarHBondContact O-N 2.81Å; E1551-L1554 PolarHBondContact O-N 3.48Å; L1554-D1557 PolarHBondContact O-N 3.4Å; L1554-L1558 WeakPolarHBondContact O-CB 3.46Å; L1554-L1558 PolarHBondContact O-N 2.72Å |
| 1555 | T | 85.4 | Confident | 82.2 | Confident | 78 Ų | 78 | 88.1 Ų | 88.1 | 48% | 0.479 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 112 | E1551 K1552 R1553 G1559 | E1551-T1555 WeakPolarHBondContact O-CB 3.44Å; E1551-T1555 PolarHBondContact O-N 2.76Å; E1551-T1555 PolarHBondContact O-OG1 2.83Å; K1552-T1555 PolarHBondContact O-N 2.86Å; R1553-T1555 VanDerWaalsContact C-N 3.27Å; R1553-T1555 PolarHBondContact O-N 2.8Å; T1555-G1559 PolarHBondContact O-N 3.46Å |
| 1556 | S | 85.8 | Confident | 82.6 | Confident | 67 Ų | 67 | 85.6 Ų | 85.6 | 47% | 0.469 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 175.4 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | K1552 R1553 G1559 R1560 | K1552-S1556 WeakPolarHBondContact O-CB 3.22Å; K1552-S1556 PolarHBondContact O-N 2.59Å; R1553-S1556 WeakPolarHBondContact O-CB 3.22Å; R1553-S1556 PolarHBondContact O-N 2.8Å; R1553-S1556 VanDerWaalsContact O-N 3.11Å; S1556-G1559 PolarHBondContact O-N 2.87Å; S1556-R1560 PolarHBondContact O-N 2.79Å |
| 1557 | D | 86.3 | Confident | 82.8 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 30% | 0.299 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73 | -33.3 | -178.8 | -66.9 | -31.8 | 0 | 0 | 0 | 112.3 | R1553 L1554 R1560 A1561 | R1553-D1557 PolarHBondContact O-N 2.78Å; L1554-D1557 PolarHBondContact O-N 3.4Å; D1557-R1560 WeakPolarHBondContact O-CB 3.45Å; D1557-R1560 PolarHBondContact O-N 3.33Å; D1557-R1560 IonicContact OD1-CZ 2.73Å; D1557-R1560 IonicContact OD1-NE 2.66Å; D1557-R1560 PolarHBondContact OD1-NE 2.91Å; D1557-R1560 IonicContact OD1-NH2 3.1Å; D1557-R1560 PolarHBondContact OD1-NH2 2.65Å; D1557-A1561 PolarHBondContact O-N 3.24Å |
| 1558 | L | 83.9 | Confident | 83.3 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 25% | 0.251 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 168.1 | -175.5 | 62.4 | 0 | 0 | 0 | 111.9 | I1520 L1524 L1554 R1560 A1561 A1562 | I1520-L1558 HydrophobicContact CB-CD1 4.33Å; I1520-L1558 HydrophobicContact CG2-CB 3.98Å; I1520-L1558 HydrophobicContact CG2-CD1 4.2Å; I1520-L1558 HydrophobicContact CG2-CG 4.49Å; L1524-L1558 HydrophobicContact CD1-CD2 4Å; L1554-L1558 WeakPolarHBondContact O-CB 3.46Å; L1554-L1558 PolarHBondContact O-N 2.72Å; L1558-R1560 VanDerWaalsContact C-N 3.3Å; L1558-R1560 PolarHBondContact O-N 2.82Å; L1558-A1561 PolarHBondContact O-N 2.65Å; L1558-A1562 PolarHBondContact O-N 2.74Å |
| 1559 | G | 83.1 | Confident | 83.7 | Confident | 34 Ų | 34 | 84.9 Ų | 84.9 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1555 S1556 A1562 I1563 | T1555-G1559 PolarHBondContact O-N 3.46Å; S1556-G1559 PolarHBondContact O-N 2.87Å; G1559-A1562 PolarHBondContact O-N 2.78Å; G1559-I1563 WeakPolarHBondContact O-CG1 3.13Å; G1559-I1563 PolarHBondContact O-N 2.76Å; G1559-I1563 VanDerWaalsContact O-N 3.11Å |
| 1560 | R | 81 | Confident | 83.8 | Confident | 149 Ų | 149 | 85.6 Ų | 85.6 | 56% | 0.562 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.2 | -36.4 | 176.2 | -151.7 | -171.2 | -52.2 | -105.7 | 2.6 | 112.4 | S1556 D1557 L1558 K1564 | S1556-R1560 PolarHBondContact O-N 2.79Å; D1557-R1560 WeakPolarHBondContact O-CB 3.45Å; D1557-R1560 PolarHBondContact O-N 3.33Å; D1557-R1560 IonicContact OD1-CZ 2.73Å; D1557-R1560 IonicContact OD1-NE 2.66Å; D1557-R1560 PolarHBondContact OD1-NE 2.91Å; D1557-R1560 IonicContact OD1-NH2 3.1Å; D1557-R1560 PolarHBondContact OD1-NH2 2.65Å; L1558-R1560 VanDerWaalsContact C-N 3.3Å; L1558-R1560 PolarHBondContact O-N 2.82Å; R1560-K1564 PolarHBondContact O-N 2.78Å |
| 1561 | A | 81.7 | Confident | 83.7 | Confident | 24 Ų | 24 | 83.6 Ų | 83.6 | 20% | 0.198 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1557 L1558 I1563 K1564 L1565 | D1557-A1561 PolarHBondContact O-N 3.24Å; L1558-A1561 PolarHBondContact O-N 2.65Å; A1561-I1563 VanDerWaalsContact C-N 3.32Å; A1561-I1563 PolarHBondContact O-N 3.44Å; A1561-K1564 PolarHBondContact O-N 3.48Å; A1561-L1565 PolarHBondContact O-N 2.68Å; A1561-L1565 VanDerWaalsContact O-N 3.07Å |
| 1562 | A | 78.7 | Confident | 84 | Confident | 56 Ų | 56 | 82.1 Ų | 82.1 | 46% | 0.463 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1558 G1559 L1565 Q1566 | L1558-A1562 PolarHBondContact O-N 2.74Å; G1559-A1562 PolarHBondContact O-N 2.78Å; A1562-L1565 PolarHBondContact O-N 2.68Å; A1562-Q1566 PolarHBondContact O-N 3.07Å |
| 1563 | I | 82.2 | Confident | 83.9 | Confident | 109 Ų | 109 | 81 Ų | 81 | 56% | 0.559 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.8 | -47.3 | 174.4 | -68.7 | 165.3 | 0 | 0 | 0 | 110.9 | G1559 A1561 L1565 Q1566 E1567 | G1559-I1563 WeakPolarHBondContact O-CG1 3.13Å; G1559-I1563 PolarHBondContact O-N 2.76Å; G1559-I1563 VanDerWaalsContact O-N 3.11Å; A1561-I1563 VanDerWaalsContact C-N 3.32Å; A1561-I1563 PolarHBondContact O-N 3.44Å; I1563-L1565 VanDerWaalsContact C-N 3.35Å; I1563-L1565 PolarHBondContact O-N 2.73Å; I1563-Q1566 PolarHBondContact O-N 2.85Å; I1563-E1567 WeakPolarHBondContact O-CB 3.41Å; I1563-E1567 PolarHBondContact O-N 3.47Å |
| 1564 | K | 84.8 | Confident | 83.7 | Confident | 141 Ų | 141 | 76.1 Ų | 76.1 | 61% | 0.613 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58.9 | -42.7 | 177.2 | -75.5 | -172.6 | 171.8 | -169.4 | 0 | 112.8 | R1560 A1561 Q1566 E1567 L1568 | R1560-K1564 PolarHBondContact O-N 2.78Å; A1561-K1564 PolarHBondContact O-N 3.48Å; K1564-Q1566 VanDerWaalsContact C-N 3.35Å; K1564-E1567 PolarHBondContact O-N 3.25Å; K1564-L1568 WeakPolarHBondContact O-CG 3.02Å; K1564-L1568 PolarHBondContact O-N 3.28Å |
| 1565 | L | 85.5 | Confident | 83.6 | Confident | 33 Ų | 33 | 78 Ų | 78 | 17% | 0.173 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.5 | -86.9 | 163.4 | 0 | 0 | 0 | 112 | F1510 A1513 A1561 A1562 I1563 E1567 L1568 L1569 | F1510-L1565 HydrophobicContact CD2-CD2 3.82Å; F1510-L1565 HydrophobicContact CE2-CD2 3.79Å; A1513-L1565 HydrophobicContact CB-CD1 4.36Å; A1513-L1565 HydrophobicContact CB-CD2 3.7Å; A1513-L1565 HydrophobicContact CB-CG 3.99Å; A1561-L1565 PolarHBondContact O-N 2.68Å; A1561-L1565 VanDerWaalsContact O-N 3.07Å; A1562-L1565 PolarHBondContact O-N 2.68Å; I1563-L1565 VanDerWaalsContact C-N 3.35Å; I1563-L1565 PolarHBondContact O-N 2.73Å; L1565-E1567 VanDerWaalsContact C-N 3.32Å; L1565-E1567 PolarHBondContact O-N 2.83Å; L1565-L1568 PolarHBondContact O-N 2.89Å; L1565-L1569 WeakPolarHBondContact O-CG 3.44Å; L1565-L1569 PolarHBondContact O-N 2.7Å |
| 1566 | Q | 82.7 | Confident | 83.4 | Confident | 101 Ų | 101 | 75.7 Ų | 75.7 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.3 | -32.1 | 178 | -164.3 | 168.8 | 76.5 | 0 | 0 | 112.3 | S1432 A1562 I1563 K1564 K1570 | S1432-Q1566 PolarHBondContact OG-NE2 2.78Å; S1432-Q1566 VanDerWaalsContact OG-NE2 3.16Å; A1562-Q1566 PolarHBondContact O-N 3.07Å; I1563-Q1566 PolarHBondContact O-N 2.85Å; K1564-Q1566 VanDerWaalsContact C-N 3.35Å; Q1566-K1570 WeakPolarHBondContact O-CB 3.08Å; Q1566-K1570 PolarHBondContact O-N 2.82Å; Q1566-K1570 VanDerWaalsContact O-N 3.13Å |
| 1567 | E | 84.7 | Confident | 83 | Confident | 128 Ų | 128 | 76 Ų | 76 | 60% | 0.598 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -71.2 | -41.6 | 175 | -162.3 | 163 | -133.5 | 0 | 0 | 112.2 | I1563 K1564 L1565 K1570 T1571 | I1563-E1567 WeakPolarHBondContact O-CB 3.41Å; I1563-E1567 PolarHBondContact O-N 3.47Å; K1564-E1567 PolarHBondContact O-N 3.25Å; L1565-E1567 VanDerWaalsContact C-N 3.32Å; L1565-E1567 PolarHBondContact O-N 2.83Å; E1567-K1570 PolarHBondContact O-N 2.71Å; E1567-T1571 PolarHBondContact O-N 2.73Å; E1567-T1571 PolarHBondContact O-OG1 3.38Å |
| 1568 | L | 86.3 | Confident | 82.7 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 172.6 | -74.2 | 168.8 | 0 | 0 | 0 | 112.8 | K1564 L1565 K1570 T1571 T1572 | K1564-L1568 WeakPolarHBondContact O-CG 3.02Å; K1564-L1568 PolarHBondContact O-N 3.28Å; L1565-L1568 PolarHBondContact O-N 2.89Å; L1568-K1570 VanDerWaalsContact C-N 3.3Å; L1568-K1570 PolarHBondContact O-N 3.36Å; L1568-T1571 PolarHBondContact O-N 3.13Å; L1568-T1571 PolarHBondContact O-OG1 2.85Å; L1568-T1572 WeakPolarHBondContact O-CB 3.05Å; L1568-T1572 PolarHBondContact O-N 2.85Å; L1568-T1572 PolarHBondContact O-OG1 2.68Å |
| 1569 | L | 85.5 | Confident | 82 | Confident | 67 Ų | 67 | 79.8 Ų | 79.8 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 174 | -74.6 | 165.1 | 0 | 0 | 0 | 111.3 | L1436 F1510 L1565 T1572 Q1573 | L1436-L1569 HydrophobicContact CD1-CD1 3.77Å; L1436-L1569 HydrophobicContact CD1-CD2 4.01Å; F1510-L1569 HydrophobicContact CE2-CD2 4.4Å; L1565-L1569 WeakPolarHBondContact O-CG 3.44Å; L1565-L1569 PolarHBondContact O-N 2.7Å; L1569-T1572 WeakPolarHBondContact O-CB 2.89Å; L1569-T1572 PolarHBondContact O-N 2.56Å; L1569-Q1573 PolarHBondContact O-N 2.78Å |
| 1570 | K | 86.4 | Confident | 81.8 | Confident | 123 Ų | 123 | 82.7 Ų | 82.7 | 54% | 0.535 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 178.1 | -177 | 175.7 | 176.5 | -66.1 | 0 | 112.8 | Q1566 E1567 L1568 T1572 Q1573 E1574 | Q1566-K1570 WeakPolarHBondContact O-CB 3.08Å; Q1566-K1570 PolarHBondContact O-N 2.82Å; Q1566-K1570 VanDerWaalsContact O-N 3.13Å; E1567-K1570 PolarHBondContact O-N 2.71Å; L1568-K1570 VanDerWaalsContact C-N 3.3Å; L1568-K1570 PolarHBondContact O-N 3.36Å; K1570-T1572 VanDerWaalsContact C-N 3.32Å; K1570-T1572 PolarHBondContact O-N 2.83Å; K1570-Q1573 PolarHBondContact O-N 2.63Å; K1570-E1574 IonicContact NZ-OE1 2.64Å; K1570-E1574 PolarHBondContact NZ-OE1 3.17Å; K1570-E1574 WeakPolarHBondContact O-CG 3.3Å; K1570-E1574 PolarHBondContact O-N 2.73Å |
| 1571 | T | 79.7 | Confident | 81.6 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 41% | 0.405 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.4 | -34.1 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | E1567 L1568 E1574 Q1575 | E1567-T1571 PolarHBondContact O-N 2.73Å; E1567-T1571 PolarHBondContact O-OG1 3.38Å; L1568-T1571 PolarHBondContact O-N 3.13Å; L1568-T1571 PolarHBondContact O-OG1 2.85Å; T1571-E1574 PolarHBondContact O-N 2.75Å; T1571-Q1575 PolarHBondContact O-N 3.04Å; T1571-Q1575 VanDerWaalsContact O-N 3.07Å |
| 1572 | T | 84.6 | Confident | 81.3 | Confident | 55 Ų | 55 | 83.7 Ų | 83.7 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 171.9 | -52.2 | 0 | 0 | 0 | 0 | 111.1 | L1506 L1568 L1569 K1570 E1574 Q1575 L1576 | L1506-T1572 HydrophobicContact CD2-CG2 4.02Å; L1506-T1572 WeakPolarHBondContact CD2-OG1 3.37Å; L1568-T1572 WeakPolarHBondContact O-CB 3.05Å; L1568-T1572 PolarHBondContact O-N 2.85Å; L1568-T1572 PolarHBondContact O-OG1 2.68Å; L1569-T1572 WeakPolarHBondContact O-CB 2.89Å; L1569-T1572 PolarHBondContact O-N 2.56Å; K1570-T1572 VanDerWaalsContact C-N 3.32Å; K1570-T1572 PolarHBondContact O-N 2.83Å; T1572-E1574 VanDerWaalsContact C-N 3.3Å; T1572-E1574 PolarHBondContact O-N 2.75Å; T1572-Q1575 PolarHBondContact O-N 2.66Å; T1572-Q1575 VanDerWaalsContact O-N 3.11Å; T1572-L1576 PolarHBondContact O-N 2.7Å |
| 1573 | Q | 80.8 | Confident | 80.9 | Confident | 88 Ų | 88 | 85.4 Ų | 85.4 | 41% | 0.411 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 177.7 | -162.3 | 72.8 | 27.9 | 0 | 0 | 112.2 | L1569 K1570 T1577 | L1569-Q1573 PolarHBondContact O-N 2.78Å; K1570-Q1573 PolarHBondContact O-N 2.63Å; Q1573-T1577 PolarHBondContact O-N 2.87Å; Q1573-T1577 PolarHBondContact O-OG1 2.7Å |
| 1574 | E | 83.3 | Confident | 80.7 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.3 | -25.5 | 176.5 | -76.2 | 179.4 | -154.3 | 0 | 0 | 113.9 | K1570 T1571 T1572 K1578 | K1570-E1574 IonicContact NZ-OE1 2.64Å; K1570-E1574 PolarHBondContact NZ-OE1 3.17Å; K1570-E1574 WeakPolarHBondContact O-CG 3.3Å; K1570-E1574 PolarHBondContact O-N 2.73Å; T1571-E1574 PolarHBondContact O-N 2.75Å; T1572-E1574 VanDerWaalsContact C-N 3.3Å; T1572-E1574 PolarHBondContact O-N 2.75Å; E1574-K1578 VanDerWaalsContact O-CD 3.28Å; E1574-K1578 WeakPolarHBondContact O-CD 3.36Å; E1574-K1578 WeakPolarHBondContact O-CE 3.04Å; E1574-K1578 WeakPolarHBondContact O-CG 3.46Å |
| 1575 | Q | 82.3 | Confident | 80.2 | Confident | 75 Ų | 75 | 86 Ų | 86 | 35% | 0.35 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.8 | -50.8 | 169.9 | -73 | -169.1 | -11.9 | 0 | 0 | 110.7 | T1571 T1572 T1577 K1578 E1579 | T1571-Q1575 PolarHBondContact O-N 3.04Å; T1571-Q1575 VanDerWaalsContact O-N 3.07Å; T1572-Q1575 PolarHBondContact O-N 2.66Å; T1572-Q1575 VanDerWaalsContact O-N 3.11Å; Q1575-T1577 PolarHBondContact O-N 2.71Å; Q1575-T1577 VanDerWaalsContact O-N 3.13Å; Q1575-K1578 WeakPolarHBondContact O-CB 3.19Å; Q1575-K1578 PolarHBondContact O-N 3.33Å; Q1575-E1579 PolarHBondContact O-N 3.15Å |
| 1576 | L | 81.1 | Confident | 79.3 | Confident | 29 Ų | 29 | 89.1 Ų | 89.1 | 15% | 0.152 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -54.4 | -36.3 | 178.9 | -159.8 | 72.6 | 0 | 0 | 0 | 112.6 | T1572 E1579 K1580 | T1572-L1576 PolarHBondContact O-N 2.7Å; L1576-E1579 WeakPolarHBondContact O-CB 3.48Å; L1576-E1579 PolarHBondContact O-N 2.92Å; L1576-K1580 PolarHBondContact O-N 3.23Å |
| 1577 | T | 77.7 | Confident | 78.4 | Confident | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.454 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 176.6 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | Q1573 Q1575 E1579 K1580 D1581 | Q1573-T1577 PolarHBondContact O-N 2.87Å; Q1573-T1577 PolarHBondContact O-OG1 2.7Å; Q1575-T1577 PolarHBondContact O-N 2.71Å; Q1575-T1577 VanDerWaalsContact O-N 3.13Å; T1577-E1579 VanDerWaalsContact C-N 3.32Å; T1577-K1580 PolarHBondContact O-N 2.89Å; T1577-D1581 PolarHBondContact O-N 2.75Å; T1577-D1581 VanDerWaalsContact O-N 3.11Å |
| 1578 | K | 80.3 | Confident | 77.6 | Confident | 127 Ų | 127 | 89.8 Ų | 89.8 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.6 | -32.8 | 176.5 | -67.7 | 163.8 | -171.9 | 161.1 | 0 | 111.9 | E1574 Q1575 T1582 | E1574-K1578 VanDerWaalsContact O-CD 3.28Å; E1574-K1578 WeakPolarHBondContact O-CD 3.36Å; E1574-K1578 WeakPolarHBondContact O-CE 3.04Å; E1574-K1578 WeakPolarHBondContact O-CG 3.46Å; Q1575-K1578 WeakPolarHBondContact O-CB 3.19Å; Q1575-K1578 PolarHBondContact O-N 3.33Å; K1578-T1582 WeakPolarHBondContact O-CB 3.46Å; K1578-T1582 PolarHBondContact O-N 2.99Å; K1578-T1582 PolarHBondContact O-OG1 3.38Å |
| 1579 | E | 70.6 | Confident | 76.3 | Confident | 56 Ų | 56 | 93.2 Ų | 93.2 | 26% | 0.262 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.6 | -51.8 | 172.1 | -122.4 | 158.3 | -114.9 | 0 | 0 | 110.8 | R1503 Q1575 L1576 T1577 D1581 T1582 V1583 | R1503-E1579 IonicContact CZ-OE2 2.72Å; R1503-E1579 IonicContact NH2-OE1 3.18Å; R1503-E1579 IonicContact NH2-OE2 2.89Å; R1503-E1579 PolarHBondContact NH2-OE2 2.65Å; Q1575-E1579 PolarHBondContact O-N 3.15Å; L1576-E1579 WeakPolarHBondContact O-CB 3.48Å; L1576-E1579 PolarHBondContact O-N 2.92Å; T1577-E1579 VanDerWaalsContact C-N 3.32Å; E1579-D1581 VanDerWaalsContact C-N 3.35Å; E1579-D1581 PolarHBondContact O-N 2.68Å; E1579-T1582 WeakPolarHBondContact O-CA 3.02Å; E1579-T1582 WeakPolarHBondContact O-CB 3.26Å; E1579-T1582 PolarHBondContact O-N 2.73Å; E1579-V1583 WeakPolarHBondContact O-CG2 3.47Å; E1579-V1583 PolarHBondContact O-N 3.48Å |
| 1580 | K | 77.1 | Confident | 74.9 | Confident | 95 Ų | 95 | 96.5 Ų | 96.5 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.8 | -43.1 | 176.5 | -73.4 | -170.4 | 179 | -169.3 | 0 | 112.9 | E1442 Q1446 L1576 T1577 T1582 K1584 | E1442-K1580 IonicContact OE1-NZ 2.73Å; E1442-K1580 PolarHBondContact OE1-NZ 3.39Å; Q1446-K1580 VanDerWaalsContact OE1-CE 3.25Å; L1576-K1580 PolarHBondContact O-N 3.23Å; T1577-K1580 PolarHBondContact O-N 2.89Å; K1580-T1582 VanDerWaalsContact C-N 3.29Å; K1580-T1582 PolarHBondContact O-N 2.81Å; K1580-K1584 WeakPolarHBondContact O-CB 3.47Å; K1580-K1584 PolarHBondContact O-N 2.73Å |
| 1581 | D | 78 | Confident | 73.2 | Confident | 110 Ų | 110 | 92.8 Ų | 92.8 | 59% | 0.588 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.9 | -35.1 | 174.4 | -82.7 | -23.2 | 0 | 0 | 0 | 112.2 | T1577 E1579 K1585 | T1577-D1581 PolarHBondContact O-N 2.75Å; T1577-D1581 VanDerWaalsContact O-N 3.11Å; E1579-D1581 VanDerWaalsContact C-N 3.35Å; E1579-D1581 PolarHBondContact O-N 2.68Å; D1581-K1585 WeakPolarHBondContact O-CB 3.4Å; D1581-K1585 PolarHBondContact O-N 2.77Å; D1581-K1585 VanDerWaalsContact O-N 3.14Å |
| 1582 | T | 74.9 | Confident | 71.8 | Confident | 84 Ų | 84 | 97.5 Ų | 97.5 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.4 | -46.5 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | K1578 E1579 K1580 K1584 K1585 L1586 | K1578-T1582 WeakPolarHBondContact O-CB 3.46Å; K1578-T1582 PolarHBondContact O-N 2.99Å; K1578-T1582 PolarHBondContact O-OG1 3.38Å; E1579-T1582 WeakPolarHBondContact O-CA 3.02Å; E1579-T1582 WeakPolarHBondContact O-CB 3.26Å; E1579-T1582 PolarHBondContact O-N 2.73Å; K1580-T1582 VanDerWaalsContact C-N 3.29Å; K1580-T1582 PolarHBondContact O-N 2.81Å; T1582-K1584 PolarHBondContact O-N 2.72Å; T1582-K1585 WeakPolarHBondContact O-CB 3.34Å; T1582-K1585 PolarHBondContact O-N 3.48Å; T1582-K1585 VanDerWaalsContact O-N 3.11Å; T1582-L1586 PolarHBondContact O-N 2.86Å; T1582-L1586 VanDerWaalsContact O-N 3.07Å |
| 1583 | V | 70.1 | Confident | 70.1 | Confident | 92 Ų | 92 | 98.8 Ų | 98.8 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.7 | -46.5 | 175 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | E1579 K1585 L1586 Q1587 | E1579-V1583 WeakPolarHBondContact O-CG2 3.47Å; E1579-V1583 PolarHBondContact O-N 3.48Å; V1583-K1585 VanDerWaalsContact C-N 3.25Å; V1583-K1585 PolarHBondContact O-N 2.75Å; V1583-L1586 PolarHBondContact O-N 2.94Å; V1583-Q1587 PolarHBondContact O-N 2.81Å |
| 1584 | K | 77.7 | Confident | 68.4 | Low | 119 Ų | 119 | 102.6 Ų | 102.6 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.3 | -38.4 | 175.8 | -173.8 | -174.9 | 173.8 | -166.9 | 0 | 112.1 | K1580 T1582 Q1587 E1588 | K1580-K1584 WeakPolarHBondContact O-CB 3.47Å; K1580-K1584 PolarHBondContact O-N 2.73Å; T1582-K1584 PolarHBondContact O-N 2.72Å; K1584-Q1587 PolarHBondContact O-N 2.64Å; K1584-E1588 IonicContact NZ-OE1 2.61Å; K1584-E1588 PolarHBondContact O-N 3.26Å |
| 1585 | K | 75.3 | Confident | 66.4 | Low | 143 Ų | 143 | 106.1 Ų | 106.1 | 62% | 0.622 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.2 | -32.6 | 179.6 | -150.3 | 174.2 | -170 | 179.3 | 0 | 112.9 | D1581 T1582 V1583 Q1589 | D1581-K1585 WeakPolarHBondContact O-CB 3.4Å; D1581-K1585 PolarHBondContact O-N 2.77Å; D1581-K1585 VanDerWaalsContact O-N 3.14Å; T1582-K1585 WeakPolarHBondContact O-CB 3.34Å; T1582-K1585 PolarHBondContact O-N 3.48Å; T1582-K1585 VanDerWaalsContact O-N 3.11Å; V1583-K1585 VanDerWaalsContact C-N 3.25Å; V1583-K1585 PolarHBondContact O-N 2.75Å; K1585-Q1589 WeakPolarHBondContact O-CG 3.39Å; K1585-Q1589 PolarHBondContact O-N 3.46Å |
| 1586 | L | 66.6 | Low | 64.3 | Low | 100 Ų | 100 | 106.2 Ų | 106.2 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.6 | -40.7 | 171.1 | -67.3 | 168.8 | 0 | 0 | 0 | 111.1 | T1582 V1583 E1588 Q1589 L1590 | T1582-L1586 PolarHBondContact O-N 2.86Å; T1582-L1586 VanDerWaalsContact O-N 3.07Å; V1583-L1586 PolarHBondContact O-N 2.94Å; L1586-E1588 PolarHBondContact O-N 3.24Å; L1586-Q1589 WeakPolarHBondContact O-CB 3.22Å; L1586-Q1589 PolarHBondContact O-N 3.2Å; L1586-L1590 PolarHBondContact O-N 2.8Å |
| 1587 | Q | 63.6 | Low | 62.3 | Low | 141 Ų | 141 | 110.2 Ų | 110.2 | 66% | 0.659 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.6 | -39.1 | 175.8 | -160.6 | 174.1 | 27.5 | 0 | 0 | 112.4 | V1583 K1584 Q1589 L1590 G1591 | V1583-Q1587 PolarHBondContact O-N 2.81Å; K1584-Q1587 PolarHBondContact O-N 2.64Å; Q1587-Q1589 VanDerWaalsContact C-N 3.27Å; Q1587-Q1589 PolarHBondContact O-N 3.38Å; Q1587-L1590 PolarHBondContact O-N 2.78Å; Q1587-G1591 PolarHBondContact O-N 3.32Å |
| 1588 | E | 67.8 | Low | 60.3 | Low | 102 Ų | 102 | 111.9 Ų | 111.9 | 48% | 0.477 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.3 | -20.8 | 171.1 | -86.7 | -175.9 | -162.5 | 0 | 0 | 114.1 | K1584 L1586 K1592 | K1584-E1588 IonicContact NZ-OE1 2.61Å; K1584-E1588 PolarHBondContact O-N 3.26Å; L1586-E1588 PolarHBondContact O-N 3.24Å; E1588-K1592 WeakPolarHBondContact O-CG 3.36Å |
| 1589 | Q | 60 | Low | 58.3 | Low | 132 Ų | 132 | 111 Ų | 111 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -82.3 | -41.8 | 173.8 | -75.4 | 177.8 | 13.8 | 0 | 0 | 111.5 | K1585 L1586 Q1587 K1592 | K1585-Q1589 WeakPolarHBondContact O-CG 3.39Å; K1585-Q1589 PolarHBondContact O-N 3.46Å; L1586-Q1589 WeakPolarHBondContact O-CB 3.22Å; L1586-Q1589 PolarHBondContact O-N 3.2Å; Q1587-Q1589 VanDerWaalsContact C-N 3.27Å; Q1587-Q1589 PolarHBondContact O-N 3.38Å; Q1589-K1592 PolarHBondContact O-N 2.83Å |
| 1590 | L | 54.3 | Low | 56.9 | Low | 135 Ų | 135 | 117.8 Ų | 117.8 | 71% | 0.707 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.1 | -47.4 | 174.3 | -75.7 | 165.3 | 0 | 0 | 0 | 111.9 | L1586 Q1587 K1592 A1593 | L1586-L1590 PolarHBondContact O-N 2.8Å; Q1587-L1590 PolarHBondContact O-N 2.78Å; L1590-K1592 PolarHBondContact O-N 3.13Å; L1590-A1593 WeakPolarHBondContact O-CB 3.23Å; L1590-A1593 PolarHBondContact O-N 2.95Å; L1590-A1593 VanDerWaalsContact O-N 3.09Å |
| 1591 | G | 52.4 | Low | 54.9 | Low | 45 Ų | 45 | 123 Ų | 123 | 46% | 0.464 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.7 | -12.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q1587 | Q1587-G1591 PolarHBondContact O-N 3.32Š|
| 1592 | K | 50.5 | Low | 53.1 | Low | 166 Ų | 166 | 121.3 Ų | 121.3 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 2.3 | 176.7 | -77 | 178.8 | 179.2 | 172.5 | 0 | 114.5 | E1588 Q1589 L1590 | E1588-K1592 WeakPolarHBondContact O-CG 3.36Å; Q1589-K1592 PolarHBondContact O-N 2.83Å; L1590-K1592 PolarHBondContact O-N 3.13Å |
| 1593 | A | 47.4 | Very low | 51.3 | Low | 82 Ų | 82 | 124.5 Ų | 124.5 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -85.4 | -28.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1590 | L1590-A1593 WeakPolarHBondContact O-CB 3.23Å; L1590-A1593 PolarHBondContact O-N 2.95Å; L1590-A1593 VanDerWaalsContact O-N 3.09Å |
| 1594 | E | 44.7 | Very low | 49.4 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -94.8 | -20.4 | -168.8 | -66.1 | -166.3 | 124.9 | 0 | 0 | 115.6 | G1596 | E1594-G1596 PolarHBondContact O-N 2.94Š|
| 1595 | D | 41.8 | Very low | 47.5 | Very low | 153 Ų | 153 | 130 Ų | 130 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 9.7 | 176.4 | -86.8 | -29.3 | 0 | 0 | 0 | 114 | ||
| 1596 | G | 38.3 | Very low | 46.1 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -0.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | E1594 | E1594-G1596 PolarHBondContact O-N 2.94Š|
| 1597 | S | 38.5 | Very low | 45 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -133.3 | 78.7 | -176.1 | -164.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1598 | S | 35.5 | Very low | 44 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -132.4 | 108.3 | 160.5 | 58 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1599 | S | 40 | Very low | 42.6 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -153.5 | 95 | 174.1 | -86.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1600 | K | 40.1 | Very low | 41.5 | Very low | 198 Ų | 198 | 131.9 Ų | 131.9 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | 61.9 | 89.2 | 144.8 | -56.5 | 173.3 | -176.2 | 173.9 | 0 | 116.9 | ||||
| 1601 | E | 36.3 | Very low | 40.6 | Very low | 204 Ų | 204 | 131.7 Ų | 131.7 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | trans | -60.1 | 142.9 | 134.8 | -62.8 | -178.8 | 135.5 | 0 | 0 | 109.1 | ||||
| 1602 | G | 39.2 | Very low | 39.8 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | trans | -163.8 | 103.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1603 | T | 36.8 | Very low | 39 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 93% | 0.926 | 84% | 0.844 | S | S | * | * | trans | -122.2 | 87.2 | -179 | -56 | 0 | 0 | 0 | 0 | 110 | ||||
| 1604 | S | 31.4 | Very low | 38.3 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 86% | 0.858 | S | S | * | * | trans | -166.9 | 124.8 | 166.8 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1605 | V | 36.4 | Very low | 37.7 | Very low | 216 Ų | 216 | 137.7 Ų | 137.7 | 100% | 1.309 | 87% | 0.865 | S | S | * | * | trans | 37.1 | 0 | 162.6 | -168.8 | 0 | 0 | 0 | 0 | 116.3 |
Retrieved 1,605 of 1,605 residues in 237.6 ms
(Link to these results)