| 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 | 26.5 | Very low | 25.9 | Very low | 233 Ų | 233 | 169 Ų | 169 | 100% | 1.148 | 77% | 0.768 | S | S | * | * | 0 | 142.2 | 0 | -76.2 | -67.6 | -129.1 | 0 | 0 | 108.5 | |||||
| 2 | H | 24 | Very low | 25.9 | Very low | 177 Ų | 177 | 160.2 Ų | 160.2 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | trans | 42.2 | 94.2 | 178.8 | -77.6 | -75.4 | 0 | 0 | 0 | 118.3 | ||||
| 3 | Q | 25.4 | Very low | 25.9 | Very low | 189 Ų | 189 | 162.8 Ų | 162.8 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -125.2 | 119.5 | 136 | -87.2 | -172.7 | -18.1 | 0 | 0 | 108.3 | ||||
| 4 | E | 26.3 | Very low | 26 | Very low | 140 Ų | 140 | 167.3 Ų | 167.3 | 65% | 0.654 | 77% | 0.772 | S | S | * | * | trans | -78 | 122.7 | 171.2 | -66.6 | -169.5 | 126.9 | 0 | 0 | 109.6 | R6 | E4-R6 VanDerWaalsContact C-N 3.27Å; E4-R6 HydrophobicContact CB-CG 4.42Å; E4-R6 PolarHBondContact O-N 3.37Å; E4-R6 IonicContact OE2-NE 3.37Å | ||
| 5 | F | 27.2 | Very low | 26.3 | Very low | 183 Ų | 183 | 164.5 Ų | 164.5 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | trans | -68.3 | 88.3 | 162.5 | -100.8 | -89.3 | 0 | 0 | 0 | 109.3 | L7 | F5-L7 HydrophobicContact CB-CD1 4.46Å; F5-L7 HydrophobicContact CB-CG 4.3Å; F5-L7 HydrophobicContact CD1-CD2 4.34Å; F5-L7 HydrophobicContact CD1-CG 4.34Å; F5-L7 PolarHBondContact O-N 3.45Å | ||
| 6 | R | 25.5 | Very low | 27 | Very low | 203 Ų | 203 | 159.8 Ų | 159.8 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -69.7 | 71 | 173.5 | -79.3 | -168.7 | 172.4 | -171.3 | 2.1 | 111.2 | E4 R8 | E4-R6 VanDerWaalsContact C-N 3.27Å; E4-R6 HydrophobicContact CB-CG 4.42Å; E4-R6 PolarHBondContact O-N 3.37Å; E4-R6 IonicContact OE2-NE 3.37Å; R6-R8 PolarHBondContact O-N 3.16Å | ||
| 7 | L | 28.2 | Very low | 27.9 | Very low | 99 Ų | 99 | 153.6 Ų | 153.6 | 52% | 0.518 | 75% | 0.749 | S | S | . | * | trans | -74.4 | 36 | 174.7 | -69.5 | 172.4 | 0 | 0 | 0 | 112.9 | F5 R21 | F5-L7 HydrophobicContact CB-CD1 4.46Å; F5-L7 HydrophobicContact CB-CG 4.3Å; F5-L7 HydrophobicContact CD1-CD2 4.34Å; F5-L7 HydrophobicContact CD1-CG 4.34Å; F5-L7 PolarHBondContact O-N 3.45Å; L7-R21 PolarHBondContact O-NH1 2.91Å | ||
| 8 | R | 23.7 | Very low | 28.9 | Very low | 207 Ų | 207 | 148.5 Ų | 148.5 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | -77.3 | 164.3 | 165.7 | -69.3 | -174.7 | 178.4 | -179.1 | 1.5 | 109.2 | R6 | R6-R8 PolarHBondContact O-N 3.16Š| ||
| 9 | D | 24.8 | Very low | 30.3 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 52% | 0.519 | 72% | 0.717 | S | S | . | * | trans | 71.2 | 57.2 | 172.4 | -51.4 | -36.6 | 0 | 0 | 0 | 117.8 | ||||
| 10 | L | 28.6 | Very low | 31.7 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 71% | 0.712 | 70% | 0.699 | S | S | * | * | trans | -114.6 | 49.7 | 143.9 | -83.4 | 172.6 | 0 | 0 | 0 | 110.8 | G12 | L10-G12 PolarHBondContact O-N 3.4Š| ||
| 11 | K | 24.6 | Very low | 32.9 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 52.6 | 176 | -72 | 178.5 | 176.9 | 166 | 0 | 112.1 | ||
| 12 | G | 26.3 | Very low | 34.7 | Very low | 63 Ų | 63 | 133 Ų | 133 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.2 | -13.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | L10 | L10-G12 PolarHBondContact O-N 3.4Š|
| 13 | F | 26.1 | Very low | 36.7 | Very low | 194 Ų | 194 | 124.7 Ų | 124.7 | 85% | 0.851 | 62% | 0.615 | S | S | * | * | trans | -133 | 139.7 | -178.2 | -87.1 | -92.3 | 0 | 0 | 0 | 112.5 | ||||
| 14 | R | 27 | Very low | 38.7 | Very low | 226 Ų | 226 | 116.9 Ų | 116.9 | 85% | 0.853 | 58% | 0.58 | S | S | * | * | trans | -63.2 | 140.5 | 164.7 | -73.8 | -177.1 | 174.5 | -178.8 | -1.2 | 108.9 | T16 | R14-T16 PolarHBondContact O-N 3.23Š| ||
| 15 | P | 30.6 | Very low | 40.6 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 82% | 0.818 | 58% | 0.578 | S | S | * | * | trans | -72.5 | 88.2 | -178.7 | 29.9 | -35.2 | 0 | 0 | 0 | 111.2 | ||||
| 16 | T | 37.9 | Very low | 42.8 | Very low | 89 Ų | 89 | 110.4 Ų | 110.4 | 55% | 0.546 | 56% | 0.558 | S | S | . | * | trans | -69.3 | 143.3 | 159 | 54.8 | 0 | 0 | 0 | 0 | 108.7 | R14 A18 | R14-T16 PolarHBondContact O-N 3.23Å; T16-A18 PolarHBondContact O-N 3.37Å | ||
| 17 | G | 41.3 | Very low | 44.9 | Very low | 55 Ų | 55 | 102.3 Ų | 102.3 | 57% | 0.567 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 25.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 18 | A | 46.7 | Very low | 47 | Very low | 61 Ų | 61 | 106.2 Ų | 106.2 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 2.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | T16 | T16-A18 PolarHBondContact O-N 3.37Š|
| 19 | S | 55.7 | Low | 49.2 | Very low | 56 Ų | 56 | 98 Ų | 98 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | trans | -71.7 | 144.6 | -176.9 | 91.4 | 0 | 0 | 0 | 0 | 112.7 | R21 Y22 S23 | S19-R21 PolarHBondContact O-N 2.94Å; S19-Y22 PolarHBondContact O-N 2.89Å; S19-Y22 WeakPolarHBondContact OG-CB 3.24Å; S19-Y22 PolarHBondContact OG-N 3.13Å; S19-Y22 VanDerWaalsContact OG-N 3.16Å; S19-S23 PolarHBondContact O-N 3.24Å; S19-S23 PolarHBondContact O-OG 2.78Å | ||
| 20 | L | 58.4 | Low | 51.3 | Low | 68 Ų | 68 | 97.1 Ų | 97.1 | 36% | 0.356 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | -179.1 | -67.8 | 166.4 | 0 | 0 | 0 | 111.5 | S23 V24 N77 L81 | L20-S23 WeakPolarHBondContact O-CB 3.29Å; L20-S23 PolarHBondContact O-N 3.25Å; L20-V24 PolarHBondContact O-N 3.43Å; L20-N77 HydrophobicContact CD2-CB 3.93Å; L20-N77 WeakPolarHBondContact CD2-O 3.45Å; L20-L81 HydrophobicContact CB-CD1 4.14Å; L20-L81 HydrophobicContact CB-CD2 4.06Å; L20-L81 HydrophobicContact CB-CG 4.26Å; L20-L81 HydrophobicContact CD1-CD2 4.1Å; L20-L81 HydrophobicContact CD2-CD2 4.49Å; L20-L81 HydrophobicContact CD2-CG 4.31Å; L20-L81 HydrophobicContact CG-CD2 4.45Å |
| 21 | R | 56.4 | Low | 53.3 | Low | 116 Ų | 116 | 93.3 Ų | 93.3 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.5 | -60.8 | -169.9 | -165.1 | 176.5 | 5.2 | 112.3 | L7 S19 S23 V24 T25 | L7-R21 PolarHBondContact O-NH1 2.91Å; S19-R21 PolarHBondContact O-N 2.94Å; R21-S23 VanDerWaalsContact C-N 3.26Å; R21-S23 PolarHBondContact O-N 3.28Å; R21-V24 PolarHBondContact O-N 2.87Å; R21-T25 PolarHBondContact O-N 3.45Å; R21-T25 VanDerWaalsContact O-N 3.15Å; R21-T25 PolarHBondContact O-OG1 3.35Å |
| 22 | Y | 64 | Low | 55.2 | Low | 113 Ų | 113 | 93.1 Ų | 93.1 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 176.7 | -177.8 | -102 | 0 | 0 | 0 | 111.4 | S19 V24 T25 F26 | S19-Y22 PolarHBondContact O-N 2.89Å; S19-Y22 WeakPolarHBondContact OG-CB 3.24Å; S19-Y22 PolarHBondContact OG-N 3.13Å; S19-Y22 VanDerWaalsContact OG-N 3.16Å; Y22-V24 PolarHBondContact O-N 3.22Å; Y22-T25 WeakPolarHBondContact CA-OG1 3.41Å; Y22-T25 PolarHBondContact O-N 3.23Å; Y22-T25 PolarHBondContact O-OG1 3.06Å; Y22-F26 HydrophobicContact CE1-CB 4.35Å; Y22-F26 WeakPolarHBondContact O-CB 3.3Å; Y22-F26 PolarHBondContact O-N 3.39Å |
| 23 | S | 66.5 | Low | 57.3 | Low | 3 Ų | 3 | 95.8 Ų | 95.8 | 2% | 0.021 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 177.7 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | S19 L20 R21 L27 N77 | S19-S23 PolarHBondContact O-N 3.24Å; S19-S23 PolarHBondContact O-OG 2.78Å; L20-S23 WeakPolarHBondContact O-CB 3.29Å; L20-S23 PolarHBondContact O-N 3.25Å; R21-S23 VanDerWaalsContact C-N 3.26Å; R21-S23 PolarHBondContact O-N 3.28Å; S23-L27 WeakPolarHBondContact O-CG 3.25Å; S23-L27 PolarHBondContact O-N 3.21Å; S23-N77 WeakPolarHBondContact OG-CB 3.06Å; S23-N77 PolarHBondContact OG-ND2 2.92Å; S23-N77 VanDerWaalsContact OG-ND2 3.1Å |
| 24 | V | 66.2 | Low | 59.6 | Low | 24 Ų | 24 | 92.6 Ų | 92.6 | 15% | 0.145 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.6 | -48.9 | 174.1 | 179.2 | 0 | 0 | 0 | 0 | 111 | L20 R21 Y22 F26 L27 Q28 I29 L31 V78 L81 | L20-V24 PolarHBondContact O-N 3.43Å; R21-V24 PolarHBondContact O-N 2.87Å; Y22-V24 PolarHBondContact O-N 3.22Å; V24-F26 VanDerWaalsContact C-N 3.33Å; V24-F26 PolarHBondContact O-N 3.18Å; V24-L27 PolarHBondContact O-N 3.13Å; V24-Q28 PolarHBondContact O-N 3.32Å; V24-Q28 VanDerWaalsContact O-N 3.14Å; V24-I29 PolarHBondContact O-N 3.37Å; V24-L31 HydrophobicContact CG1-CD1 4.08Å; V24-L31 HydrophobicContact CG1-CG 4.25Å; V24-L31 HydrophobicContact CG2-CD1 4.16Å; V24-V78 HydrophobicContact CG2-CG2 3.85Å; V24-L81 HydrophobicContact CG2-CD1 3.49Å; V24-L81 VanDerWaalsContact CG2-CD1 3.49Å |
| 25 | T | 66.6 | Low | 62 | Low | 98 Ų | 98 | 83.3 Ų | 83.3 | 60% | 0.601 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.4 | -33.2 | -179.5 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | R21 Y22 Q28 | R21-T25 PolarHBondContact O-N 3.45Å; R21-T25 VanDerWaalsContact O-N 3.15Å; R21-T25 PolarHBondContact O-OG1 3.35Å; Y22-T25 WeakPolarHBondContact CA-OG1 3.41Å; Y22-T25 PolarHBondContact O-N 3.23Å; Y22-T25 PolarHBondContact O-OG1 3.06Å; T25-Q28 PolarHBondContact O-N 3.45Å |
| 26 | F | 73.4 | Confident | 64.2 | Low | 90 Ų | 90 | 79.5 Ų | 79.5 | 40% | 0.395 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.5 | -31.5 | 179.3 | 177.8 | -107.3 | 0 | 0 | 0 | 112.6 | Y22 V24 R71 A74 | Y22-F26 HydrophobicContact CE1-CB 4.35Å; Y22-F26 WeakPolarHBondContact O-CB 3.3Å; Y22-F26 PolarHBondContact O-N 3.39Å; V24-F26 VanDerWaalsContact C-N 3.33Å; V24-F26 PolarHBondContact O-N 3.18Å; F26-R71 HydrophobicContact CE1-CG 4.05Å; F26-R71 HydrophobicContact CZ-CG 4.48Å; F26-A74 HydrophobicContact CD1-CB 3.94Å; F26-A74 HydrophobicContact CE1-CB 4.48Å |
| 27 | L | 70 | Confident | 66.2 | Low | 33 Ų | 33 | 81.7 Ų | 81.7 | 17% | 0.173 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -95 | -3.2 | 178.1 | -65.2 | 175.6 | 0 | 0 | 0 | 114 | S23 V24 I29 A74 R75 V78 | S23-L27 WeakPolarHBondContact O-CG 3.25Å; S23-L27 PolarHBondContact O-N 3.21Å; V24-L27 PolarHBondContact O-N 3.13Å; L27-I29 HydrophobicContact CB-CD1 3.77Å; L27-I29 HydrophobicContact CB-CG1 3.8Å; L27-I29 HydrophobicContact CD1-CD1 3.94Å; L27-I29 PolarHBondContact O-N 3.26Å; L27-A74 HydrophobicContact CD1-CB 3.72Å; L27-A74 HydrophobicContact CD2-CB 4.3Å; L27-A74 HydrophobicContact CG-CB 3.91Å; L27-R75 HydrophobicContact CD1-CB 4.31Å; L27-R75 HydrophobicContact CD1-CG 3.69Å; L27-R75 HydrophobicContact CD2-CG 4.41Å; L27-V78 HydrophobicContact CD1-CG2 4.27Å |
| 28 | Q | 73.1 | Confident | 68.1 | Low | 180 Ų | 180 | 79.7 Ų | 79.7 | 84% | 0.841 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 34.2 | -177.9 | -58.6 | -176.5 | -12.4 | 0 | 0 | 114 | V24 T25 | V24-Q28 PolarHBondContact O-N 3.32Å; V24-Q28 VanDerWaalsContact O-N 3.14Å; T25-Q28 PolarHBondContact O-N 3.45Å |
| 29 | I | 69.3 | Low | 69.8 | Low | 36 Ų | 36 | 77 Ų | 77 | 19% | 0.185 | 37% | 0.369 | C | S | . | . | trans | -84.7 | 118.9 | -177.4 | -63.7 | 175.3 | 0 | 0 | 0 | 110.3 | V24 L27 L31 V38 L42 V78 | V24-I29 PolarHBondContact O-N 3.37Å; L27-I29 HydrophobicContact CB-CD1 3.77Å; L27-I29 HydrophobicContact CB-CG1 3.8Å; L27-I29 HydrophobicContact CD1-CD1 3.94Å; L27-I29 PolarHBondContact O-N 3.26Å; I29-L31 HydrophobicContact CG2-CD2 4.19Å; I29-L31 PolarHBondContact O-N 2.92Å; I29-V38 HydrophobicContact CG2-CG1 3.82Å; I29-L42 HydrophobicContact CD1-CD2 3.59Å; I29-L42 HydrophobicContact CD1-CG 4.31Å; I29-V78 HydrophobicContact CD1-CG1 4.27Å | ||
| 30 | D | 69.3 | Low | 71 | Confident | 78 Ų | 78 | 75.7 Ų | 75.7 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | trans | -78.8 | 110.4 | 170.1 | -177.2 | 10.8 | 0 | 0 | 0 | 111.1 | K32 | D30-K32 PolarHBondContact O-N 3.46Å; D30-K32 VanDerWaalsContact OD1-CB 3.31Å; D30-K32 WeakPolarHBondContact OD1-CB 3.48Å; D30-K32 WeakPolarHBondContact OD1-CG 3.46Å; D30-K32 PolarHBondContact OD1-N 2.9Å | ||
| 31 | L | 69.1 | Low | 72.1 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 29% | 0.293 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 8.8 | 178.1 | -60.4 | 176 | 0 | 0 | 0 | 113.6 | V24 I29 V78 I82 R85 | V24-L31 HydrophobicContact CG1-CD1 4.08Å; V24-L31 HydrophobicContact CG1-CG 4.25Å; V24-L31 HydrophobicContact CG2-CD1 4.16Å; I29-L31 HydrophobicContact CG2-CD2 4.19Å; I29-L31 PolarHBondContact O-N 2.92Å; L31-V78 HydrophobicContact CD2-CG1 4.32Å; L31-I82 HydrophobicContact CD2-CD1 3.7Å; L31-I82 HydrophobicContact CD2-CG1 3.96Å; L31-R85 PolarHBondContact O-NH1 3.21Å |
| 32 | K | 66 | Low | 73.4 | Confident | 190 Ų | 190 | 70.3 Ų | 70.3 | 83% | 0.826 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -13.3 | 172.3 | -64.7 | 178.7 | 176.8 | -179.5 | 0 | 114.3 | D30 | D30-K32 PolarHBondContact O-N 3.46Å; D30-K32 VanDerWaalsContact OD1-CB 3.31Å; D30-K32 WeakPolarHBondContact OD1-CB 3.48Å; D30-K32 WeakPolarHBondContact OD1-CG 3.46Å; D30-K32 PolarHBondContact OD1-N 2.9Å |
| 33 | K | 70.6 | Confident | 74.3 | Confident | 120 Ų | 120 | 65.3 Ų | 65.3 | 52% | 0.522 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -80.1 | 160 | 179.8 | -62.3 | -173.2 | 178.9 | -173.8 | 0 | 111.9 | T35 V38 | K33-T35 PolarHBondContact O-N 3.38Å; K33-V38 HydrophobicContact CB-CG2 3.85Å |
| 34 | D | 72.7 | Confident | 75 | Confident | 127 Ų | 127 | 68.1 Ų | 68.1 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | trans | -50.9 | 129.3 | -174.8 | -56.5 | -37.1 | 0 | 0 | 0 | 113 | F36 Y37 V38 | D34-F36 VanDerWaalsContact C-N 3.27Å; D34-F36 PolarHBondContact O-N 3.35Å; D34-F36 VanDerWaalsContact O-N 3.16Å; D34-Y37 WeakPolarHBondContact O-CA 3.4Å; D34-Y37 WeakPolarHBondContact O-CB 3.05Å; D34-Y37 PolarHBondContact O-N 2.78Å; D34-V38 PolarHBondContact O-N 3.12Å | ||
| 35 | T | 77.6 | Confident | 75.7 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.3 | -42.6 | -172.9 | -52.9 | 0 | 0 | 0 | 0 | 112.6 | K33 V38 L39 I82 R85 V86 | K33-T35 PolarHBondContact O-N 3.38Å; T35-V38 PolarHBondContact O-N 2.76Å; T35-L39 VanDerWaalsContact O-CB 3.24Å; T35-L39 WeakPolarHBondContact O-CB 3.42Å; T35-L39 PolarHBondContact O-N 2.94Å; T35-I82 HydrophobicContact CG2-CG2 3.81Å; T35-R85 HydrophobicContact CG2-CB 4.04Å; T35-V86 HydrophobicContact CG2-CB 4.5Å; T35-V86 HydrophobicContact CG2-CG2 3.97Å |
| 36 | F | 77.9 | Confident | 76.4 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.9 | -34.7 | 178.4 | -62.6 | -63.6 | 0 | 0 | 0 | 113.2 | D34 N40 A89 V90 L96 L100 L2347 | D34-F36 VanDerWaalsContact C-N 3.27Å; D34-F36 PolarHBondContact O-N 3.35Å; D34-F36 VanDerWaalsContact O-N 3.16Å; F36-N40 WeakPolarHBondContact O-CB 3.28Å; F36-N40 PolarHBondContact O-N 3.12Å; F36-A89 HydrophobicContact CE2-CB 3.88Å; F36-A89 HydrophobicContact CZ-CB 3.74Å; F36-V90 HydrophobicContact CE1-CG2 3.8Å; F36-V90 HydrophobicContact CZ-CG2 4.04Å; F36-L96 HydrophobicContact CD1-CD2 4.26Å; F36-L96 HydrophobicContact CE1-CD2 3.63Å; F36-L96 HydrophobicContact CZ-CD2 3.88Å; F36-L100 HydrophobicContact CD1-CD1 3.89Å; F36-L100 HydrophobicContact CE1-CD1 3.7Å; F36-L2347 HydrophobicContact CB-CD2 4.04Å; F36-L2347 HydrophobicContact CD1-CD2 4.19Å; F36-L2347 HydrophobicContact CG-CD2 4.13Å |
| 37 | Y | 79.1 | Confident | 76.8 | Confident | 135 Ų | 135 | 60 Ų | 60 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.4 | -43.5 | 175.3 | -179.7 | -99.4 | 0 | 0 | 0 | 111.2 | D34 N41 | D34-Y37 WeakPolarHBondContact O-CA 3.4Å; D34-Y37 WeakPolarHBondContact O-CB 3.05Å; D34-Y37 PolarHBondContact O-N 2.78Å; Y37-N41 WeakPolarHBondContact CD1-ND2 3.49Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.34Å; Y37-N41 WeakPolarHBondContact CE2-ND2 3.29Å; Y37-N41 WeakPolarHBondContact O-CB 3.42Å; Y37-N41 PolarHBondContact O-N 3.21Å; Y37-N41 VanDerWaalsContact O-N 3.1Å; Y37-N41 PolarHBondContact O-ND2 3.48Å |
| 38 | V | 80.7 | Confident | 77.4 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 176.4 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | I29 K33 D34 T35 N41 L42 I82 | I29-V38 HydrophobicContact CG2-CG1 3.82Å; K33-V38 HydrophobicContact CB-CG2 3.85Å; D34-V38 PolarHBondContact O-N 3.12Å; T35-V38 PolarHBondContact O-N 2.76Å; V38-N41 PolarHBondContact O-N 3.15Å; V38-L42 HydrophobicContact CG1-CD1 4.06Å; V38-L42 WeakPolarHBondContact O-CB 3.17Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 3.23Å; V38-I82 HydrophobicContact CB-CD1 4.39Å; V38-I82 HydrophobicContact CG1-CD1 3.47Å; V38-I82 VanDerWaalsContact CG1-CD1 3.47Å |
| 39 | L | 83 | Confident | 77.7 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -52.7 | 174.9 | 179.1 | 64 | 0 | 0 | 0 | 111.9 | T35 N41 L42 L43 L79 V86 L100 | T35-L39 VanDerWaalsContact O-CB 3.24Å; T35-L39 WeakPolarHBondContact O-CB 3.42Å; T35-L39 PolarHBondContact O-N 2.94Å; L39-N41 VanDerWaalsContact C-N 3.31Å; L39-N41 PolarHBondContact O-N 3.04Å; L39-L42 WeakPolarHBondContact O-CB 3.21Å; L39-L42 PolarHBondContact O-N 3.17Å; L39-L42 VanDerWaalsContact O-N 3.09Å; L39-L43 HydrophobicContact CD1-CD1 4.01Å; L39-L43 HydrophobicContact CD1-CD2 4.43Å; L39-L43 HydrophobicContact CD1-CG 4.02Å; L39-L43 HydrophobicContact CG-CD1 4.03Å; L39-L43 HydrophobicContact CG-CG 4.35Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 3.34Å; L39-L79 HydrophobicContact CD1-CD1 3.41Å; L39-L79 VanDerWaalsContact CD1-CD1 3.41Å; L39-V86 HydrophobicContact CD2-CG1 4.02Å; L39-V86 HydrophobicContact CD2-CG2 4.27Å; L39-L100 HydrophobicContact CD2-CD1 3.85Å; L39-L100 HydrophobicContact CD2-CD2 3.92Å; L39-L100 HydrophobicContact CD2-CG 3.99Å |
| 40 | N | 81.7 | Confident | 78.1 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.4 | -42.9 | -179.7 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | F36 L42 L43 K44 L2347 | F36-N40 WeakPolarHBondContact O-CB 3.28Å; F36-N40 PolarHBondContact O-N 3.12Å; N40-L42 PolarHBondContact O-N 3.49Å; N40-L43 PolarHBondContact O-N 3.3Å; N40-K44 WeakPolarHBondContact O-CB 3.28Å; N40-K44 WeakPolarHBondContact O-CG 3.4Å; N40-K44 PolarHBondContact O-N 3.46Å; N40-K44 VanDerWaalsContact OD1-CE 3.29Å; N40-K44 WeakPolarHBondContact OD1-CE 3.34Å; N40-L2347 HydrophobicContact CB-CD1 4.45Å |
| 41 | N | 81.2 | Confident | 78.3 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.5 | -30.5 | 176.6 | -74.8 | -57.8 | 0 | 0 | 0 | 114 | Y37 V38 L39 G45 | Y37-N41 WeakPolarHBondContact CD1-ND2 3.49Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.34Å; Y37-N41 WeakPolarHBondContact CE2-ND2 3.29Å; Y37-N41 WeakPolarHBondContact O-CB 3.42Å; Y37-N41 PolarHBondContact O-N 3.21Å; Y37-N41 VanDerWaalsContact O-N 3.1Å; Y37-N41 PolarHBondContact O-ND2 3.48Å; V38-N41 PolarHBondContact O-N 3.15Å; L39-N41 VanDerWaalsContact C-N 3.31Å; L39-N41 PolarHBondContact O-N 3.04Å; N41-G45 WeakPolarHBondContact O-CA 3.44Å; N41-G45 PolarHBondContact O-N 2.88Å |
| 42 | L | 82.8 | Confident | 78.4 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.3 | -46.8 | 171.1 | -79.9 | 165.3 | 0 | 0 | 0 | 111.5 | I29 V38 L39 N40 G45 I46 R75 V78 I82 | I29-L42 HydrophobicContact CD1-CD2 3.59Å; I29-L42 HydrophobicContact CD1-CG 4.31Å; V38-L42 HydrophobicContact CG1-CD1 4.06Å; V38-L42 WeakPolarHBondContact O-CB 3.17Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 3.23Å; L39-L42 WeakPolarHBondContact O-CB 3.21Å; L39-L42 PolarHBondContact O-N 3.17Å; L39-L42 VanDerWaalsContact O-N 3.09Å; N40-L42 PolarHBondContact O-N 3.49Å; L42-G45 WeakPolarHBondContact O-CA 3.49Å; L42-G45 PolarHBondContact O-N 3.03Å; L42-I46 WeakPolarHBondContact O-CG1 3.41Å; L42-I46 PolarHBondContact O-N 3.03Å; L42-R75 HydrophobicContact CD2-CB 4.02Å; L42-R75 HydrophobicContact CD2-CG 4.15Å; L42-V78 HydrophobicContact CD1-CB 4.45Å; L42-V78 HydrophobicContact CD1-CG1 3.86Å; L42-V78 HydrophobicContact CD2-CB 4.15Å; L42-V78 HydrophobicContact CD2-CG1 4.17Å; L42-I82 HydrophobicContact CD1-CD1 3.73Å |
| 43 | L | 82.5 | Confident | 78.5 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -49.3 | -178.9 | -68.2 | -174.6 | 0 | 0 | 0 | 111.8 | L39 N40 G45 I46 Y47 L79 V104 I107 L2340 | L39-L43 HydrophobicContact CD1-CD1 4.01Å; L39-L43 HydrophobicContact CD1-CD2 4.43Å; L39-L43 HydrophobicContact CD1-CG 4.02Å; L39-L43 HydrophobicContact CG-CD1 4.03Å; L39-L43 HydrophobicContact CG-CG 4.35Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 3.34Å; N40-L43 PolarHBondContact O-N 3.3Å; L43-G45 VanDerWaalsContact C-N 3.28Å; L43-G45 PolarHBondContact O-N 3.38Å; L43-I46 PolarHBondContact O-N 3.44Å; L43-Y47 PolarHBondContact O-N 3.39Å; L43-L79 HydrophobicContact CD2-CD1 4.2Å; L43-L79 HydrophobicContact CD2-CD2 4.33Å; L43-V104 HydrophobicContact CD1-CG2 3.91Å; L43-V104 HydrophobicContact CD2-CG2 4.24Å; L43-I107 HydrophobicContact CB-CD1 3.65Å; L43-I107 HydrophobicContact CD1-CD1 4.17Å; L43-I107 HydrophobicContact CD2-CD1 3.95Å; L43-I107 HydrophobicContact CD2-CG2 4.42Å; L43-I107 HydrophobicContact CG-CD1 4.11Å; L43-L2340 HydrophobicContact CB-CD2 3.95Å |
| 44 | K | 82.5 | Confident | 78.1 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 27% | 0.265 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.2 | -39.9 | 168.8 | -72.6 | -174.4 | 175.2 | -161.2 | 0 | 112.4 | N40 I46 Y47 N48 L2340 E2344 | N40-K44 WeakPolarHBondContact O-CB 3.28Å; N40-K44 WeakPolarHBondContact O-CG 3.4Å; N40-K44 PolarHBondContact O-N 3.46Å; N40-K44 VanDerWaalsContact OD1-CE 3.29Å; N40-K44 WeakPolarHBondContact OD1-CE 3.34Å; K44-I46 VanDerWaalsContact C-N 3.34Å; K44-I46 PolarHBondContact O-N 3.44Å; K44-Y47 PolarHBondContact O-N 3.18Å; K44-N48 VanDerWaalsContact O-CB 3.27Å; K44-N48 WeakPolarHBondContact O-CB 3.3Å; K44-N48 PolarHBondContact O-N 3.24Å; K44-N48 PolarHBondContact O-OD1 3.06Å; K44-L2340 HydrophobicContact CG-CD2 4.19Å; K44-E2344 WeakPolarHBondContact CE-OE1 3.35Å; K44-E2344 IonicContact NZ-OE1 2.64Å; K44-E2344 PolarHBondContact NZ-OE1 2.93Å; K44-E2344 IonicContact NZ-OE2 3.41Å; K44-E2344 PolarHBondContact NZ-OE2 2.78Å |
| 45 | G | 80.5 | Confident | 77.5 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N41 L42 L43 D49 R75 | N41-G45 WeakPolarHBondContact O-CA 3.44Å; N41-G45 PolarHBondContact O-N 2.88Å; L42-G45 WeakPolarHBondContact O-CA 3.49Å; L42-G45 PolarHBondContact O-N 3.03Å; L43-G45 VanDerWaalsContact C-N 3.28Å; L43-G45 PolarHBondContact O-N 3.38Å; G45-D49 WeakPolarHBondContact O-CB 3.47Å; G45-D49 PolarHBondContact O-N 2.62Å; G45-R75 VanDerWaalsContact C-CD 3.41Å; G45-R75 VanDerWaalsContact C-NE 3.3Å; G45-R75 PolarHBondContact O-NE 3.11Å |
| 46 | I | 80.6 | Confident | 76.3 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.4 | -50.8 | 174.7 | -68.8 | 162.3 | 0 | 0 | 0 | 109.9 | L42 L43 K44 N48 D49 F50 I72 R75 L76 I107 | L42-I46 WeakPolarHBondContact O-CG1 3.41Å; L42-I46 PolarHBondContact O-N 3.03Å; L43-I46 PolarHBondContact O-N 3.44Å; K44-I46 VanDerWaalsContact C-N 3.34Å; K44-I46 PolarHBondContact O-N 3.44Å; I46-N48 VanDerWaalsContact C-N 3.35Å; I46-N48 PolarHBondContact O-N 3.07Å; I46-D49 PolarHBondContact O-N 3.44Å; I46-F50 HydrophobicContact CG2-CD2 3.79Å; I46-F50 HydrophobicContact CG2-CE2 3.91Å; I46-F50 WeakPolarHBondContact O-CD2 3.41Å; I46-F50 PolarHBondContact O-N 3.46Å; I46-I72 HydrophobicContact CG2-CG2 4.34Å; I46-R75 HydrophobicContact CD1-CB 4.07Å; I46-R75 HydrophobicContact CG1-CB 3.65Å; I46-R75 HydrophobicContact CG1-CG 4.36Å; I46-L76 HydrophobicContact CD1-CD2 3.82Å; I46-L76 HydrophobicContact CD1-CG 4.26Å; I46-I107 HydrophobicContact CB-CG2 4.17Å; I46-I107 HydrophobicContact CG2-CG2 3.7Å |
| 47 | Y | 83.2 | Confident | 75 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -43.6 | 179 | 178.3 | -97.2 | 0 | 0 | 0 | 112.5 | L43 K44 F50 T51 L110 M2333 A2336 N2337 L2340 | L43-Y47 PolarHBondContact O-N 3.39Å; K44-Y47 PolarHBondContact O-N 3.18Å; Y47-F50 PolarHBondContact O-N 2.74Å; Y47-T51 WeakPolarHBondContact CE1-OG1 3.43Å; Y47-T51 WeakPolarHBondContact O-CB 3.46Å; Y47-T51 PolarHBondContact O-N 2.78Å; Y47-T51 PolarHBondContact O-OG1 2.89Å; Y47-L110 HydrophobicContact CD2-CD1 4.46Å; Y47-M2333 HydrophobicContact CD2-CE 3.99Å; Y47-M2333 HydrophobicContact CE2-CB 4.4Å; Y47-M2333 HydrophobicContact CE2-CE 3.52Å; Y47-M2333 WeakPolarHBondContact CE2-O 3.44Å; Y47-M2333 HydrophobicContact CE2-SD 4.23Å; Y47-A2336 HydrophobicContact CD2-CB 4.09Å; Y47-A2336 HydrophobicContact CE2-CB 4.34Å; Y47-N2337 HydrophobicContact CE1-CB 4.45Å; Y47-N2337 HydrophobicContact CE2-CB 3.95Å; Y47-L2340 HydrophobicContact CD1-CD1 4.28Å; Y47-L2340 HydrophobicContact CD2-CD1 4.27Å; Y47-L2340 HydrophobicContact CG-CD1 3.81Å |
| 48 | N | 82.1 | Confident | 73.6 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.4 | -40.8 | 178.2 | -70.2 | -3.5 | 0 | 0 | 0 | 112.1 | K44 I46 F50 T51 N52 | K44-N48 VanDerWaalsContact O-CB 3.27Å; K44-N48 WeakPolarHBondContact O-CB 3.3Å; K44-N48 PolarHBondContact O-N 3.24Å; K44-N48 PolarHBondContact O-OD1 3.06Å; I46-N48 VanDerWaalsContact C-N 3.35Å; I46-N48 PolarHBondContact O-N 3.07Å; N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 3.21Å; N48-T51 PolarHBondContact O-N 3.07Å; N48-N52 VanDerWaalsContact O-CB 3.3Å; N48-N52 WeakPolarHBondContact O-CB 3.29Å; N48-N52 VanDerWaalsContact O-CG 3.27Å; N48-N52 PolarHBondContact O-N 3.01Å; N48-N52 PolarHBondContact O-ND2 3.09Å |
| 49 | D | 79.9 | Confident | 72 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -31.6 | 174.5 | -85.1 | -56.7 | 0 | 0 | 0 | 111.8 | G45 I46 A53 R71 I72 R75 | G45-D49 WeakPolarHBondContact O-CB 3.47Å; G45-D49 PolarHBondContact O-N 2.62Å; I46-D49 PolarHBondContact O-N 3.44Å; D49-A53 PolarHBondContact O-N 3.17Å; D49-R71 IonicContact OD1-CZ 2.64Å; D49-R71 IonicContact OD1-NE 2.78Å; D49-R71 PolarHBondContact OD1-NE 2.64Å; D49-R71 IonicContact OD1-NH2 3.84Å; D49-R71 PolarHBondContact OD1-NH2 3.27Å; D49-R71 IonicContact OD2-NE 2.68Å; D49-I72 HydrophobicContact CB-CD1 3.96Å; D49-I72 HydrophobicContact CB-CG1 3.53Å; D49-R75 IonicContact OD2-CZ 2.69Å; D49-R75 VanDerWaalsContact OD2-CZ 3.23Å; D49-R75 IonicContact OD2-NE 3.24Å; D49-R75 PolarHBondContact OD2-NE 3.42Å; D49-R75 IonicContact OD2-NH2 2.66Å; D49-R75 PolarHBondContact OD2-NH2 3.23Å |
| 50 | F | 76.1 | Confident | 70.4 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.022 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.9 | -46.9 | 169.7 | -90.2 | -69.6 | 0 | 0 | 0 | 112.9 | I46 Y47 N48 N52 A53 C54 I72 L110 P111 H114 M2333 | I46-F50 HydrophobicContact CG2-CD2 3.79Å; I46-F50 HydrophobicContact CG2-CE2 3.91Å; I46-F50 WeakPolarHBondContact O-CD2 3.41Å; I46-F50 PolarHBondContact O-N 3.46Å; Y47-F50 PolarHBondContact O-N 2.74Å; N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 3.21Å; F50-N52 VanDerWaalsContact C-N 3.31Å; F50-N52 PolarHBondContact O-N 3.26Å; F50-A53 WeakPolarHBondContact O-CA 3.5Å; F50-A53 WeakPolarHBondContact O-CB 3.5Å; F50-A53 PolarHBondContact O-N 3.1Å; F50-C54 PolarHBondContact O-N 3.29Å; F50-C54 PolarHBondContact O-SG 2.93Å; F50-I72 HydrophobicContact CD1-CD1 4.36Å; F50-I72 HydrophobicContact CD2-CD1 4.03Å; F50-I72 HydrophobicContact CD2-CG2 4.45Å; F50-I72 HydrophobicContact CE1-CD1 4.3Å; F50-I72 HydrophobicContact CE2-CD1 3.97Å; F50-I72 HydrophobicContact CE2-CG1 4.49Å; F50-I72 HydrophobicContact CE2-CG2 3.7Å; F50-I72 HydrophobicContact CG-CD1 4.21Å; F50-I72 HydrophobicContact CZ-CD1 4.09Å; F50-I72 HydrophobicContact CZ-CG2 4.18Å; F50-L110 HydrophobicContact CD2-CB 4.1Å; F50-L110 HydrophobicContact CD2-CD1 4.38Å; F50-L110 HydrophobicContact CE1-CB 4.49Å; F50-L110 HydrophobicContact CE2-CB 4.02Å; F50-L110 HydrophobicContact CG-CB 4.38Å; F50-L110 HydrophobicContact CZ-CB 4.25Å; F50-P111 HydrophobicContact CE2-CB 4.06Å; F50-P111 HydrophobicContact CE2-CG 4.35Å; F50-P111 HydrophobicContact CZ-CB 3.84Å; F50-H114 HydrophobicContact CE1-CB 4.42Å; F50-M2333 HydrophobicContact CB-CE 4.19Å; F50-M2333 HydrophobicContact CB-SD 4.26Å |
| 51 | T | 74.8 | Confident | 69.4 | Low | 32 Ų | 32 | 64 Ų | 64 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 178.8 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | Y47 N48 A53 C54 L55 M2333 | Y47-T51 WeakPolarHBondContact CE1-OG1 3.43Å; Y47-T51 WeakPolarHBondContact O-CB 3.46Å; Y47-T51 PolarHBondContact O-N 2.78Å; Y47-T51 PolarHBondContact O-OG1 2.89Å; N48-T51 PolarHBondContact O-N 3.07Å; T51-A53 VanDerWaalsContact C-N 3.28Å; T51-A53 PolarHBondContact O-N 3.15Å; T51-C54 PolarHBondContact O-N 2.88Å; T51-L55 HydrophobicContact CG2-CD1 3.89Å; T51-L55 HydrophobicContact CG2-CG 4.31Å; T51-L55 WeakPolarHBondContact O-CB 3.39Å; T51-L55 WeakPolarHBondContact O-CG 3.11Å; T51-L55 PolarHBondContact O-N 3.28Å; T51-M2333 WeakPolarHBondContact OG1-CE 3.23Å |
| 52 | N | 71.2 | Confident | 68.3 | Low | 77 Ų | 77 | 64.4 Ų | 64.4 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.1 | -26 | 176 | -73.5 | -48.5 | 0 | 0 | 0 | 113.4 | N48 F50 R56 | N48-N52 VanDerWaalsContact O-CB 3.3Å; N48-N52 WeakPolarHBondContact O-CB 3.29Å; N48-N52 VanDerWaalsContact O-CG 3.27Å; N48-N52 PolarHBondContact O-N 3.01Å; N48-N52 PolarHBondContact O-ND2 3.09Å; F50-N52 VanDerWaalsContact C-N 3.31Å; F50-N52 PolarHBondContact O-N 3.26Å; N52-R56 WeakPolarHBondContact O-CB 3.34Å; N52-R56 VanDerWaalsContact O-CG 3.22Å; N52-R56 WeakPolarHBondContact O-CG 3.28Å |
| 53 | A | 67.9 | Low | 67.4 | Low | 17 Ų | 17 | 68.2 Ų | 68.2 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74 | -48.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D49 F50 T51 R56 F57 | D49-A53 PolarHBondContact O-N 3.17Å; F50-A53 WeakPolarHBondContact O-CA 3.5Å; F50-A53 WeakPolarHBondContact O-CB 3.5Å; F50-A53 PolarHBondContact O-N 3.1Å; T51-A53 VanDerWaalsContact C-N 3.28Å; T51-A53 PolarHBondContact O-N 3.15Å; A53-R56 PolarHBondContact O-N 3.07Å; A53-F57 VanDerWaalsContact O-CD2 3.23Å; A53-F57 WeakPolarHBondContact O-CD2 3.46Å; A53-F57 PolarHBondContact O-N 3.39Å |
| 54 | C | 63.1 | Low | 66.5 | Low | 36 Ų | 36 | 71.3 Ų | 71.3 | 24% | 0.243 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59 | -53.3 | -179.7 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | F50 T51 R56 F57 | F50-C54 PolarHBondContact O-N 3.29Å; F50-C54 PolarHBondContact O-SG 2.93Å; T51-C54 PolarHBondContact O-N 2.88Å; C54-R56 PolarHBondContact O-N 2.91Å; C54-R56 VanDerWaalsContact O-N 3.1Å; C54-F57 PolarHBondContact O-N 3.21Å; C54-F57 VanDerWaalsContact O-N 3.09Å |
| 55 | L | 58.3 | Low | 65.6 | Low | 128 Ų | 128 | 70.8 Ų | 70.8 | 67% | 0.67 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.1 | 179 | -69.1 | 174 | 0 | 0 | 0 | 113.6 | T51 | T51-L55 HydrophobicContact CG2-CD1 3.89Å; T51-L55 HydrophobicContact CG2-CG 4.31Å; T51-L55 WeakPolarHBondContact O-CB 3.39Å; T51-L55 WeakPolarHBondContact O-CG 3.11Å; T51-L55 PolarHBondContact O-N 3.28Å |
| 56 | R | 53.9 | Low | 65 | Low | 133 Ų | 133 | 73.3 Ų | 73.3 | 50% | 0.502 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 1.2 | 179.8 | -68.7 | -77.2 | -176.1 | 154.5 | 0.1 | 113.8 | N52 A53 C54 K58 E59 F64 | N52-R56 WeakPolarHBondContact O-CB 3.34Å; N52-R56 VanDerWaalsContact O-CG 3.22Å; N52-R56 WeakPolarHBondContact O-CG 3.28Å; A53-R56 PolarHBondContact O-N 3.07Å; C54-R56 PolarHBondContact O-N 2.91Å; C54-R56 VanDerWaalsContact O-N 3.1Å; R56-K58 PolarHBondContact O-N 2.81Å; R56-K58 VanDerWaalsContact O-N 3.11Å; R56-E59 WeakPolarHBondContact CD-OE2 3.47Å; R56-E59 IonicContact CZ-OE2 3.59Å; R56-E59 IonicContact NE-OE2 3.21Å; R56-E59 IonicContact NH1-OE1 3.06Å; R56-E59 IonicContact NH1-OE2 2.7Å; R56-E59 PolarHBondContact NH1-OE2 3.48Å; R56-E59 PolarHBondContact O-N 2.84Å; R56-F64 HydrophobicContact CG-CE1 4.47Å |
| 57 | F | 50.4 | Low | 64.6 | Low | 137 Ų | 137 | 75 Ų | 75 | 60% | 0.601 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18 | 174.8 | -98.1 | -87.7 | 0 | 0 | 0 | 113.6 | A53 C54 E59 | A53-F57 VanDerWaalsContact O-CD2 3.23Å; A53-F57 WeakPolarHBondContact O-CD2 3.46Å; A53-F57 PolarHBondContact O-N 3.39Å; C54-F57 PolarHBondContact O-N 3.21Å; C54-F57 VanDerWaalsContact O-N 3.09Å; F57-E59 VanDerWaalsContact C-N 3.26Å; F57-E59 PolarHBondContact O-N 3.29Å |
| 58 | K | 48.8 | Very low | 64.2 | Low | 199 Ų | 199 | 73.5 Ų | 73.5 | 87% | 0.865 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -5.4 | 173 | -64.6 | -179 | 178.8 | 177.6 | 0 | 113.7 | R56 | R56-K58 PolarHBondContact O-N 2.81Å; R56-K58 VanDerWaalsContact O-N 3.11Å |
| 59 | E | 46.7 | Very low | 63.8 | Low | 102 Ų | 102 | 71.5 Ų | 71.5 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -123.1 | 123.4 | 174.9 | -65.8 | 176.2 | 154.7 | 0 | 0 | 109.5 | R56 F57 D61 | R56-E59 WeakPolarHBondContact CD-OE2 3.47Å; R56-E59 IonicContact CZ-OE2 3.59Å; R56-E59 IonicContact NE-OE2 3.21Å; R56-E59 IonicContact NH1-OE1 3.06Å; R56-E59 IonicContact NH1-OE2 2.7Å; R56-E59 PolarHBondContact NH1-OE2 3.48Å; R56-E59 PolarHBondContact O-N 2.84Å; F57-E59 VanDerWaalsContact C-N 3.26Å; F57-E59 PolarHBondContact O-N 3.29Å; E59-D61 PolarHBondContact O-N 2.8Å |
| 60 | S | 50.9 | Low | 63.7 | Low | 111 Ų | 111 | 76.6 Ų | 76.6 | 78% | 0.776 | 39% | 0.394 | S | S | * | . | trans | -78.1 | 40.5 | -166 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | V62 | S60-V62 PolarHBondContact O-N 2.83Š| ||
| 61 | D | 59.6 | Low | 63.9 | Low | 95 Ų | 95 | 79.2 Ų | 79.2 | 51% | 0.508 | 40% | 0.403 | S | S | . | . | trans | -92.3 | 77.4 | -169.5 | -145.4 | -18.1 | 0 | 0 | 0 | 112.7 | E59 S63 F64 Q65 | E59-D61 PolarHBondContact O-N 2.8Å; D61-S63 PolarHBondContact O-N 3.24Å; D61-S63 PolarHBondContact OD1-OG 2.98Å; D61-F64 PolarHBondContact O-N 3.22Å; D61-Q65 PolarHBondContact O-N 3.42Å | ||
| 62 | V | 58.7 | Low | 64.2 | Low | 76 Ų | 76 | 77.8 Ų | 77.8 | 46% | 0.461 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -52.1 | -31.6 | -177.5 | -177.7 | 0 | 0 | 0 | 0 | 112.8 | S60 F64 Q65 V66 L168 | S60-V62 PolarHBondContact O-N 2.83Å; V62-F64 PolarHBondContact O-N 3.33Å; V62-Q65 PolarHBondContact O-N 2.87Å; V62-V66 WeakPolarHBondContact O-CG2 3.33Å; V62-V66 PolarHBondContact O-N 3.48Å; V62-L168 HydrophobicContact CG2-CD1 4.1Å |
| 63 | S | 63.9 | Low | 64.7 | Low | 82 Ų | 82 | 75.7 Ų | 75.7 | 57% | 0.573 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 179.2 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | D61 S67 | D61-S63 PolarHBondContact O-N 3.24Å; D61-S63 PolarHBondContact OD1-OG 2.98Å; S63-S67 PolarHBondContact O-N 2.74Å |
| 64 | F | 63.4 | Low | 65.3 | Low | 73 Ų | 73 | 75.1 Ų | 75.1 | 32% | 0.32 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.3 | -42.4 | -179.5 | -176.2 | -102.1 | 0 | 0 | 0 | 111.3 | R56 D61 V62 V66 S67 A68 | R56-F64 HydrophobicContact CG-CE1 4.47Å; D61-F64 PolarHBondContact O-N 3.22Å; V62-F64 PolarHBondContact O-N 3.33Å; F64-V66 PolarHBondContact O-N 3.06Å; F64-S67 WeakPolarHBondContact O-CA 3.49Å; F64-S67 WeakPolarHBondContact O-CB 3.39Å; F64-S67 PolarHBondContact O-N 2.61Å; F64-S67 PolarHBondContact O-OG 2.97Å; F64-A68 PolarHBondContact O-N 3.08Å |
| 65 | Q | 64 | Low | 66.3 | Low | 50 Ų | 50 | 75.8 Ų | 75.8 | 23% | 0.234 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 177.4 | -65.3 | -172.8 | -6.8 | 0 | 0 | 111.9 | D61 V62 S67 A68 Q69 | D61-Q65 PolarHBondContact O-N 3.42Å; V62-Q65 PolarHBondContact O-N 2.87Å; Q65-S67 VanDerWaalsContact C-N 3.27Å; Q65-S67 PolarHBondContact O-N 2.98Å; Q65-A68 PolarHBondContact O-N 3.23Å; Q65-Q69 VanDerWaalsContact O-CG 3.31Å; Q65-Q69 WeakPolarHBondContact O-CG 3.41Å; Q65-Q69 PolarHBondContact O-N 2.95Å |
| 66 | V | 67 | Low | 67.6 | Low | 60 Ų | 60 | 69.8 Ų | 69.8 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 176.2 | 175 | 0 | 0 | 0 | 0 | 111.4 | V62 F64 R70 | V62-V66 WeakPolarHBondContact O-CG2 3.33Å; V62-V66 PolarHBondContact O-N 3.48Å; F64-V66 PolarHBondContact O-N 3.06Å; V66-R70 VanDerWaalsContact O-CG 3.32Å; V66-R70 WeakPolarHBondContact O-CG 3.12Å; V66-R70 PolarHBondContact O-N 3.38Å; V66-R70 VanDerWaalsContact O-N 3.15Å |
| 67 | S | 72.8 | Confident | 69 | Low | 38 Ų | 38 | 63.6 Ų | 63.6 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 174.9 | 89.2 | 0 | 0 | 0 | 0 | 112.6 | S63 F64 Q65 R70 R71 | S63-S67 PolarHBondContact O-N 2.74Å; F64-S67 WeakPolarHBondContact O-CA 3.49Å; F64-S67 WeakPolarHBondContact O-CB 3.39Å; F64-S67 PolarHBondContact O-N 2.61Å; F64-S67 PolarHBondContact O-OG 2.97Å; Q65-S67 VanDerWaalsContact C-N 3.27Å; Q65-S67 PolarHBondContact O-N 2.98Å; S67-R70 PolarHBondContact O-N 2.69Å; S67-R71 PolarHBondContact O-N 3.08Å; S67-R71 VanDerWaalsContact O-N 3.07Å; S67-R71 PolarHBondContact OG-NH1 3.12Å |
| 68 | A | 74.1 | Confident | 70.6 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F64 Q65 R70 R71 I72 | F64-A68 PolarHBondContact O-N 3.08Å; Q65-A68 PolarHBondContact O-N 3.23Å; A68-R70 VanDerWaalsContact C-N 3.3Å; A68-R70 PolarHBondContact O-N 3.49Å; A68-R71 PolarHBondContact O-N 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.27Å; A68-I72 PolarHBondContact O-N 3.42Å |
| 69 | Q | 75.5 | Confident | 72.3 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.8 | -40 | 175.9 | -66.3 | 177 | 13.6 | 0 | 0 | 111.8 | Q65 I72 V73 H114 N116 L119 | Q65-Q69 VanDerWaalsContact O-CG 3.31Å; Q65-Q69 WeakPolarHBondContact O-CG 3.41Å; Q65-Q69 PolarHBondContact O-N 2.95Å; Q69-I72 PolarHBondContact O-N 3.25Å; Q69-V73 WeakPolarHBondContact O-CG2 3.31Å; Q69-V73 PolarHBondContact O-N 3.42Å; Q69-H114 PolarHBondContact NE2-CE1 2.93Å; Q69-N116 PolarHBondContact OE1-ND2 3.1Å; Q69-L119 HydrophobicContact CB-CD1 4.08Å; Q69-L119 HydrophobicContact CG-CD1 3.84Å |
| 70 | R | 77.3 | Confident | 74.1 | Confident | 115 Ų | 115 | 43.3 Ų | 43.3 | 43% | 0.434 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 172.7 | -73.8 | 178.9 | -172.1 | -158.3 | 5.7 | 112.4 | V66 S67 A68 A74 S255 | V66-R70 VanDerWaalsContact O-CG 3.32Å; V66-R70 WeakPolarHBondContact O-CG 3.12Å; V66-R70 PolarHBondContact O-N 3.38Å; V66-R70 VanDerWaalsContact O-N 3.15Å; S67-R70 PolarHBondContact O-N 2.69Å; A68-R70 VanDerWaalsContact C-N 3.3Å; A68-R70 PolarHBondContact O-N 3.49Å; R70-A74 WeakPolarHBondContact O-CB 3.4Å; R70-A74 PolarHBondContact O-N 3.05Å; R70-S255 PolarHBondContact NH2-O 3.11Å |
| 71 | R | 79.8 | Confident | 75.5 | Confident | 59 Ų | 59 | 41.6 Ų | 41.6 | 22% | 0.223 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 176 | -70.7 | -170.2 | -56.1 | -85.9 | 1 | 112 | F26 D49 S67 A68 A74 R75 | F26-R71 HydrophobicContact CE1-CG 4.05Å; F26-R71 HydrophobicContact CZ-CG 4.48Å; D49-R71 IonicContact OD1-CZ 2.64Å; D49-R71 IonicContact OD1-NE 2.78Å; D49-R71 PolarHBondContact OD1-NE 2.64Å; D49-R71 IonicContact OD1-NH2 3.84Å; D49-R71 PolarHBondContact OD1-NH2 3.27Å; D49-R71 IonicContact OD2-NE 2.68Å; S67-R71 PolarHBondContact O-N 3.08Å; S67-R71 VanDerWaalsContact O-N 3.07Å; S67-R71 PolarHBondContact OG-NH1 3.12Å; A68-R71 PolarHBondContact O-N 3.24Å; R71-A74 WeakPolarHBondContact O-CB 3.43Å; R71-A74 PolarHBondContact O-N 2.91Å; R71-R75 WeakPolarHBondContact O-CG 3.4Å; R71-R75 PolarHBondContact O-N 3.07Å |
| 72 | I | 81.1 | Confident | 76.7 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | -179.9 | -61.1 | 160.9 | 0 | 0 | 0 | 111 | I46 D49 F50 A68 Q69 A74 R75 L76 L119 | I46-I72 HydrophobicContact CG2-CG2 4.34Å; D49-I72 HydrophobicContact CB-CD1 3.96Å; D49-I72 HydrophobicContact CB-CG1 3.53Å; F50-I72 HydrophobicContact CD1-CD1 4.36Å; F50-I72 HydrophobicContact CD2-CD1 4.03Å; F50-I72 HydrophobicContact CD2-CG2 4.45Å; F50-I72 HydrophobicContact CE1-CD1 4.3Å; F50-I72 HydrophobicContact CE2-CD1 3.97Å; F50-I72 HydrophobicContact CE2-CG1 4.49Å; F50-I72 HydrophobicContact CE2-CG2 3.7Å; F50-I72 HydrophobicContact CG-CD1 4.21Å; F50-I72 HydrophobicContact CZ-CD1 4.09Å; F50-I72 HydrophobicContact CZ-CG2 4.18Å; A68-I72 WeakPolarHBondContact O-CG1 3.27Å; A68-I72 PolarHBondContact O-N 3.42Å; Q69-I72 PolarHBondContact O-N 3.25Å; I72-A74 VanDerWaalsContact C-N 3.29Å; I72-A74 PolarHBondContact O-N 3.2Å; I72-R75 PolarHBondContact O-N 3Å; I72-R75 VanDerWaalsContact O-N 3.15Å; I72-L76 HydrophobicContact CG2-CD1 4.02Å; I72-L76 HydrophobicContact CG2-CG 4.44Å; I72-L76 WeakPolarHBondContact O-CG 3.47Å; I72-L76 PolarHBondContact O-N 3.29Å; I72-L119 HydrophobicContact CB-CD2 3.73Å; I72-L119 HydrophobicContact CG2-CD2 3.37Å |
| 73 | V | 81.1 | Confident | 78 | Confident | 33 Ų | 33 | 34.4 Ų | 34.4 | 20% | 0.2 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59 | -41.4 | 174.2 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | Q69 L76 N77 L119 A122 | Q69-V73 WeakPolarHBondContact O-CG2 3.31Å; Q69-V73 PolarHBondContact O-N 3.42Å; V73-L76 PolarHBondContact O-N 3.19Å; V73-N77 WeakPolarHBondContact O-CB 3.39Å; V73-N77 PolarHBondContact O-N 2.63Å; V73-L119 HydrophobicContact CG2-CD2 3.57Å; V73-L119 HydrophobicContact CG2-CG 3.84Å; V73-A122 HydrophobicContact CG1-CB 4.42Å |
| 74 | A | 80.7 | Confident | 78.8 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F26 L27 R70 R71 I72 N77 V78 | F26-A74 HydrophobicContact CD1-CB 3.94Å; F26-A74 HydrophobicContact CE1-CB 4.48Å; L27-A74 HydrophobicContact CD1-CB 3.72Å; L27-A74 HydrophobicContact CD2-CB 4.3Å; L27-A74 HydrophobicContact CG-CB 3.91Å; R70-A74 WeakPolarHBondContact O-CB 3.4Å; R70-A74 PolarHBondContact O-N 3.05Å; R71-A74 WeakPolarHBondContact O-CB 3.43Å; R71-A74 PolarHBondContact O-N 2.91Å; I72-A74 VanDerWaalsContact C-N 3.29Å; I72-A74 PolarHBondContact O-N 3.2Å; A74-N77 WeakPolarHBondContact O-CB 3.48Å; A74-N77 PolarHBondContact O-N 2.99Å; A74-V78 WeakPolarHBondContact O-CG2 3.34Å; A74-V78 PolarHBondContact O-N 2.74Å |
| 75 | R | 84.9 | Confident | 79.6 | Confident | 50 Ų | 50 | 38 Ų | 38 | 19% | 0.189 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.8 | -69.8 | -178.2 | -162.6 | -79.7 | 5 | 111.6 | L27 L42 G45 I46 D49 R71 I72 V78 L79 | L27-R75 HydrophobicContact CD1-CB 4.31Å; L27-R75 HydrophobicContact CD1-CG 3.69Å; L27-R75 HydrophobicContact CD2-CG 4.41Å; L42-R75 HydrophobicContact CD2-CB 4.02Å; L42-R75 HydrophobicContact CD2-CG 4.15Å; G45-R75 VanDerWaalsContact C-CD 3.41Å; G45-R75 VanDerWaalsContact C-NE 3.3Å; G45-R75 PolarHBondContact O-NE 3.11Å; I46-R75 HydrophobicContact CD1-CB 4.07Å; I46-R75 HydrophobicContact CG1-CB 3.65Å; I46-R75 HydrophobicContact CG1-CG 4.36Å; D49-R75 IonicContact OD2-CZ 2.69Å; D49-R75 VanDerWaalsContact OD2-CZ 3.23Å; D49-R75 IonicContact OD2-NE 3.24Å; D49-R75 PolarHBondContact OD2-NE 3.42Å; D49-R75 IonicContact OD2-NH2 2.66Å; D49-R75 PolarHBondContact OD2-NH2 3.23Å; R71-R75 WeakPolarHBondContact O-CG 3.4Å; R71-R75 PolarHBondContact O-N 3.07Å; I72-R75 PolarHBondContact O-N 3Å; I72-R75 VanDerWaalsContact O-N 3.15Å; R75-V78 PolarHBondContact O-N 3.32Å; R75-L79 WeakPolarHBondContact O-CB 3.29Å; R75-L79 PolarHBondContact O-N 2.88Å |
| 76 | L | 84.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 175.2 | -68.8 | 169.6 | 0 | 0 | 0 | 111.7 | I46 I72 V73 V78 L79 V80 L108 P111 L119 A122 A123 C126 | I46-L76 HydrophobicContact CD1-CD2 3.82Å; I46-L76 HydrophobicContact CD1-CG 4.26Å; I72-L76 HydrophobicContact CG2-CD1 4.02Å; I72-L76 HydrophobicContact CG2-CG 4.44Å; I72-L76 WeakPolarHBondContact O-CG 3.47Å; I72-L76 PolarHBondContact O-N 3.29Å; V73-L76 PolarHBondContact O-N 3.19Å; L76-V78 VanDerWaalsContact C-N 3.32Å; L76-V78 PolarHBondContact O-N 2.67Å; L76-L79 HydrophobicContact CD2-CD2 4.41Å; L76-L79 WeakPolarHBondContact O-CB 3.48Å; L76-L79 PolarHBondContact O-N 3.06Å; L76-V80 PolarHBondContact O-N 2.88Å; L76-V80 VanDerWaalsContact O-N 3.11Å; L76-L108 HydrophobicContact CD2-CD2 3.61Å; L76-P111 HydrophobicContact CD1-CB 3.97Å; L76-P111 HydrophobicContact CD1-CG 4.14Å; L76-P111 HydrophobicContact CD2-CG 4.49Å; L76-L119 HydrophobicContact CD1-CD2 4.26Å; L76-A122 HydrophobicContact CB-CB 3.91Å; L76-A122 HydrophobicContact CD1-CB 3.83Å; L76-A123 HydrophobicContact CD1-CB 4.48Å; L76-C126 PolarHBondContact O-SG 3.04Å; L76-C126 VanDerWaalsContact O-SG 3.35Å |
| 77 | N | 84.3 | Confident | 81.1 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61 | -37.3 | 172.9 | -83.9 | -14.5 | 0 | 0 | 0 | 112.7 | L20 S23 V73 A74 L81 R125 | L20-N77 HydrophobicContact CD2-CB 3.93Å; L20-N77 WeakPolarHBondContact CD2-O 3.45Å; S23-N77 WeakPolarHBondContact OG-CB 3.06Å; S23-N77 PolarHBondContact OG-ND2 2.92Å; S23-N77 VanDerWaalsContact OG-ND2 3.1Å; V73-N77 WeakPolarHBondContact O-CB 3.39Å; V73-N77 PolarHBondContact O-N 2.63Å; A74-N77 WeakPolarHBondContact O-CB 3.48Å; A74-N77 PolarHBondContact O-N 2.99Å; N77-L81 PolarHBondContact O-N 3.36Å; N77-R125 PolarHBondContact OD1-NH1 3.07Å |
| 78 | V | 83.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.8 | -35.1 | 174.4 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | V24 L27 I29 L31 L42 A74 R75 L76 V80 L81 I82 | V24-V78 HydrophobicContact CG2-CG2 3.85Å; L27-V78 HydrophobicContact CD1-CG2 4.27Å; I29-V78 HydrophobicContact CD1-CG1 4.27Å; L31-V78 HydrophobicContact CD2-CG1 4.32Å; L42-V78 HydrophobicContact CD1-CB 4.45Å; L42-V78 HydrophobicContact CD1-CG1 3.86Å; L42-V78 HydrophobicContact CD2-CB 4.15Å; L42-V78 HydrophobicContact CD2-CG1 4.17Å; A74-V78 WeakPolarHBondContact O-CG2 3.34Å; A74-V78 PolarHBondContact O-N 2.74Å; R75-V78 PolarHBondContact O-N 3.32Å; L76-V78 VanDerWaalsContact C-N 3.32Å; L76-V78 PolarHBondContact O-N 2.67Å; V78-V80 PolarHBondContact O-N 2.79Å; V78-L81 WeakPolarHBondContact O-CB 3.36Å; V78-L81 PolarHBondContact O-N 3.07Å; V78-I82 HydrophobicContact CG1-CD1 3.81Å; V78-I82 HydrophobicContact CG1-CG1 4.31Å; V78-I82 WeakPolarHBondContact O-CG1 3.45Å; V78-I82 PolarHBondContact O-N 3.23Å; V78-I82 VanDerWaalsContact O-N 3.15Å |
| 79 | L | 85.5 | Confident | 81.3 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.3 | -36.8 | 174 | -172.6 | 67.8 | 0 | 0 | 0 | 111.9 | L39 L43 R75 L76 S83 C126 Y130 | L39-L79 HydrophobicContact CD1-CD1 3.41Å; L39-L79 VanDerWaalsContact CD1-CD1 3.41Å; L43-L79 HydrophobicContact CD2-CD1 4.2Å; L43-L79 HydrophobicContact CD2-CD2 4.33Å; R75-L79 WeakPolarHBondContact O-CB 3.29Å; R75-L79 PolarHBondContact O-N 2.88Å; L76-L79 HydrophobicContact CD2-CD2 4.41Å; L76-L79 WeakPolarHBondContact O-CB 3.48Å; L76-L79 PolarHBondContact O-N 3.06Å; L79-S83 PolarHBondContact O-N 2.66Å; L79-C126 HydrophobicContact CD2-CB 4.45Å; L79-Y130 HydrophobicContact CD1-CE2 4.45Å; L79-Y130 WeakPolarHBondContact CD1-OH 3.35Å; L79-Y130 HydrophobicContact CG-CE2 3.94Å; L79-Y130 WeakPolarHBondContact O-CE2 3.45Å; L79-Y130 PolarHBondContact O-OH 3.46Å |
| 80 | V | 83.4 | Confident | 81.3 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 171.1 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | L76 V78 I82 S83 R125 C126 Y129 | L76-V80 PolarHBondContact O-N 2.88Å; L76-V80 VanDerWaalsContact O-N 3.11Å; V78-V80 PolarHBondContact O-N 2.79Å; V80-I82 PolarHBondContact O-N 3.2Å; V80-S83 WeakPolarHBondContact O-CB 2.94Å; V80-S83 PolarHBondContact O-N 3.02Å; V80-S83 PolarHBondContact O-OG 3.3Å; V80-R125 HydrophobicContact CG2-CG 4.2Å; V80-C126 HydrophobicContact CG2-CB 4.44Å; V80-Y129 HydrophobicContact CG1-CD2 3.57Å; V80-Y129 HydrophobicContact CG1-CE2 3.73Å; V80-Y129 HydrophobicContact CG1-CG 4.01Å; V80-Y129 HydrophobicContact CG2-CD2 4.24Å |
| 81 | L | 81.4 | Confident | 81.2 | Confident | 75 Ų | 75 | 41.5 Ų | 41.5 | 39% | 0.393 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62 | -29.4 | -179.1 | -73.1 | 176.5 | 0 | 0 | 0 | 113.9 | L20 V24 N77 V78 | L20-L81 HydrophobicContact CB-CD1 4.14Å; L20-L81 HydrophobicContact CB-CD2 4.06Å; L20-L81 HydrophobicContact CB-CG 4.26Å; L20-L81 HydrophobicContact CD1-CD2 4.1Å; L20-L81 HydrophobicContact CD2-CD2 4.49Å; L20-L81 HydrophobicContact CD2-CG 4.31Å; L20-L81 HydrophobicContact CG-CD2 4.45Å; V24-L81 HydrophobicContact CG2-CD1 3.49Å; V24-L81 VanDerWaalsContact CG2-CD1 3.49Å; N77-L81 PolarHBondContact O-N 3.36Å; V78-L81 WeakPolarHBondContact O-CB 3.36Å; V78-L81 PolarHBondContact O-N 3.07Å |
| 82 | I | 85.2 | Confident | 80.5 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.046 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -91.2 | -15.1 | -176.5 | -57.4 | 177.1 | 0 | 0 | 0 | 111.6 | L31 T35 V38 L42 V78 V80 Q84 R85 V86 | L31-I82 HydrophobicContact CD2-CD1 3.7Å; L31-I82 HydrophobicContact CD2-CG1 3.96Å; T35-I82 HydrophobicContact CG2-CG2 3.81Å; V38-I82 HydrophobicContact CB-CD1 4.39Å; V38-I82 HydrophobicContact CG1-CD1 3.47Å; V38-I82 VanDerWaalsContact CG1-CD1 3.47Å; L42-I82 HydrophobicContact CD1-CD1 3.73Å; V78-I82 HydrophobicContact CG1-CD1 3.81Å; V78-I82 HydrophobicContact CG1-CG1 4.31Å; V78-I82 WeakPolarHBondContact O-CG1 3.45Å; V78-I82 PolarHBondContact O-N 3.23Å; V78-I82 VanDerWaalsContact O-N 3.15Å; V80-I82 PolarHBondContact O-N 3.2Å; I82-Q84 PolarHBondContact O-N 3.3Å; I82-R85 HydrophobicContact CG2-CB 4.41Å; I82-R85 WeakPolarHBondContact O-CA 3.29Å; I82-R85 WeakPolarHBondContact O-CB 3.46Å; I82-R85 PolarHBondContact O-N 3.22Å; I82-V86 HydrophobicContact CG2-CG2 3.95Å; I82-V86 PolarHBondContact O-N 3Å |
| 83 | S | 84.5 | Confident | 80.1 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -44.2 | -54.4 | -174.5 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | L79 V80 R85 V86 F87 Y129 | L79-S83 PolarHBondContact O-N 2.66Å; V80-S83 WeakPolarHBondContact O-CB 2.94Å; V80-S83 PolarHBondContact O-N 3.02Å; V80-S83 PolarHBondContact O-OG 3.3Å; S83-R85 VanDerWaalsContact C-N 3.32Å; S83-R85 PolarHBondContact O-N 2.87Å; S83-V86 WeakPolarHBondContact O-CA 3.49Å; S83-V86 WeakPolarHBondContact O-CB 3.3Å; S83-V86 PolarHBondContact O-N 3.2Å; S83-F87 WeakPolarHBondContact O-CD2 3.27Å; S83-F87 PolarHBondContact O-N 3.41Å; S83-Y129 WeakPolarHBondContact CB-O 3.23Å |
| 84 | Q | 82 | Confident | 79.4 | Confident | 106 Ų | 106 | 45.7 Ų | 45.7 | 50% | 0.495 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.5 | -46.5 | 178 | -176 | -178.6 | -28.7 | 0 | 0 | 112 | I82 V86 F87 E88 | I82-Q84 PolarHBondContact O-N 3.3Å; Q84-V86 VanDerWaalsContact C-N 3.31Å; Q84-V86 PolarHBondContact O-N 3.33Å; Q84-F87 PolarHBondContact O-N 3.14Å; Q84-F87 VanDerWaalsContact O-N 3.16Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.3Å; Q84-E88 PolarHBondContact NE2-OE1 3.06Å; Q84-E88 WeakPolarHBondContact O-CG 3.47Å; Q84-E88 PolarHBondContact O-N 3.23Å |
| 85 | R | 80.5 | Confident | 79.1 | Confident | 123 Ų | 123 | 53.5 Ų | 53.5 | 46% | 0.464 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.9 | -30.7 | 176.8 | -69.6 | -176 | 174.2 | -172.7 | 0.5 | 113.3 | L31 T35 I82 S83 A89 | L31-R85 PolarHBondContact O-NH1 3.21Å; T35-R85 HydrophobicContact CG2-CB 4.04Å; I82-R85 HydrophobicContact CG2-CB 4.41Å; I82-R85 WeakPolarHBondContact O-CA 3.29Å; I82-R85 WeakPolarHBondContact O-CB 3.46Å; I82-R85 PolarHBondContact O-N 3.22Å; S83-R85 VanDerWaalsContact C-N 3.32Å; S83-R85 PolarHBondContact O-N 2.87Å; R85-A89 VanDerWaalsContact O-CB 3.28Å; R85-A89 WeakPolarHBondContact O-CB 3.43Å; R85-A89 PolarHBondContact O-N 3.42Å |
| 86 | V | 79.5 | Confident | 78.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 172.2 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | T35 L39 I82 S83 Q84 A89 V90 L100 Y130 | T35-V86 HydrophobicContact CG2-CB 4.5Å; T35-V86 HydrophobicContact CG2-CG2 3.97Å; L39-V86 HydrophobicContact CD2-CG1 4.02Å; L39-V86 HydrophobicContact CD2-CG2 4.27Å; I82-V86 HydrophobicContact CG2-CG2 3.95Å; I82-V86 PolarHBondContact O-N 3Å; S83-V86 WeakPolarHBondContact O-CA 3.49Å; S83-V86 WeakPolarHBondContact O-CB 3.3Å; S83-V86 PolarHBondContact O-N 3.2Å; Q84-V86 VanDerWaalsContact C-N 3.31Å; Q84-V86 PolarHBondContact O-N 3.33Å; V86-A89 PolarHBondContact O-N 3.37Å; V86-V90 HydrophobicContact CG1-CG2 4.18Å; V86-V90 VanDerWaalsContact O-CB 3.3Å; V86-V90 WeakPolarHBondContact O-CB 3.3Å; V86-V90 WeakPolarHBondContact O-CG2 3.3Å; V86-V90 PolarHBondContact O-N 3.13Å; V86-L100 HydrophobicContact CG1-CD1 4.47Å; V86-L100 HydrophobicContact CG1-CD2 3.86Å; V86-Y130 HydrophobicContact CG2-CE1 4.42Å |
| 87 | F | 81 | Confident | 78.5 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 179.4 | -70.4 | -68.1 | 0 | 0 | 0 | 113 | S83 Q84 V90 R91 Y130 H132 | S83-F87 WeakPolarHBondContact O-CD2 3.27Å; S83-F87 PolarHBondContact O-N 3.41Å; Q84-F87 PolarHBondContact O-N 3.14Å; Q84-F87 VanDerWaalsContact O-N 3.16Å; F87-V90 PolarHBondContact O-N 3.09Å; F87-R91 WeakPolarHBondContact O-CB 3.31Å; F87-R91 PolarHBondContact O-N 2.92Å; F87-Y130 AromaticContact CE2-CD1 3.97Å; F87-Y130 HydrophobicContact CE2-CD1 3.97Å; F87-Y130 HydrophobicContact CE2-CE1 4.41Å; F87-Y130 HydrophobicContact CE2-CG 4.32Å; F87-Y130 AromaticContact CZ-CD1 3.95Å; F87-Y130 HydrophobicContact CZ-CD1 3.95Å; F87-Y130 HydrophobicContact CZ-CG 4.42Å; F87-Y130 WeakPolarHBondContact CZ-O 3.41Å; F87-H132 AromaticContact CD2-CE1 3.51Å; F87-H132 AromaticContact CD2-ND1 3.75Å; F87-H132 AromaticContact CE2-CE1 3.34Å; F87-H132 WeakPolarHBondContact CE2-CE1 3.38Å; F87-H132 AromaticContact CE2-ND1 3.37Å; F87-H132 WeakPolarHBondContact CE2-ND1 3.48Å; F87-H132 AromaticContact CZ-CE1 4Å; F87-H132 AromaticContact CZ-ND1 3.53Å |
| 88 | E | 79.1 | Confident | 78.4 | Confident | 107 Ų | 107 | 57.1 Ų | 57.1 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 170.1 | -72 | 164.8 | -179.5 | 0 | 0 | 111.4 | Q84 V90 R91 | Q84-E88 WeakPolarHBondContact CG-OE1 3.3Å; Q84-E88 PolarHBondContact NE2-OE1 3.06Å; Q84-E88 WeakPolarHBondContact O-CG 3.47Å; Q84-E88 PolarHBondContact O-N 3.23Å; E88-V90 PolarHBondContact O-N 3.34Å; E88-R91 WeakPolarHBondContact O-CB 3.31Å; E88-R91 PolarHBondContact O-N 3.39Å |
| 89 | A | 73.6 | Confident | 78.2 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 28% | 0.281 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.9 | -31.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F36 R85 V86 | F36-A89 HydrophobicContact CE2-CB 3.88Å; F36-A89 HydrophobicContact CZ-CB 3.74Å; R85-A89 VanDerWaalsContact O-CB 3.28Å; R85-A89 WeakPolarHBondContact O-CB 3.43Å; R85-A89 PolarHBondContact O-N 3.42Å; V86-A89 PolarHBondContact O-N 3.37Å |
| 90 | V | 75.3 | Confident | 78.1 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78.7 | -21.6 | 176.4 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | F36 V86 F87 E88 G92 L93 R97 L100 | F36-V90 HydrophobicContact CE1-CG2 3.8Å; F36-V90 HydrophobicContact CZ-CG2 4.04Å; V86-V90 HydrophobicContact CG1-CG2 4.18Å; V86-V90 VanDerWaalsContact O-CB 3.3Å; V86-V90 WeakPolarHBondContact O-CB 3.3Å; V86-V90 WeakPolarHBondContact O-CG2 3.3Å; V86-V90 PolarHBondContact O-N 3.13Å; F87-V90 PolarHBondContact O-N 3.09Å; E88-V90 PolarHBondContact O-N 3.34Å; V90-G92 PolarHBondContact O-N 3.31Å; V90-G92 VanDerWaalsContact O-N 3.15Å; V90-L93 CarbonylContact O-C 3.39Å; V90-L93 PolarHBondContact O-N 3.05Å; V90-R97 HydrophobicContact CG1-CB 3.66Å; V90-R97 HydrophobicContact CG1-CG 4.03Å; V90-L100 HydrophobicContact CG2-CD1 4.12Å |
| 91 | R | 74.2 | Confident | 78.1 | Confident | 199 Ų | 199 | 58 Ų | 58 | 75% | 0.751 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.2 | -179.3 | -165.2 | 172.4 | -174.2 | 158.2 | 2.2 | 113.3 | F87 E88 | F87-R91 WeakPolarHBondContact O-CB 3.31Å; F87-R91 PolarHBondContact O-N 2.92Å; E88-R91 WeakPolarHBondContact O-CB 3.31Å; E88-R91 PolarHBondContact O-N 3.39Å |
| 92 | G | 66.2 | Low | 78.3 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V90 | V90-G92 PolarHBondContact O-N 3.31Å; V90-G92 VanDerWaalsContact O-N 3.15Å |
| 93 | L | 71.3 | Confident | 78.2 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | trans | -139.3 | 67.8 | -169.3 | -61.3 | -179.4 | 0 | 0 | 0 | 111.8 | V90 H95 L96 K2350 | V90-L93 CarbonylContact O-C 3.39Å; V90-L93 PolarHBondContact O-N 3.05Å; L93-H95 VanDerWaalsContact C-N 3.32Å; L93-H95 PolarHBondContact O-N 2.96Å; L93-H95 VanDerWaalsContact O-N 3.17Å; L93-L96 HydrophobicContact CB-CB 4.28Å; L93-L96 WeakPolarHBondContact O-CB 3.13Å; L93-L96 PolarHBondContact O-N 3.38Å; L93-K2350 HydrophobicContact CD1-CD 4.2Å | ||
| 94 | P | 67.9 | Low | 78.3 | Confident | 66 Ų | 66 | 57 Ų | 57 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.7 | -39.7 | -169.6 | 20 | -32.7 | 0 | 0 | 0 | 114.1 | L96 R97 | P94-L96 PolarHBondContact O-N 3.07Å; P94-L96 VanDerWaalsContact O-N 3.09Å; P94-R97 WeakPolarHBondContact O-CB 3.16Å; P94-R97 PolarHBondContact O-N 3.3Å |
| 95 | H | 73.9 | Confident | 78.5 | Confident | 169 Ų | 169 | 51.9 Ų | 51.9 | 78% | 0.782 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.1 | -21.6 | 177.3 | -52.7 | -70.6 | 0 | 0 | 0 | 114.3 | L93 P99 | L93-H95 VanDerWaalsContact C-N 3.32Å; L93-H95 PolarHBondContact O-N 2.96Å; L93-H95 VanDerWaalsContact O-N 3.17Å; H95-P99 WeakPolarHBondContact O-CD 3.34Å |
| 96 | L | 75.9 | Confident | 78.7 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -82.3 | -20.3 | 177.8 | -156.7 | 81.9 | 0 | 0 | 0 | 112.4 | F36 L93 P94 T98 P99 L100 L2347 | F36-L96 HydrophobicContact CD1-CD2 4.26Å; F36-L96 HydrophobicContact CE1-CD2 3.63Å; F36-L96 HydrophobicContact CZ-CD2 3.88Å; L93-L96 HydrophobicContact CB-CB 4.28Å; L93-L96 WeakPolarHBondContact O-CB 3.13Å; L93-L96 PolarHBondContact O-N 3.38Å; P94-L96 PolarHBondContact O-N 3.07Å; P94-L96 VanDerWaalsContact O-N 3.09Å; L96-T98 PolarHBondContact O-N 2.7Å; L96-P99 WeakPolarHBondContact O-CD 3.34Å; L96-L100 HydrophobicContact CD2-CD1 4.1Å; L96-L100 WeakPolarHBondContact O-CB 3.38Å; L96-L100 PolarHBondContact O-N 2.63Å; L96-L2347 HydrophobicContact CD2-CD2 4.27Å |
| 97 | R | 80.2 | Confident | 79 | Confident | 54 Ų | 54 | 46.9 Ų | 46.9 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.5 | -54.5 | -173.9 | -172.4 | -170.7 | -176.3 | 97 | 0.5 | 111.4 | V90 P94 L101 D136 | V90-R97 HydrophobicContact CG1-CB 3.66Å; V90-R97 HydrophobicContact CG1-CG 4.03Å; P94-R97 WeakPolarHBondContact O-CB 3.16Å; P94-R97 PolarHBondContact O-N 3.3Å; R97-L101 WeakPolarHBondContact O-CB 3.42Å; R97-L101 PolarHBondContact O-N 3.33Å; R97-D136 IonicContact CZ-OD1 3.58Å; R97-D136 VanDerWaalsContact CZ-OD1 3.31Å; R97-D136 IonicContact CZ-OD2 3.79Å; R97-D136 IonicContact NE-OD1 3.08Å; R97-D136 PolarHBondContact NE-OD1 3.44Å; R97-D136 IonicContact NH2-OD1 2.71Å; R97-D136 PolarHBondContact NH2-OD1 2.82Å; R97-D136 IonicContact NH2-OD2 3.46Å; R97-D136 PolarHBondContact NH2-OD2 2.85Å |
| 98 | T | 81.6 | Confident | 79.2 | Confident | 63 Ų | 63 | 45.3 Ų | 45.3 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.7 | -57.3 | -174.5 | -56.9 | 0 | 0 | 0 | 0 | 113.5 | L96 L100 L101 R102 L139 | L96-T98 PolarHBondContact O-N 2.7Å; T98-L100 PolarHBondContact O-N 3.18Å; T98-L101 PolarHBondContact O-N 3.22Å; T98-R102 WeakPolarHBondContact O-CB 3.19Å; T98-R102 PolarHBondContact O-N 3.36Å; T98-L139 HydrophobicContact CG2-CD1 3.94Å; T98-L139 HydrophobicContact CG2-CD2 3.77Å |
| 99 | P | 80 | Confident | 79.4 | Confident | 20 Ų | 20 | 41.6 Ų | 41.6 | 13% | 0.13 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | -179.2 | 24.7 | -34.2 | 0 | 0 | 0 | 112.4 | H95 L96 L101 R102 S103 V2343 Y2346 | H95-P99 WeakPolarHBondContact O-CD 3.34Å; L96-P99 WeakPolarHBondContact O-CD 3.34Å; P99-L101 PolarHBondContact O-N 3.4Å; P99-R102 PolarHBondContact O-N 2.72Å; P99-S103 PolarHBondContact O-N 3.25Å; P99-S103 PolarHBondContact O-OG 2.99Å; P99-S103 VanDerWaalsContact O-OG 3.13Å; P99-V2343 HydrophobicContact CB-CG2 4.23Å; P99-V2343 WeakPolarHBondContact O-CG2 3.26Å; P99-Y2346 HydrophobicContact CB-CD2 4.26Å; P99-Y2346 HydrophobicContact CB-CE2 4.2Å; P99-Y2346 HydrophobicContact CG-CD2 4.42Å; P99-Y2346 HydrophobicContact CG-CE2 4.47Å |
| 100 | L | 82.6 | Confident | 79.8 | Confident | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 177.4 | -176.9 | 153.6 | 0 | 0 | 0 | 111.6 | F36 L39 V86 V90 L96 T98 S103 V104 | F36-L100 HydrophobicContact CD1-CD1 3.89Å; F36-L100 HydrophobicContact CE1-CD1 3.7Å; L39-L100 HydrophobicContact CD2-CD1 3.85Å; L39-L100 HydrophobicContact CD2-CD2 3.92Å; L39-L100 HydrophobicContact CD2-CG 3.99Å; V86-L100 HydrophobicContact CG1-CD1 4.47Å; V86-L100 HydrophobicContact CG1-CD2 3.86Å; V90-L100 HydrophobicContact CG2-CD1 4.12Å; L96-L100 HydrophobicContact CD2-CD1 4.1Å; L96-L100 WeakPolarHBondContact O-CB 3.38Å; L96-L100 PolarHBondContact O-N 2.63Å; T98-L100 PolarHBondContact O-N 3.18Å; L100-S103 PolarHBondContact O-N 3.28Å; L100-V104 HydrophobicContact CD2-CG2 4.48Å; L100-V104 WeakPolarHBondContact O-CG2 3.5Å; L100-V104 PolarHBondContact O-N 3.04Å; L100-V104 VanDerWaalsContact O-N 3.12Å |
| 101 | L | 84.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.3 | -40.2 | 179.2 | -171.5 | 65 | 0 | 0 | 0 | 111.7 | R97 T98 P99 S103 V104 Y105 Y130 D136 L139 | R97-L101 WeakPolarHBondContact O-CB 3.42Å; R97-L101 PolarHBondContact O-N 3.33Å; T98-L101 PolarHBondContact O-N 3.22Å; P99-L101 PolarHBondContact O-N 3.4Å; L101-S103 PolarHBondContact O-N 3.22Å; L101-V104 WeakPolarHBondContact O-CB 3.41Å; L101-V104 PolarHBondContact O-N 2.77Å; L101-Y105 HydrophobicContact CD1-CD1 4.27Å; L101-Y105 HydrophobicContact CD1-CE1 3.57Å; L101-Y105 HydrophobicContact CD1-CE2 4.41Å; L101-Y105 HydrophobicContact CD2-CE2 4.08Å; L101-Y105 HydrophobicContact CG-CD1 4.44Å; L101-Y105 HydrophobicContact CG-CD2 4.39Å; L101-Y105 HydrophobicContact CG-CE1 3.91Å; L101-Y105 HydrophobicContact CG-CE2 3.86Å; L101-Y105 PolarHBondContact O-N 3.15Å; L101-Y130 HydrophobicContact CD1-CD1 4.26Å; L101-D136 HydrophobicContact CD2-CB 3.81Å; L101-D136 VanDerWaalsContact CD2-OD1 3.22Å; L101-D136 WeakPolarHBondContact CD2-OD1 3.48Å; L101-L139 HydrophobicContact CD2-CD1 4.16Å |
| 102 | R | 84.7 | Confident | 80.5 | Confident | 69 Ų | 69 | 30.2 Ų | 30.2 | 26% | 0.26 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.5 | -47.8 | 174.6 | -161.2 | -171 | -172.6 | 93.5 | -3.5 | 111 | T98 P99 V104 Y105 H106 E142 | T98-R102 WeakPolarHBondContact O-CB 3.19Å; T98-R102 PolarHBondContact O-N 3.36Å; P99-R102 PolarHBondContact O-N 2.72Å; R102-V104 PolarHBondContact O-N 3.33Å; R102-Y105 WeakPolarHBondContact O-CA 3.27Å; R102-Y105 WeakPolarHBondContact O-CB 3.2Å; R102-Y105 PolarHBondContact O-N 3.44Å; R102-Y105 VanDerWaalsContact O-N 3.08Å; R102-H106 PolarHBondContact O-CD2 3.29Å; R102-H106 PolarHBondContact O-N 3.36Å; R102-E142 IonicContact CZ-OE1 3.23Å; R102-E142 VanDerWaalsContact CZ-OE1 3.25Å; R102-E142 IonicContact CZ-OE2 2.85Å; R102-E142 IonicContact NH1-OE1 3.74Å; R102-E142 PolarHBondContact NH1-OE1 3.17Å; R102-E142 IonicContact NH1-OE2 3.75Å; R102-E142 PolarHBondContact NH1-OE2 2.82Å; R102-E142 IonicContact NH2-OE1 2.81Å; R102-E142 PolarHBondContact NH2-OE1 3.19Å; R102-E142 IonicContact NH2-OE2 3.84Å |
| 103 | S | 83.4 | Confident | 81 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.6 | -35.2 | 178.5 | -52.9 | 0 | 0 | 0 | 0 | 113.1 | P99 L100 L101 Y105 I107 S2339 V2343 | P99-S103 PolarHBondContact O-N 3.25Å; P99-S103 PolarHBondContact O-OG 2.99Å; P99-S103 VanDerWaalsContact O-OG 3.13Å; L100-S103 PolarHBondContact O-N 3.28Å; L101-S103 PolarHBondContact O-N 3.22Å; S103-Y105 VanDerWaalsContact C-N 3.3Å; S103-Y105 PolarHBondContact O-N 2.88Å; S103-I107 WeakPolarHBondContact O-CB 3.37Å; S103-I107 WeakPolarHBondContact O-CD1 3.5Å; S103-I107 VanDerWaalsContact O-CG1 3.23Å; S103-I107 WeakPolarHBondContact O-CG1 3.46Å; S103-I107 PolarHBondContact O-N 2.99Å; S103-I107 VanDerWaalsContact O-N 3.12Å; S103-S2339 WeakPolarHBondContact OG-CB 3.39Å; S103-S2339 PolarHBondContact OG-O 2.89Å; S103-V2343 WeakPolarHBondContact OG-CG2 3.45Å |
| 104 | V | 86.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 168.6 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | L43 L100 L101 R102 L108 Y130 | L43-V104 HydrophobicContact CD1-CG2 3.91Å; L43-V104 HydrophobicContact CD2-CG2 4.24Å; L100-V104 HydrophobicContact CD2-CG2 4.48Å; L100-V104 WeakPolarHBondContact O-CG2 3.5Å; L100-V104 PolarHBondContact O-N 3.04Å; L100-V104 VanDerWaalsContact O-N 3.12Å; L101-V104 WeakPolarHBondContact O-CB 3.41Å; L101-V104 PolarHBondContact O-N 2.77Å; R102-V104 PolarHBondContact O-N 3.33Å; V104-L108 HydrophobicContact CG1-CD1 3.77Å; V104-L108 HydrophobicContact CG1-CG 4.39Å; V104-L108 WeakPolarHBondContact O-CB 3.45Å; V104-L108 VanDerWaalsContact O-CG 3.22Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 3.46Å; V104-Y130 HydrophobicContact CG1-CD1 4.15Å; V104-Y130 HydrophobicContact CG1-CG 4.32Å |
| 105 | Y | 88.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.3 | -44.4 | 179.7 | -72.2 | -2.4 | 0 | 0 | 0 | 113.5 | L101 R102 S103 I107 L108 R109 L127 V131 D136 L139 L140 L145 | L101-Y105 HydrophobicContact CD1-CD1 4.27Å; L101-Y105 HydrophobicContact CD1-CE1 3.57Å; L101-Y105 HydrophobicContact CD1-CE2 4.41Å; L101-Y105 HydrophobicContact CD2-CE2 4.08Å; L101-Y105 HydrophobicContact CG-CD1 4.44Å; L101-Y105 HydrophobicContact CG-CD2 4.39Å; L101-Y105 HydrophobicContact CG-CE1 3.91Å; L101-Y105 HydrophobicContact CG-CE2 3.86Å; L101-Y105 PolarHBondContact O-N 3.15Å; R102-Y105 WeakPolarHBondContact O-CA 3.27Å; R102-Y105 WeakPolarHBondContact O-CB 3.2Å; R102-Y105 PolarHBondContact O-N 3.44Å; R102-Y105 VanDerWaalsContact O-N 3.08Å; S103-Y105 VanDerWaalsContact C-N 3.3Å; S103-Y105 PolarHBondContact O-N 2.88Å; Y105-I107 PolarHBondContact O-N 3.11Å; Y105-L108 PolarHBondContact O-N 3.12Å; Y105-R109 PolarHBondContact O-N 3.48Å; Y105-L127 HydrophobicContact CD1-CD2 3.98Å; Y105-L127 HydrophobicContact CE1-CD2 4.04Å; Y105-V131 WeakPolarHBondContact OH-CG2 3.41Å; Y105-D136 WeakPolarHBondContact CE2-O 3.46Å; Y105-D136 PolarHBondContact OH-O 3.13Å; Y105-L139 HydrophobicContact CD2-CB 4.49Å; Y105-L139 HydrophobicContact CE2-CB 4.16Å; Y105-L140 HydrophobicContact CD2-CB 4.35Å; Y105-L140 HydrophobicContact CE2-CB 3.82Å; Y105-L145 HydrophobicContact CD1-CD1 4.26Å; Y105-L145 HydrophobicContact CD2-CD1 4.11Å; Y105-L145 HydrophobicContact CG-CD1 3.77Å |
| 106 | H | 83.6 | Confident | 81.8 | Confident | 17 Ų | 17 | 21.4 Ų | 21.4 | 8% | 0.079 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 174.4 | -77.1 | -89 | 0 | 0 | 0 | 111.4 | R102 L108 R109 D2335 | R102-H106 PolarHBondContact O-CD2 3.29Å; R102-H106 PolarHBondContact O-N 3.36Å; H106-L108 VanDerWaalsContact C-N 3.31Å; H106-L108 PolarHBondContact O-N 2.95Å; H106-R109 PolarHBondContact ND1-NH1 3.11Å; H106-R109 WeakPolarHBondContact O-CB 3.45Å; H106-R109 PolarHBondContact O-N 3.06Å; H106-R109 VanDerWaalsContact O-N 3.16Å; H106-D2335 IonicContact CE1-OD2 2.76Å; H106-D2335 PolarHBondContact CE1-OD2 2.96Å; H106-D2335 IonicContact ND1-OD2 3.22Å; H106-D2335 PolarHBondContact ND1-OD2 3.38Å |
| 107 | I | 84.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.6 | -34 | 177.7 | -65.5 | 167 | 0 | 0 | 0 | 111.7 | L43 I46 S103 Y105 R109 L110 P111 A2336 L2340 | L43-I107 HydrophobicContact CB-CD1 3.65Å; L43-I107 HydrophobicContact CD1-CD1 4.17Å; L43-I107 HydrophobicContact CD2-CD1 3.95Å; L43-I107 HydrophobicContact CD2-CG2 4.42Å; L43-I107 HydrophobicContact CG-CD1 4.11Å; I46-I107 HydrophobicContact CB-CG2 4.17Å; I46-I107 HydrophobicContact CG2-CG2 3.7Å; S103-I107 WeakPolarHBondContact O-CB 3.37Å; S103-I107 WeakPolarHBondContact O-CD1 3.5Å; S103-I107 VanDerWaalsContact O-CG1 3.23Å; S103-I107 WeakPolarHBondContact O-CG1 3.46Å; S103-I107 PolarHBondContact O-N 2.99Å; S103-I107 VanDerWaalsContact O-N 3.12Å; Y105-I107 PolarHBondContact O-N 3.11Å; I107-R109 VanDerWaalsContact C-N 3.3Å; I107-R109 PolarHBondContact O-N 3.07Å; I107-L110 PolarHBondContact O-N 2.66Å; I107-P111 WeakPolarHBondContact O-CD 3.43Å; I107-A2336 HydrophobicContact CG1-CB 4.25Å; I107-L2340 HydrophobicContact CD1-CD1 4.02Å; I107-L2340 HydrophobicContact CD1-CD2 3.71Å; I107-L2340 HydrophobicContact CD1-CG 3.75Å; I107-L2340 HydrophobicContact CG1-CD1 4.49Å; I107-L2340 HydrophobicContact CG1-CG 4.49Å |
| 108 | L | 86.1 | Confident | 81.6 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.2 | -18.8 | 175.7 | -75 | 172.7 | 0 | 0 | 0 | 113.8 | L76 V104 Y105 H106 L110 P111 L112 A123 C126 L127 | L76-L108 HydrophobicContact CD2-CD2 3.61Å; V104-L108 HydrophobicContact CG1-CD1 3.77Å; V104-L108 HydrophobicContact CG1-CG 4.39Å; V104-L108 WeakPolarHBondContact O-CB 3.45Å; V104-L108 VanDerWaalsContact O-CG 3.22Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 3.46Å; Y105-L108 PolarHBondContact O-N 3.12Å; H106-L108 VanDerWaalsContact C-N 3.31Å; H106-L108 PolarHBondContact O-N 2.95Å; L108-L110 VanDerWaalsContact C-N 3.3Å; L108-L110 PolarHBondContact O-N 3.05Å; L108-P111 HydrophobicContact CD2-CG 4.44Å; L108-P111 WeakPolarHBondContact O-CD 3.2Å; L108-P111 WeakPolarHBondContact O-CG 3.35Å; L108-L112 VanDerWaalsContact O-CD1 3.32Å; L108-L112 WeakPolarHBondContact O-CD1 3.31Å; L108-L112 WeakPolarHBondContact O-CG 3.21Å; L108-L112 PolarHBondContact O-N 3.19Å; L108-A123 HydrophobicContact CD2-CB 3.96Å; L108-C126 HydrophobicContact CD1-CB 3.88Å; L108-C126 HydrophobicContact CD2-CB 3.69Å; L108-C126 HydrophobicContact CG-CB 4.48Å; L108-L127 HydrophobicContact CD1-CD2 3.73Å; L108-L127 HydrophobicContact CD1-CG 4.18Å |
| 109 | R | 83.8 | Confident | 81.6 | Confident | 28 Ų | 28 | 18.2 Ų | 18.2 | 11% | 0.106 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | 171 | -65.7 | -175.8 | 178.9 | 159.8 | -0.7 | 111.7 | Y105 H106 I107 L112 W113 C143 L145 L148 L2332 D2335 | Y105-R109 PolarHBondContact O-N 3.48Å; H106-R109 PolarHBondContact ND1-NH1 3.11Å; H106-R109 WeakPolarHBondContact O-CB 3.45Å; H106-R109 PolarHBondContact O-N 3.06Å; H106-R109 VanDerWaalsContact O-N 3.16Å; I107-R109 VanDerWaalsContact C-N 3.3Å; I107-R109 PolarHBondContact O-N 3.07Å; R109-L112 PolarHBondContact O-N 3.43Å; R109-W113 WeakPolarHBondContact O-CB 3.42Å; R109-W113 PolarHBondContact O-N 3.16Å; R109-C143 PolarHBondContact NE-O 2.69Å; R109-C143 PolarHBondContact NH2-O 3.27Å; R109-L145 HydrophobicContact CG-CD2 3.88Å; R109-L148 HydrophobicContact CB-CD1 3.88Å; R109-L148 HydrophobicContact CG-CD1 3.91Å; R109-L2332 HydrophobicContact CB-CD2 4.44Å; R109-D2335 IonicContact CZ-OD2 2.77Å; R109-D2335 IonicContact NH1-OD2 3.77Å; R109-D2335 PolarHBondContact NH1-OD2 3.4Å |
| 110 | L | 81.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57 | -56 | -177 | -59.6 | 172.6 | 0 | 0 | 0 | 113.4 | Y47 F50 I107 L108 L112 W113 H114 L2329 L2332 M2333 A2336 | Y47-L110 HydrophobicContact CD2-CD1 4.46Å; F50-L110 HydrophobicContact CD2-CB 4.1Å; F50-L110 HydrophobicContact CD2-CD1 4.38Å; F50-L110 HydrophobicContact CE1-CB 4.49Å; F50-L110 HydrophobicContact CE2-CB 4.02Å; F50-L110 HydrophobicContact CG-CB 4.38Å; F50-L110 HydrophobicContact CZ-CB 4.25Å; I107-L110 PolarHBondContact O-N 2.66Å; L108-L110 VanDerWaalsContact C-N 3.3Å; L108-L110 PolarHBondContact O-N 3.05Å; L110-L112 VanDerWaalsContact C-N 3.3Å; L110-L112 PolarHBondContact O-N 3.46Å; L110-W113 PolarHBondContact O-N 3.08Å; L110-H114 PolarHBondContact O-N 3.44Å; L110-L2329 HydrophobicContact CD2-CD2 4.34Å; L110-L2332 HydrophobicContact CD2-CB 3.81Å; L110-M2333 HydrophobicContact CD1-SD 3.65Å; L110-M2333 HydrophobicContact CD2-CG 4.25Å; L110-M2333 HydrophobicContact CD2-SD 3.59Å; L110-M2333 VanDerWaalsContact CD2-SD 3.59Å; L110-M2333 HydrophobicContact CG-SD 4.26Å; L110-A2336 HydrophobicContact CD1-CB 3.96Å |
| 111 | P | 81.5 | Confident | 82 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71.1 | -16.7 | 176.7 | 29.5 | -36.8 | 0 | 0 | 0 | 114.7 | F50 L76 I107 L108 L119 R120 A123 | F50-P111 HydrophobicContact CE2-CB 4.06Å; F50-P111 HydrophobicContact CE2-CG 4.35Å; F50-P111 HydrophobicContact CZ-CB 3.84Å; L76-P111 HydrophobicContact CD1-CB 3.97Å; L76-P111 HydrophobicContact CD1-CG 4.14Å; L76-P111 HydrophobicContact CD2-CG 4.49Å; I107-P111 WeakPolarHBondContact O-CD 3.43Å; L108-P111 HydrophobicContact CD2-CG 4.44Å; L108-P111 WeakPolarHBondContact O-CD 3.2Å; L108-P111 WeakPolarHBondContact O-CG 3.35Å; P111-L119 HydrophobicContact CB-CB 4.38Å; P111-L119 HydrophobicContact CB-CD2 4.47Å; P111-R120 WeakPolarHBondContact O-CA 3.23Å; P111-R120 WeakPolarHBondContact O-CG 3.21Å; P111-R120 PolarHBondContact O-N 3.07Å; P111-A123 HydrophobicContact CB-CB 3.93Å; P111-A123 HydrophobicContact CG-CB 3.63Å |
| 112 | L | 82.5 | Confident | 82 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -77.7 | -33.7 | 170 | -68.7 | 169.1 | 0 | 0 | 0 | 112 | L108 R109 L110 R120 A123 L124 L127 L145 L148 R151 | L108-L112 VanDerWaalsContact O-CD1 3.32Å; L108-L112 WeakPolarHBondContact O-CD1 3.31Å; L108-L112 WeakPolarHBondContact O-CG 3.21Å; L108-L112 PolarHBondContact O-N 3.19Å; R109-L112 PolarHBondContact O-N 3.43Å; L110-L112 VanDerWaalsContact C-N 3.3Å; L110-L112 PolarHBondContact O-N 3.46Å; L112-R120 WeakPolarHBondContact O-CD 3.37Å; L112-A123 HydrophobicContact CD2-CB 3.82Å; L112-A123 HydrophobicContact CG-CB 3.86Å; L112-L124 HydrophobicContact CD2-CD2 3.73Å; L112-L124 HydrophobicContact CD2-CG 3.63Å; L112-L127 HydrophobicContact CD1-CD1 3.95Å; L112-L145 HydrophobicContact CD1-CD2 3.61Å; L112-L148 HydrophobicContact CB-CB 4.35Å; L112-L148 HydrophobicContact CB-CD1 4.37Å; L112-L148 HydrophobicContact CD1-CB 4.49Å; L112-R151 PolarHBondContact O-NH1 3.07Å |
| 113 | W | 76.6 | Confident | 82.2 | Confident | 25 Ų | 25 | 14.3 Ų | 14.3 | 10% | 0.095 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -72.6 | -37.8 | 179 | -154.2 | 90.3 | 0 | 0 | 0 | 112.2 | R109 L110 R151 F2324 F2327 L2329 L2332 | R109-W113 WeakPolarHBondContact O-CB 3.42Å; R109-W113 PolarHBondContact O-N 3.16Å; L110-W113 PolarHBondContact O-N 3.08Å; W113-R151 PolarHBondContact O-NH1 3.15Å; W113-R151 PolarHBondContact O-NH2 3.36Å; W113-F2324 VanDerWaalsContact CZ2-O 3.27Å; W113-F2324 WeakPolarHBondContact CZ2-O 3.44Å; W113-F2327 HydrophobicContact CH2-CB 4.21Å; W113-F2327 WeakPolarHBondContact CH2-O 3.35Å; W113-L2329 HydrophobicContact CB-CD2 4.34Å; W113-L2329 HydrophobicContact CD2-CD2 3.87Å; W113-L2329 HydrophobicContact CE3-CD1 4.31Å; W113-L2329 HydrophobicContact CE3-CD2 3.59Å; W113-L2329 HydrophobicContact CE3-CG 3.88Å; W113-L2329 HydrophobicContact CG-CD2 4.22Å; W113-L2329 HydrophobicContact CZ3-CD2 4.15Å; W113-L2329 HydrophobicContact CZ3-CG 4Å; W113-L2332 HydrophobicContact CB-CD1 4.49Å; W113-L2332 HydrophobicContact CG-CD1 4.15Å |
| 114 | H | 76.9 | Confident | 82.4 | Confident | 30 Ų | 30 | 14.2 Ų | 14.2 | 14% | 0.139 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -56 | 148 | -176.5 | -175.6 | -88.4 | 0 | 0 | 0 | 115.1 | F50 Q69 L110 N116 L119 R120 | F50-H114 HydrophobicContact CE1-CB 4.42Å; Q69-H114 PolarHBondContact NE2-CE1 2.93Å; L110-H114 PolarHBondContact O-N 3.44Å; H114-N116 PolarHBondContact ND1-N 3.01Å; H114-N116 VanDerWaalsContact ND1-N 3.15Å; H114-L119 VanDerWaalsContact CE1-CD1 3.49Å; H114-L119 WeakPolarHBondContact CE1-CD1 3.47Å; H114-L119 WeakPolarHBondContact ND1-CD1 3.29Å; H114-R120 WeakPolarHBondContact O-CD 3.38Å; H114-R120 WeakPolarHBondContact O-CG 3.32Å |
| 115 | H | 74.6 | Confident | 82.4 | Confident | 84 Ų | 84 | 17.8 Ų | 17.8 | 39% | 0.389 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -67.9 | -41.3 | -171.8 | -172.6 | 82.1 | 0 | 0 | 0 | 115.1 | P117 R120 I163 L2325 | H115-P117 WeakPolarHBondContact O-CD 3.37Å; H115-R120 PolarHBondContact O-NH1 2.92Å; H115-I163 WeakPolarHBondContact NE2-CD1 3.49Å; H115-L2325 HydrophobicContact CB-CD2 4.28Å |
| 116 | N | 78.3 | Confident | 82.3 | Confident | 27 Ų | 27 | 17.8 Ų | 17.8 | 14% | 0.144 | 9% | 0.085 | C | C | . | . | trans | -66.6 | 118.9 | -177 | -178.3 | -19.7 | 0 | 0 | 0 | 111.8 | Q69 H114 S118 L119 | Q69-N116 PolarHBondContact OE1-ND2 3.1Å; H114-N116 PolarHBondContact ND1-N 3.01Å; H114-N116 VanDerWaalsContact ND1-N 3.15Å; N116-S118 PolarHBondContact O-N 3.25Å; N116-S118 VanDerWaalsContact O-N 3.15Å; N116-S118 VanDerWaalsContact OD1-CB 3.23Å; N116-S118 WeakPolarHBondContact OD1-CB 3.41Å; N116-S118 PolarHBondContact OD1-N 3.38Å; N116-S118 PolarHBondContact OD1-OG 3Å; N116-L119 HydrophobicContact CB-CD1 4.49Å; N116-L119 PolarHBondContact O-N 2.81Å; N116-L119 VanDerWaalsContact O-N 3.13Å | ||
| 117 | P | 76.1 | Confident | 82.5 | Confident | 33 Ų | 33 | 17 Ų | 17 | 21% | 0.214 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.1 | -23.1 | -176.4 | 27 | -36.1 | 0 | 0 | 0 | 113.3 | H115 L119 R120 C121 | H115-P117 WeakPolarHBondContact O-CD 3.37Å; P117-L119 VanDerWaalsContact C-N 3.26Å; P117-L119 PolarHBondContact O-N 3.22Å; P117-R120 PolarHBondContact O-N 3.26Å; P117-C121 VanDerWaalsContact O-CB 3.28Å; P117-C121 WeakPolarHBondContact O-CB 3.41Å; P117-C121 PolarHBondContact O-N 2.86Å; P117-C121 PolarHBondContact O-SG 3.1Å |
| 118 | S | 77 | Confident | 82.6 | Confident | 32 Ų | 32 | 20.7 Ų | 20.7 | 22% | 0.224 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.9 | -33.3 | 177.7 | -45.1 | 0 | 0 | 0 | 0 | 112.2 | N116 A122 | N116-S118 PolarHBondContact O-N 3.25Å; N116-S118 VanDerWaalsContact O-N 3.15Å; N116-S118 VanDerWaalsContact OD1-CB 3.23Å; N116-S118 WeakPolarHBondContact OD1-CB 3.41Å; N116-S118 PolarHBondContact OD1-N 3.38Å; N116-S118 PolarHBondContact OD1-OG 3Å; S118-A122 PolarHBondContact O-N 3.17Å |
| 119 | L | 82 | Confident | 82.6 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -75.1 | -45.8 | 175.7 | -82.4 | 163.9 | 0 | 0 | 0 | 111.3 | Q69 I72 V73 L76 P111 H114 N116 P117 C121 A122 A123 | Q69-L119 HydrophobicContact CB-CD1 4.08Å; Q69-L119 HydrophobicContact CG-CD1 3.84Å; I72-L119 HydrophobicContact CB-CD2 3.73Å; I72-L119 HydrophobicContact CG2-CD2 3.37Å; V73-L119 HydrophobicContact CG2-CD2 3.57Å; V73-L119 HydrophobicContact CG2-CG 3.84Å; L76-L119 HydrophobicContact CD1-CD2 4.26Å; P111-L119 HydrophobicContact CB-CB 4.38Å; P111-L119 HydrophobicContact CB-CD2 4.47Å; H114-L119 VanDerWaalsContact CE1-CD1 3.49Å; H114-L119 WeakPolarHBondContact CE1-CD1 3.47Å; H114-L119 WeakPolarHBondContact ND1-CD1 3.29Å; N116-L119 HydrophobicContact CB-CD1 4.49Å; N116-L119 PolarHBondContact O-N 2.81Å; N116-L119 VanDerWaalsContact O-N 3.13Å; P117-L119 VanDerWaalsContact C-N 3.26Å; P117-L119 PolarHBondContact O-N 3.22Å; L119-C121 VanDerWaalsContact C-N 3.33Å; L119-C121 PolarHBondContact O-N 3Å; L119-A122 PolarHBondContact O-N 3.06Å; L119-A122 VanDerWaalsContact O-N 3.15Å; L119-A123 PolarHBondContact O-N 3.44Å |
| 120 | R | 85.1 | Confident | 82.7 | Confident | 13 Ų | 13 | 23.2 Ų | 23.2 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.2 | -46.9 | 174.7 | -56.1 | -164.6 | -56.2 | -133.4 | 4.4 | 111 | P111 L112 H114 H115 P117 A122 A123 L124 E265 | P111-R120 WeakPolarHBondContact O-CA 3.23Å; P111-R120 WeakPolarHBondContact O-CG 3.21Å; P111-R120 PolarHBondContact O-N 3.07Å; L112-R120 WeakPolarHBondContact O-CD 3.37Å; H114-R120 WeakPolarHBondContact O-CD 3.38Å; H114-R120 WeakPolarHBondContact O-CG 3.32Å; H115-R120 PolarHBondContact O-NH1 2.92Å; P117-R120 PolarHBondContact O-N 3.26Å; R120-A122 VanDerWaalsContact C-N 3.33Å; R120-A122 PolarHBondContact O-N 2.75Å; R120-A123 PolarHBondContact O-N 2.66Å; R120-L124 WeakPolarHBondContact O-CB 3.46Å; R120-L124 VanDerWaalsContact O-CG 3.23Å; R120-L124 WeakPolarHBondContact O-CG 3.41Å; R120-L124 PolarHBondContact O-N 3.36Å; R120-E265 WeakPolarHBondContact CB-OE1 3.42Å; R120-E265 IonicContact CZ-OE1 2.59Å; R120-E265 IonicContact CZ-OE2 3.81Å; R120-E265 IonicContact NE-OE1 2.76Å; R120-E265 PolarHBondContact NE-OE1 3.17Å; R120-E265 IonicContact NE-OE2 3.88Å; R120-E265 VanDerWaalsContact NH2-CD 3.3Å; R120-E265 IonicContact NH2-OE1 2.81Å; R120-E265 PolarHBondContact NH2-OE1 3.23Å; R120-E265 VanDerWaalsContact NH2-OE1 3.09Å; R120-E265 IonicContact NH2-OE2 3.55Å; R120-E265 PolarHBondContact NH2-OE2 3.09Å |
| 121 | C | 84.5 | Confident | 82.9 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60 | -37.5 | 176.3 | -70.9 | 0 | 0 | 0 | 0 | 113.6 | P117 L119 R125 L260 E265 I268 | P117-C121 VanDerWaalsContact O-CB 3.28Å; P117-C121 WeakPolarHBondContact O-CB 3.41Å; P117-C121 PolarHBondContact O-N 2.86Å; P117-C121 PolarHBondContact O-SG 3.1Å; L119-C121 VanDerWaalsContact C-N 3.33Å; L119-C121 PolarHBondContact O-N 3Å; C121-R125 WeakPolarHBondContact O-CB 3.39Å; C121-R125 PolarHBondContact O-N 3.13Å; C121-R125 VanDerWaalsContact O-N 3.15Å; C121-L260 HydrophobicContact CB-CD2 3.83Å; C121-L260 VanDerWaalsContact SG-CD2 3.56Å; C121-E265 VanDerWaalsContact SG-CB 3.59Å; C121-I268 HydrophobicContact CB-CD1 3.8Å |
| 122 | A | 84.5 | Confident | 83.1 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.9 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V73 L76 S118 L119 R120 R125 C126 | V73-A122 HydrophobicContact CG1-CB 4.42Å; L76-A122 HydrophobicContact CB-CB 3.91Å; L76-A122 HydrophobicContact CD1-CB 3.83Å; S118-A122 PolarHBondContact O-N 3.17Å; L119-A122 PolarHBondContact O-N 3.06Å; L119-A122 VanDerWaalsContact O-N 3.15Å; R120-A122 VanDerWaalsContact C-N 3.33Å; R120-A122 PolarHBondContact O-N 2.75Å; A122-R125 WeakPolarHBondContact O-CB 3.27Å; A122-R125 PolarHBondContact O-N 3.3Å; A122-C126 PolarHBondContact O-N 3.3Å; A122-C126 PolarHBondContact O-SG 3.24Å |
| 123 | A | 88.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.9 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L76 L108 P111 L112 L119 R120 R125 C126 L127 | L76-A123 HydrophobicContact CD1-CB 4.48Å; L108-A123 HydrophobicContact CD2-CB 3.96Å; P111-A123 HydrophobicContact CB-CB 3.93Å; P111-A123 HydrophobicContact CG-CB 3.63Å; L112-A123 HydrophobicContact CD2-CB 3.82Å; L112-A123 HydrophobicContact CG-CB 3.86Å; L119-A123 PolarHBondContact O-N 3.44Å; R120-A123 PolarHBondContact O-N 2.66Å; A123-R125 VanDerWaalsContact C-N 3.26Å; A123-R125 PolarHBondContact O-N 3.05Å; A123-C126 WeakPolarHBondContact O-CA 3.35Å; A123-C126 VanDerWaalsContact O-CB 3.31Å; A123-C126 WeakPolarHBondContact O-CB 3.31Å; A123-C126 PolarHBondContact O-N 3.1Å; A123-L127 PolarHBondContact O-N 3.21Å |
| 124 | L | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.5 | -37.8 | 172.1 | -69.2 | 163.9 | 0 | 0 | 0 | 111.5 | L112 R120 L127 R128 I149 C152 I268 V269 L272 | L112-L124 HydrophobicContact CD2-CD2 3.73Å; L112-L124 HydrophobicContact CD2-CG 3.63Å; R120-L124 WeakPolarHBondContact O-CB 3.46Å; R120-L124 VanDerWaalsContact O-CG 3.23Å; R120-L124 WeakPolarHBondContact O-CG 3.41Å; R120-L124 PolarHBondContact O-N 3.36Å; L124-L127 PolarHBondContact O-N 3.08Å; L124-R128 PolarHBondContact O-N 3.47Å; L124-I149 HydrophobicContact CD2-CG1 4.2Å; L124-C152 HydrophobicContact CD1-CB 4.16Å; L124-I268 HydrophobicContact CB-CG2 3.66Å; L124-I268 HydrophobicContact CD1-CG2 4.32Å; L124-V269 HydrophobicContact CD1-CG2 3.48Å; L124-V269 VanDerWaalsContact CD1-CG2 3.48Å; L124-V269 HydrophobicContact CD2-CG2 4.45Å; L124-L272 HydrophobicContact CB-CD2 4.44Å; L124-L272 HydrophobicContact CD2-CD2 3.71Å |
| 125 | R | 85.4 | Confident | 83.7 | Confident | 76 Ų | 76 | 31.6 Ų | 31.6 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.2 | -43 | 171.8 | -169.6 | -177.7 | -60.7 | 130.1 | 5 | 111.1 | N77 V80 C121 A122 A123 R128 Y129 | N77-R125 PolarHBondContact OD1-NH1 3.07Å; V80-R125 HydrophobicContact CG2-CG 4.2Å; C121-R125 WeakPolarHBondContact O-CB 3.39Å; C121-R125 PolarHBondContact O-N 3.13Å; C121-R125 VanDerWaalsContact O-N 3.15Å; A122-R125 WeakPolarHBondContact O-CB 3.27Å; A122-R125 PolarHBondContact O-N 3.3Å; A123-R125 VanDerWaalsContact C-N 3.26Å; A123-R125 PolarHBondContact O-N 3.05Å; R125-R128 PolarHBondContact O-N 2.72Å; R125-Y129 HydrophobicContact CG-CD2 4.21Å; R125-Y129 HydrophobicContact CG-CE2 4.04Å; R125-Y129 VanDerWaalsContact O-CD2 3.32Å; R125-Y129 WeakPolarHBondContact O-CD2 3.37Å; R125-Y129 PolarHBondContact O-N 3.07Å |
| 126 | C | 86.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.2 | -49.6 | 174.4 | -63 | 0 | 0 | 0 | 0 | 111.5 | L76 L79 V80 L108 A122 A123 R128 Y129 Y130 | L76-C126 PolarHBondContact O-SG 3.04Å; L76-C126 VanDerWaalsContact O-SG 3.35Å; L79-C126 HydrophobicContact CD2-CB 4.45Å; V80-C126 HydrophobicContact CG2-CB 4.44Å; L108-C126 HydrophobicContact CD1-CB 3.88Å; L108-C126 HydrophobicContact CD2-CB 3.69Å; L108-C126 HydrophobicContact CG-CB 4.48Å; A122-C126 PolarHBondContact O-N 3.3Å; A122-C126 PolarHBondContact O-SG 3.24Å; A123-C126 WeakPolarHBondContact O-CA 3.35Å; A123-C126 VanDerWaalsContact O-CB 3.31Å; A123-C126 WeakPolarHBondContact O-CB 3.31Å; A123-C126 PolarHBondContact O-N 3.1Å; C126-R128 VanDerWaalsContact C-N 3.26Å; C126-R128 PolarHBondContact O-N 2.94Å; C126-Y129 PolarHBondContact O-N 2.99Å; C126-Y130 WeakPolarHBondContact O-CD2 3.33Å; C126-Y130 PolarHBondContact O-N 3.44Å |
| 127 | L | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.6 | -44.1 | 177.9 | -70.9 | 178.3 | 0 | 0 | 0 | 112.2 | Y105 L108 L112 A123 L124 Y129 Y130 V131 L145 I149 L272 | Y105-L127 HydrophobicContact CD1-CD2 3.98Å; Y105-L127 HydrophobicContact CE1-CD2 4.04Å; L108-L127 HydrophobicContact CD1-CD2 3.73Å; L108-L127 HydrophobicContact CD1-CG 4.18Å; L112-L127 HydrophobicContact CD1-CD1 3.95Å; A123-L127 PolarHBondContact O-N 3.21Å; L124-L127 PolarHBondContact O-N 3.08Å; L127-Y129 PolarHBondContact O-N 3.26Å; L127-Y129 VanDerWaalsContact O-N 3.15Å; L127-Y130 PolarHBondContact O-N 3.15Å; L127-Y130 VanDerWaalsContact O-N 3.08Å; L127-V131 WeakPolarHBondContact O-CG2 3.03Å; L127-V131 PolarHBondContact O-N 3.13Å; L127-L145 HydrophobicContact CD2-CD1 3.96Å; L127-I149 HydrophobicContact CD1-CD1 4.16Å; L127-I149 HydrophobicContact CD1-CG1 4.32Å; L127-L272 HydrophobicContact CB-CD1 4.09Å; L127-L272 HydrophobicContact CB-CD2 4.02Å; L127-L272 HydrophobicContact CD1-CD2 4.01Å |
| 128 | R | 86.6 | Confident | 85 | Confident | 79 Ų | 79 | 29.7 Ų | 29.7 | 30% | 0.298 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.4 | -20.1 | 178.8 | -156.8 | -167.9 | 68 | 163.3 | 1 | 114.4 | L124 R125 C126 L272 Y275 | L124-R128 PolarHBondContact O-N 3.47Å; R125-R128 PolarHBondContact O-N 2.72Å; C126-R128 VanDerWaalsContact C-N 3.26Å; C126-R128 PolarHBondContact O-N 2.94Å; R128-L272 HydrophobicContact CB-CD1 3.94Å; R128-L272 HydrophobicContact CG-CD1 4.28Å; R128-Y275 HydrophobicContact CG-CD1 3.9Å; R128-Y275 HydrophobicContact CG-CE1 4.41Å; R128-Y275 HydrophobicContact CG-CG 4.28Å; R128-Y275 WeakPolarHBondContact O-CE1 3.44Å |
| 129 | Y | 86 | Confident | 85.3 | Confident | 84 Ų | 84 | 28.9 Ų | 28.9 | 33% | 0.329 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 2.9 | 177.2 | -75.3 | -82.3 | 0 | 0 | 0 | 113.4 | V80 S83 R125 C126 L127 H132 | V80-Y129 HydrophobicContact CG1-CD2 3.57Å; V80-Y129 HydrophobicContact CG1-CE2 3.73Å; V80-Y129 HydrophobicContact CG1-CG 4.01Å; V80-Y129 HydrophobicContact CG2-CD2 4.24Å; S83-Y129 WeakPolarHBondContact CB-O 3.23Å; R125-Y129 HydrophobicContact CG-CD2 4.21Å; R125-Y129 HydrophobicContact CG-CE2 4.04Å; R125-Y129 VanDerWaalsContact O-CD2 3.32Å; R125-Y129 WeakPolarHBondContact O-CD2 3.37Å; R125-Y129 PolarHBondContact O-N 3.07Å; C126-Y129 PolarHBondContact O-N 2.99Å; L127-Y129 PolarHBondContact O-N 3.26Å; L127-Y129 VanDerWaalsContact O-N 3.15Å; Y129-H132 PolarHBondContact O-CE1 2.92Å; Y129-H132 VanDerWaalsContact O-CE1 3.26Å |
| 130 | Y | 85.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -16.9 | 177.8 | -80.7 | -98.2 | 0 | 0 | 0 | 113.9 | L79 V86 F87 L101 V104 C126 L127 | L79-Y130 HydrophobicContact CD1-CE2 4.45Å; L79-Y130 WeakPolarHBondContact CD1-OH 3.35Å; L79-Y130 HydrophobicContact CG-CE2 3.94Å; L79-Y130 WeakPolarHBondContact O-CE2 3.45Å; L79-Y130 PolarHBondContact O-OH 3.46Å; V86-Y130 HydrophobicContact CG2-CE1 4.42Å; F87-Y130 AromaticContact CE2-CD1 3.97Å; F87-Y130 HydrophobicContact CE2-CD1 3.97Å; F87-Y130 HydrophobicContact CE2-CE1 4.41Å; F87-Y130 HydrophobicContact CE2-CG 4.32Å; F87-Y130 AromaticContact CZ-CD1 3.95Å; F87-Y130 HydrophobicContact CZ-CD1 3.95Å; F87-Y130 HydrophobicContact CZ-CG 4.42Å; F87-Y130 WeakPolarHBondContact CZ-O 3.41Å; L101-Y130 HydrophobicContact CD1-CD1 4.26Å; V104-Y130 HydrophobicContact CG1-CD1 4.15Å; V104-Y130 HydrophobicContact CG1-CG 4.32Å; C126-Y130 WeakPolarHBondContact O-CD2 3.33Å; C126-Y130 PolarHBondContact O-N 3.44Å; L127-Y130 PolarHBondContact O-N 3.15Å; L127-Y130 VanDerWaalsContact O-N 3.08Å |
| 131 | V | 86 | Confident | 85.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -82.7 | 127.4 | 163.8 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | Y105 L127 D136 V137 L140 Y275 L279 | Y105-V131 WeakPolarHBondContact OH-CG2 3.41Å; L127-V131 WeakPolarHBondContact O-CG2 3.03Å; L127-V131 PolarHBondContact O-N 3.13Å; V131-D136 HydrophobicContact CG1-CB 4.21Å; V131-V137 HydrophobicContact CG1-CG2 3.48Å; V131-V137 VanDerWaalsContact CG1-CG2 3.48Å; V131-L140 HydrophobicContact CG2-CD1 3.57Å; V131-Y275 HydrophobicContact CB-CE1 4.48Å; V131-Y275 WeakPolarHBondContact O-CE1 3.39Å; V131-Y275 PolarHBondContact O-OH 2.8Å; V131-L279 HydrophobicContact CG1-CD1 3.68Å | ||
| 132 | H | 85 | Confident | 85.3 | Confident | 84 Ų | 84 | 35 Ų | 35 | 39% | 0.389 | 17% | 0.169 | S | C | . | . | trans | -136.3 | -20.6 | 176.6 | -75.8 | 98.1 | 0 | 0 | 0 | 114.5 | F87 Y129 D136 | F87-H132 AromaticContact CD2-CE1 3.51Å; F87-H132 AromaticContact CD2-ND1 3.75Å; F87-H132 AromaticContact CE2-CE1 3.34Å; F87-H132 WeakPolarHBondContact CE2-CE1 3.38Å; F87-H132 AromaticContact CE2-ND1 3.37Å; F87-H132 WeakPolarHBondContact CE2-ND1 3.48Å; F87-H132 AromaticContact CZ-CE1 4Å; F87-H132 AromaticContact CZ-ND1 3.53Å; Y129-H132 PolarHBondContact O-CE1 2.92Å; Y129-H132 VanDerWaalsContact O-CE1 3.26Å; H132-D136 WeakPolarHBondContact CA-OD2 3.47Å; H132-D136 PolarHBondContact N-OD2 3.03Å | ||
| 133 | S | 84.1 | Confident | 85.1 | Confident | 26 Ų | 26 | 34.9 Ų | 34.9 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -137.4 | 167.9 | -174.2 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | V135 D136 V137 | S133-V135 VanDerWaalsContact C-N 3.3Å; S133-V135 PolarHBondContact O-N 2.71Å; S133-D136 WeakPolarHBondContact CB-OD2 3.03Å; S133-D136 PolarHBondContact N-OD2 3.26Å; S133-D136 WeakPolarHBondContact O-CB 3.26Å; S133-D136 PolarHBondContact O-N 3.2Å; S133-D136 PolarHBondContact OG-N 2.91Å; S133-D136 PolarHBondContact OG-OD1 2.94Å; S133-D136 PolarHBondContact OG-OD2 3.13Å; S133-V137 PolarHBondContact O-N 3.43Å |
| 134 | S | 81.3 | Confident | 84.6 | Confident | 61 Ų | 61 | 39 Ų | 39 | 43% | 0.427 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -56.2 | -42.5 | 175.1 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | D136 V137 E138 | S134-D136 VanDerWaalsContact C-N 3.29Å; S134-D136 PolarHBondContact O-N 3.3Å; S134-V137 CarbonylContact O-C 3.56Å; S134-V137 WeakPolarHBondContact O-CA 3.22Å; S134-V137 WeakPolarHBondContact O-CB 3.45Å; S134-V137 PolarHBondContact O-N 2.88Å; S134-E138 PolarHBondContact O-N 3.14Å |
| 135 | V | 82.9 | Confident | 84.4 | Confident | 60 Ų | 60 | 39 Ų | 39 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.6 | -36.8 | 178.4 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | S133 V137 E138 L139 | S133-V135 VanDerWaalsContact C-N 3.3Å; S133-V135 PolarHBondContact O-N 2.71Å; V135-V137 VanDerWaalsContact C-N 3.27Å; V135-V137 PolarHBondContact O-N 3.28Å; V135-E138 PolarHBondContact O-N 3.28Å; V135-L139 HydrophobicContact CG1-CD1 4.4Å; V135-L139 WeakPolarHBondContact O-CG 3.41Å; V135-L139 PolarHBondContact O-N 3.09Å |
| 136 | D | 87.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.8 | -30.5 | 174.7 | -49.9 | -47.2 | 0 | 0 | 0 | 111.6 | R97 L101 Y105 V131 H132 S133 S134 L140 | R97-D136 IonicContact CZ-OD1 3.58Å; R97-D136 VanDerWaalsContact CZ-OD1 3.31Å; R97-D136 IonicContact CZ-OD2 3.79Å; R97-D136 IonicContact NE-OD1 3.08Å; R97-D136 PolarHBondContact NE-OD1 3.44Å; R97-D136 IonicContact NH2-OD1 2.71Å; R97-D136 PolarHBondContact NH2-OD1 2.82Å; R97-D136 IonicContact NH2-OD2 3.46Å; R97-D136 PolarHBondContact NH2-OD2 2.85Å; L101-D136 HydrophobicContact CD2-CB 3.81Å; L101-D136 VanDerWaalsContact CD2-OD1 3.22Å; L101-D136 WeakPolarHBondContact CD2-OD1 3.48Å; Y105-D136 WeakPolarHBondContact CE2-O 3.46Å; Y105-D136 PolarHBondContact OH-O 3.13Å; V131-D136 HydrophobicContact CG1-CB 4.21Å; H132-D136 WeakPolarHBondContact CA-OD2 3.47Å; H132-D136 PolarHBondContact N-OD2 3.03Å; S133-D136 WeakPolarHBondContact CB-OD2 3.03Å; S133-D136 PolarHBondContact N-OD2 3.26Å; S133-D136 WeakPolarHBondContact O-CB 3.26Å; S133-D136 PolarHBondContact O-N 3.2Å; S133-D136 PolarHBondContact OG-N 2.91Å; S133-D136 PolarHBondContact OG-OD1 2.94Å; S133-D136 PolarHBondContact OG-OD2 3.13Å; S134-D136 VanDerWaalsContact C-N 3.29Å; S134-D136 PolarHBondContact O-N 3.3Å; D136-L140 WeakPolarHBondContact O-CB 3.43Å; D136-L140 PolarHBondContact O-N 3.04Å |
| 137 | V | 85 | Confident | 83.7 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.6 | -38.2 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | V131 S133 S134 V135 L139 L140 L141 I276 A280 L283 | V131-V137 HydrophobicContact CG1-CG2 3.48Å; V131-V137 VanDerWaalsContact CG1-CG2 3.48Å; S133-V137 PolarHBondContact O-N 3.43Å; S134-V137 CarbonylContact O-C 3.56Å; S134-V137 WeakPolarHBondContact O-CA 3.22Å; S134-V137 WeakPolarHBondContact O-CB 3.45Å; S134-V137 PolarHBondContact O-N 2.88Å; V135-V137 VanDerWaalsContact C-N 3.27Å; V135-V137 PolarHBondContact O-N 3.28Å; V137-L139 VanDerWaalsContact C-N 3.34Å; V137-L139 PolarHBondContact O-N 3.45Å; V137-L140 WeakPolarHBondContact O-CB 3.42Å; V137-L140 PolarHBondContact O-N 3.04Å; V137-L141 HydrophobicContact CG1-CD1 4.04Å; V137-L141 HydrophobicContact CG1-CG 4.41Å; V137-L141 VanDerWaalsContact O-CG 3.28Å; V137-L141 WeakPolarHBondContact O-CG 3.37Å; V137-L141 PolarHBondContact O-N 2.94Å; V137-I276 HydrophobicContact CG1-CG2 4.13Å; V137-I276 HydrophobicContact CG2-CG2 4.46Å; V137-A280 HydrophobicContact CB-CB 4.14Å; V137-A280 HydrophobicContact CG1-CB 4.17Å; V137-A280 HydrophobicContact CG2-CB 4.05Å; V137-L283 HydrophobicContact CB-CD1 4.06Å; V137-L283 HydrophobicContact CG1-CB 4.11Å; V137-L283 HydrophobicContact CG1-CD1 3.98Å |
| 138 | E | 84.7 | Confident | 83.4 | Confident | 102 Ų | 102 | 38.1 Ų | 38.1 | 48% | 0.477 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.6 | -45 | 173.6 | -66.7 | -179.8 | 162.1 | 0 | 0 | 110.9 | S134 V135 L140 L141 E142 L283 | S134-E138 PolarHBondContact O-N 3.14Å; V135-E138 PolarHBondContact O-N 3.28Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 3.2Å; E138-L141 PolarHBondContact O-N 3.38Å; E138-E142 WeakPolarHBondContact O-CB 3.44Å; E138-E142 PolarHBondContact O-N 3.06Å; E138-L283 HydrophobicContact CG-CD1 3.42Å; E138-L283 VanDerWaalsContact CG-CD1 3.42Å; E138-L283 HydrophobicContact CG-CD2 4.19Å; E138-L283 HydrophobicContact CG-CG 4.47Å |
| 139 | L | 84.3 | Confident | 83.3 | Confident | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -35.2 | 173.6 | -68.5 | 168.2 | 0 | 0 | 0 | 112.8 | T98 L101 Y105 V135 V137 L141 C143 | T98-L139 HydrophobicContact CG2-CD1 3.94Å; T98-L139 HydrophobicContact CG2-CD2 3.77Å; L101-L139 HydrophobicContact CD2-CD1 4.16Å; Y105-L139 HydrophobicContact CD2-CB 4.49Å; Y105-L139 HydrophobicContact CE2-CB 4.16Å; V135-L139 HydrophobicContact CG1-CD1 4.4Å; V135-L139 WeakPolarHBondContact O-CG 3.41Å; V135-L139 PolarHBondContact O-N 3.09Å; V137-L139 VanDerWaalsContact C-N 3.34Å; V137-L139 PolarHBondContact O-N 3.45Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-C143 VanDerWaalsContact O-CB 3.24Å; L139-C143 WeakPolarHBondContact O-CB 3.47Å; L139-C143 PolarHBondContact O-N 2.86Å; L139-C143 PolarHBondContact O-SG 3.39Å; L139-C143 VanDerWaalsContact O-SG 3.34Å |
| 140 | L | 87 | Confident | 83.1 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 174.6 | -175.6 | 155.4 | 0 | 0 | 0 | 111.6 | Y105 V131 D136 V137 E138 C143 R144 L145 I149 I276 | Y105-L140 HydrophobicContact CD2-CB 4.35Å; Y105-L140 HydrophobicContact CE2-CB 3.82Å; V131-L140 HydrophobicContact CG2-CD1 3.57Å; D136-L140 WeakPolarHBondContact O-CB 3.43Å; D136-L140 PolarHBondContact O-N 3.04Å; V137-L140 WeakPolarHBondContact O-CB 3.42Å; V137-L140 PolarHBondContact O-N 3.04Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 3.2Å; L140-C143 CarbonylContact O-C 3.46Å; L140-R144 PolarHBondContact O-N 2.96Å; L140-L145 HydrophobicContact CD2-CB 3.76Å; L140-L145 HydrophobicContact CG-CB 3.81Å; L140-L145 HydrophobicContact CG-CD1 3.96Å; L140-L145 PolarHBondContact O-N 3.13Å; L140-L145 VanDerWaalsContact O-N 3.09Å; L140-I149 HydrophobicContact CD2-CD1 4.31Å; L140-I276 HydrophobicContact CD1-CD1 4.34Å |
| 141 | L | 82.6 | Confident | 82.9 | Confident | 33 Ų | 33 | 31.2 Ų | 31.2 | 17% | 0.173 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -75.3 | -38.4 | 178.4 | -66.7 | 169 | 0 | 0 | 0 | 112.3 | V137 E138 L139 C143 R144 D146 L283 P285 | V137-L141 HydrophobicContact CG1-CD1 4.04Å; V137-L141 HydrophobicContact CG1-CG 4.41Å; V137-L141 VanDerWaalsContact O-CG 3.28Å; V137-L141 WeakPolarHBondContact O-CG 3.37Å; V137-L141 PolarHBondContact O-N 2.94Å; E138-L141 PolarHBondContact O-N 3.38Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L141-C143 VanDerWaalsContact C-N 3.29Å; L141-C143 PolarHBondContact O-N 3.44Å; L141-R144 WeakPolarHBondContact O-CA 3.47Å; L141-R144 WeakPolarHBondContact O-CD 3.43Å; L141-R144 PolarHBondContact O-N 3.44Å; L141-D146 HydrophobicContact CD2-CB 3.9Å; L141-L283 HydrophobicContact CD1-CB 3.94Å; L141-L283 WeakPolarHBondContact CD1-O 3.45Å; L141-P285 HydrophobicContact CD2-CB 4.26Å; L141-P285 HydrophobicContact CD2-CG 3.68Å |
| 142 | E | 81.7 | Confident | 82.8 | Confident | 108 Ų | 108 | 31.2 Ų | 31.2 | 51% | 0.505 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 170 | -159.3 | -152.3 | 149.5 | 0 | 0 | 110.6 | R102 E138 R144 | R102-E142 IonicContact CZ-OE1 3.23Å; R102-E142 VanDerWaalsContact CZ-OE1 3.25Å; R102-E142 IonicContact CZ-OE2 2.85Å; R102-E142 IonicContact NH1-OE1 3.74Å; R102-E142 PolarHBondContact NH1-OE1 3.17Å; R102-E142 IonicContact NH1-OE2 3.75Å; R102-E142 PolarHBondContact NH1-OE2 2.82Å; R102-E142 IonicContact NH2-OE1 2.81Å; R102-E142 PolarHBondContact NH2-OE1 3.19Å; R102-E142 IonicContact NH2-OE2 3.84Å; E138-E142 WeakPolarHBondContact O-CB 3.44Å; E138-E142 PolarHBondContact O-N 3.06Å; E142-R144 PolarHBondContact O-N 3.46Å; E142-R144 VanDerWaalsContact O-N 3.17Å |
| 143 | C | 79.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 3.2 | 170.1 | -72.4 | 0 | 0 | 0 | 0 | 114.3 | R109 L139 L140 L141 L145 | R109-C143 PolarHBondContact NE-O 2.69Å; R109-C143 PolarHBondContact NH2-O 3.27Å; L139-C143 VanDerWaalsContact O-CB 3.24Å; L139-C143 WeakPolarHBondContact O-CB 3.47Å; L139-C143 PolarHBondContact O-N 2.86Å; L139-C143 PolarHBondContact O-SG 3.39Å; L139-C143 VanDerWaalsContact O-SG 3.34Å; L140-C143 CarbonylContact O-C 3.46Å; L141-C143 VanDerWaalsContact C-N 3.29Å; L141-C143 PolarHBondContact O-N 3.44Å; C143-L145 HydrophobicContact CB-CD1 4.23Å; C143-L145 HydrophobicContact CB-CG 4.36Å; C143-L145 PolarHBondContact O-N 2.92Å; C143-L145 VanDerWaalsContact O-N 3.15Å |
| 144 | R | 79.2 | Confident | 82.4 | Confident | 87 Ų | 87 | 26.2 Ų | 26.2 | 33% | 0.328 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 29.6 | 175.5 | -64.5 | -62.9 | -151.7 | 134 | 12.8 | 114.5 | L140 L141 E142 D146 L147 T2301 D2305 | L140-R144 PolarHBondContact O-N 2.96Å; L141-R144 WeakPolarHBondContact O-CA 3.47Å; L141-R144 WeakPolarHBondContact O-CD 3.43Å; L141-R144 PolarHBondContact O-N 3.44Å; E142-R144 PolarHBondContact O-N 3.46Å; E142-R144 VanDerWaalsContact O-N 3.17Å; R144-D146 VanDerWaalsContact C-N 3.29Å; R144-D146 PolarHBondContact O-N 3.11Å; R144-L147 HydrophobicContact CB-CD1 4.29Å; R144-T2301 HydrophobicContact CG-CG2 4.1Å; R144-D2305 IonicContact CZ-OD1 3.44Å; R144-D2305 IonicContact CZ-OD2 3.49Å; R144-D2305 IonicContact NH1-OD1 3.76Å; R144-D2305 PolarHBondContact NH1-OD1 3.25Å; R144-D2305 IonicContact NH1-OD2 2.69Å; R144-D2305 PolarHBondContact NH1-OD2 3.41Å; R144-D2305 IonicContact NH2-OD1 2.75Å; R144-D2305 IonicContact NH2-OD2 3.92Å; R144-D2305 PolarHBondContact NH2-OD2 2.93Å |
| 145 | L | 84 | Confident | 82.2 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.9 | -20.2 | -177.1 | -83.7 | 164.8 | 0 | 0 | 0 | 113.2 | Y105 R109 L112 L127 L140 C143 L147 L148 I149 | Y105-L145 HydrophobicContact CD1-CD1 4.26Å; Y105-L145 HydrophobicContact CD2-CD1 4.11Å; Y105-L145 HydrophobicContact CG-CD1 3.77Å; R109-L145 HydrophobicContact CG-CD2 3.88Å; L112-L145 HydrophobicContact CD1-CD2 3.61Å; L127-L145 HydrophobicContact CD2-CD1 3.96Å; L140-L145 HydrophobicContact CD2-CB 3.76Å; L140-L145 HydrophobicContact CG-CB 3.81Å; L140-L145 HydrophobicContact CG-CD1 3.96Å; L140-L145 PolarHBondContact O-N 3.13Å; L140-L145 VanDerWaalsContact O-N 3.09Å; C143-L145 HydrophobicContact CB-CD1 4.23Å; C143-L145 HydrophobicContact CB-CG 4.36Å; C143-L145 PolarHBondContact O-N 2.92Å; C143-L145 VanDerWaalsContact O-N 3.15Å; L145-L147 VanDerWaalsContact C-N 3.28Å; L145-L147 PolarHBondContact O-N 3.32Å; L145-L148 HydrophobicContact CD2-CD1 4.29Å; L145-L148 PolarHBondContact O-N 3.43Å; L145-L148 VanDerWaalsContact O-N 3.15Å; L145-I149 WeakPolarHBondContact O-CG1 3.34Å; L145-I149 PolarHBondContact O-N 2.67Å |
| 146 | D | 79.2 | Confident | 82 | Confident | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.4 | -39.1 | 176.1 | 65.6 | -59.9 | 0 | 0 | 0 | 112.8 | L141 R144 L148 I149 A150 P285 S287 I288 | L141-D146 HydrophobicContact CD2-CB 3.9Å; R144-D146 VanDerWaalsContact C-N 3.29Å; R144-D146 PolarHBondContact O-N 3.11Å; D146-L148 VanDerWaalsContact C-N 3.31Å; D146-L148 PolarHBondContact O-N 3.39Å; D146-I149 PolarHBondContact O-N 2.94Å; D146-A150 WeakPolarHBondContact O-CB 3.44Å; D146-A150 PolarHBondContact O-N 3.05Å; D146-P285 HydrophobicContact CB-CG 3.55Å; D146-S287 WeakPolarHBondContact OD2-CB 3.37Å; D146-S287 PolarHBondContact OD2-OG 3.1Å; D146-I288 HydrophobicContact CB-CD1 3.87Å; D146-I288 HydrophobicContact CB-CG1 4.17Å |
| 147 | L | 78.2 | Confident | 81.2 | Confident | 27 Ų | 27 | 22 Ų | 22 | 14% | 0.141 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | 177.6 | -60.9 | 168.5 | 0 | 0 | 0 | 111.2 | R144 L145 R151 A2304 | R144-L147 HydrophobicContact CB-CD1 4.29Å; L145-L147 VanDerWaalsContact C-N 3.28Å; L145-L147 PolarHBondContact O-N 3.32Å; L147-R151 WeakPolarHBondContact O-CB 3.3Å; L147-R151 PolarHBondContact O-N 2.85Å; L147-A2304 HydrophobicContact CB-CB 4.29Å; L147-A2304 HydrophobicContact CD1-CB 3.5Å; L147-A2304 HydrophobicContact CD2-CB 3.93Å; L147-A2304 HydrophobicContact CG-CB 4.09Å |
| 148 | L | 81 | Confident | 80.3 | Confident | 24 Ų | 24 | 27.1 Ų | 27.1 | 13% | 0.126 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -75 | -36.5 | 174.2 | -63.2 | -178.9 | 0 | 0 | 0 | 112.1 | R109 L112 L145 D146 R151 C152 | R109-L148 HydrophobicContact CB-CD1 3.88Å; R109-L148 HydrophobicContact CG-CD1 3.91Å; L112-L148 HydrophobicContact CB-CB 4.35Å; L112-L148 HydrophobicContact CB-CD1 4.37Å; L112-L148 HydrophobicContact CD1-CB 4.49Å; L145-L148 HydrophobicContact CD2-CD1 4.29Å; L145-L148 PolarHBondContact O-N 3.43Å; L145-L148 VanDerWaalsContact O-N 3.15Å; D146-L148 VanDerWaalsContact C-N 3.31Å; D146-L148 PolarHBondContact O-N 3.39Å; L148-R151 PolarHBondContact O-N 2.94Å; L148-C152 PolarHBondContact O-N 2.9Å; L148-C152 PolarHBondContact O-SG 3.11Å; L148-C152 VanDerWaalsContact O-SG 3.35Å |
| 149 | I | 85.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 173.3 | -67.3 | 163.5 | 0 | 0 | 0 | 110.5 | L124 L127 L140 L145 D146 C152 M153 V269 L272 I273 I276 | L124-I149 HydrophobicContact CD2-CG1 4.2Å; L127-I149 HydrophobicContact CD1-CD1 4.16Å; L127-I149 HydrophobicContact CD1-CG1 4.32Å; L140-I149 HydrophobicContact CD2-CD1 4.31Å; L145-I149 WeakPolarHBondContact O-CG1 3.34Å; L145-I149 PolarHBondContact O-N 2.67Å; D146-I149 PolarHBondContact O-N 2.94Å; I149-C152 WeakPolarHBondContact O-CB 3.36Å; I149-C152 PolarHBondContact O-N 3.18Å; I149-M153 PolarHBondContact O-N 3.31Å; I149-V269 HydrophobicContact CG2-CG1 4.37Å; I149-L272 HydrophobicContact CD1-CD2 3.92Å; I149-L272 HydrophobicContact CG1-CD2 4.12Å; I149-I273 HydrophobicContact CG2-CD1 4.28Å; I149-I273 HydrophobicContact CG2-CG1 3.99Å; I149-I276 HydrophobicContact CD1-CD1 4.27Å |
| 150 | A | 82.1 | Confident | 77.1 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.033 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D146 C152 M153 D154 A291 | D146-A150 WeakPolarHBondContact O-CB 3.44Å; D146-A150 PolarHBondContact O-N 3.05Å; A150-C152 VanDerWaalsContact C-N 3.35Å; A150-C152 PolarHBondContact O-N 3.4Å; A150-M153 WeakPolarHBondContact O-CB 3.49Å; A150-M153 PolarHBondContact O-N 3.23Å; A150-M153 VanDerWaalsContact O-N 3.07Å; A150-D154 PolarHBondContact O-N 3.02Å; A150-A291 HydrophobicContact CB-CB 3.93Å |
| 151 | R | 81.5 | Confident | 74.6 | Confident | 14 Ų | 14 | 35 Ų | 35 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -40.9 | 174.1 | 177.4 | 173.4 | 176 | -91.3 | 21.5 | 112.7 | L112 W113 L147 L148 L155 Q2321 F2324 | L112-R151 PolarHBondContact O-NH1 3.07Å; W113-R151 PolarHBondContact O-NH1 3.15Å; W113-R151 PolarHBondContact O-NH2 3.36Å; L147-R151 WeakPolarHBondContact O-CB 3.3Å; L147-R151 PolarHBondContact O-N 2.85Å; L148-R151 PolarHBondContact O-N 2.94Å; R151-L155 HydrophobicContact CG-CD1 3.67Å; R151-L155 HydrophobicContact CG-CG 4.23Å; R151-L155 WeakPolarHBondContact O-CB 3.5Å; R151-L155 VanDerWaalsContact O-CG 3.26Å; R151-L155 WeakPolarHBondContact O-CG 3.48Å; R151-L155 PolarHBondContact O-N 2.97Å; R151-Q2321 HydrophobicContact CB-CG 4.49Å; R151-Q2321 HydrophobicContact CG-CB 4.2Å; R151-Q2321 HydrophobicContact CG-CG 4.23Å; R151-F2324 PolarHBondContact NH2-O 3.04Å |
| 152 | C | 82.3 | Confident | 72.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 172.1 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | L124 L148 I149 A150 S156 V269 | L124-C152 HydrophobicContact CD1-CB 4.16Å; L148-C152 PolarHBondContact O-N 2.9Å; L148-C152 PolarHBondContact O-SG 3.11Å; L148-C152 VanDerWaalsContact O-SG 3.35Å; I149-C152 WeakPolarHBondContact O-CB 3.36Å; I149-C152 PolarHBondContact O-N 3.18Å; A150-C152 VanDerWaalsContact C-N 3.35Å; A150-C152 PolarHBondContact O-N 3.4Å; C152-S156 VanDerWaalsContact O-CB 3.27Å; C152-S156 WeakPolarHBondContact O-CB 3.49Å; C152-S156 PolarHBondContact O-N 2.67Å; C152-S156 VanDerWaalsContact O-N 3.15Å; C152-S156 PolarHBondContact O-OG 3.39Å; C152-V269 HydrophobicContact CB-CG2 3.97Å |
| 153 | M | 82.6 | Confident | 69.9 | Low | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 178.2 | -163.3 | 165.6 | 178.2 | 0 | 0 | 111.9 | I149 A150 S156 Y157 V269 L270 I273 A291 V292 | I149-M153 PolarHBondContact O-N 3.31Å; A150-M153 WeakPolarHBondContact O-CB 3.49Å; A150-M153 PolarHBondContact O-N 3.23Å; A150-M153 VanDerWaalsContact O-N 3.07Å; M153-S156 PolarHBondContact O-N 3.22Å; M153-S156 PolarHBondContact O-OG 3.21Å; M153-Y157 WeakPolarHBondContact O-CD2 3.5Å; M153-Y157 WeakPolarHBondContact O-CE2 3.22Å; M153-V269 HydrophobicContact CB-CG1 3.79Å; M153-V269 HydrophobicContact CG-CG1 4.04Å; M153-V269 HydrophobicContact SD-CG1 4.34Å; M153-L270 HydrophobicContact CE-CD2 3.7Å; M153-L270 HydrophobicContact CE-CG 4.48Å; M153-I273 HydrophobicContact SD-CD1 3.73Å; M153-A291 HydrophobicContact CB-CB 4.45Å; M153-A291 HydrophobicContact SD-CB 4.16Å; M153-V292 HydrophobicContact CE-CB 4.33Å; M153-V292 HydrophobicContact CE-CG2 4Å; M153-V292 HydrophobicContact SD-CG2 3.82Å |
| 154 | D | 79.5 | Confident | 67.5 | Low | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -52.4 | -178.4 | -75 | -47.6 | 0 | 0 | 0 | 112.2 | A150 S156 Y157 R2314 R2317 T2318 Q2321 | A150-D154 PolarHBondContact O-N 3.02Å; D154-S156 PolarHBondContact O-N 3.19Å; D154-Y157 PolarHBondContact O-N 3.36Å; D154-R2314 PolarHBondContact O-NH2 3.02Å; D154-R2317 IonicContact OD1-CZ 3.16Å; D154-R2317 IonicContact OD1-NH1 3.36Å; D154-R2317 PolarHBondContact OD1-NH1 3.43Å; D154-R2317 IonicContact OD1-NH2 3.12Å; D154-R2317 IonicContact OD2-CZ 2.9Å; D154-R2317 IonicContact OD2-NH1 2.65Å; D154-R2317 PolarHBondContact OD2-NH1 3.36Å; D154-R2317 IonicContact OD2-NH2 2.68Å; D154-R2317 PolarHBondContact OD2-NH2 2.76Å; D154-T2318 HydrophobicContact CB-CG2 3.92Å; D154-T2318 WeakPolarHBondContact O-CG2 3.38Å; D154-Q2321 PolarHBondContact OD2-NE2 2.94Å |
| 155 | L | 77.5 | Confident | 64.9 | Low | 12 Ų | 12 | 44.9 Ų | 44.9 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -24.5 | -179.7 | -67.8 | 175.9 | 0 | 0 | 0 | 112.9 | R151 Y157 Y158 Q2321 L2325 | R151-L155 HydrophobicContact CG-CD1 3.67Å; R151-L155 HydrophobicContact CG-CG 4.23Å; R151-L155 WeakPolarHBondContact O-CB 3.5Å; R151-L155 VanDerWaalsContact O-CG 3.26Å; R151-L155 WeakPolarHBondContact O-CG 3.48Å; R151-L155 PolarHBondContact O-N 2.97Å; L155-Y157 PolarHBondContact O-N 3.25Å; L155-Y158 WeakPolarHBondContact O-CB 3.42Å; L155-Y158 PolarHBondContact O-N 3.09Å; L155-Q2321 HydrophobicContact CD2-CB 4.32Å; L155-L2325 HydrophobicContact CD1-CD2 4.5Å |
| 156 | S | 77.3 | Confident | 62.1 | Low | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 4.2 | -179.4 | 74.3 | 0 | 0 | 0 | 0 | 115.8 | C152 M153 D154 S262 R266 | C152-S156 VanDerWaalsContact O-CB 3.27Å; C152-S156 WeakPolarHBondContact O-CB 3.49Å; C152-S156 PolarHBondContact O-N 2.67Å; C152-S156 VanDerWaalsContact O-N 3.15Å; C152-S156 PolarHBondContact O-OG 3.39Å; M153-S156 PolarHBondContact O-N 3.22Å; M153-S156 PolarHBondContact O-OG 3.21Å; D154-S156 PolarHBondContact O-N 3.19Å; S156-S262 WeakPolarHBondContact O-CB 3.44Å; S156-R266 PolarHBondContact O-NH1 3.31Å; S156-R266 WeakPolarHBondContact OG-CG 3.47Å |
| 157 | Y | 70.6 | Confident | 59.5 | Low | 19 Ų | 19 | 56.1 Ų | 56.1 | 8% | 0.075 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 26.9 | 162.9 | -22.5 | -141.7 | 0 | 0 | 0 | 112.7 | M153 D154 L155 R266 P295 L358 | M153-Y157 WeakPolarHBondContact O-CD2 3.5Å; M153-Y157 WeakPolarHBondContact O-CE2 3.22Å; D154-Y157 PolarHBondContact O-N 3.36Å; L155-Y157 PolarHBondContact O-N 3.25Å; Y157-R266 HydrophobicContact CD2-CG 4.39Å; Y157-R266 HydrophobicContact CE2-CG 4.14Å; Y157-P295 HydrophobicContact CE2-CG 4.44Å; Y157-L358 HydrophobicContact CD1-CD1 4.19Å; Y157-L358 HydrophobicContact CE1-CD1 4.05Å |
| 158 | Y | 65.9 | Low | 57.1 | Low | 110 Ų | 110 | 61.9 Ų | 61.9 | 43% | 0.431 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -81.9 | 135.1 | 165.8 | -166.6 | -92 | 0 | 0 | 0 | 109.9 | L155 T160 | L155-Y158 WeakPolarHBondContact O-CB 3.42Å; L155-Y158 PolarHBondContact O-N 3.09Å; Y158-T160 PolarHBondContact O-N 2.9Å |
| 159 | P | 54.1 | Low | 54.4 | Low | 57 Ų | 57 | 66.4 Ų | 66.4 | 37% | 0.37 | 39% | 0.385 | S | S | . | . | trans | -74 | 127.1 | -178.6 | 29.2 | -33.7 | 0 | 0 | 0 | 111.6 | N161 | P159-N161 PolarHBondContact O-N 2.91Å; P159-N161 VanDerWaalsContact O-N 3.08Å | ||
| 160 | T | 48.6 | Very low | 51.6 | Low | 99 Ų | 99 | 69.9 Ų | 69.9 | 61% | 0.607 | 42% | 0.421 | S | S | * | . | trans | -77.2 | 9.9 | -169.6 | 46.4 | 0 | 0 | 0 | 0 | 115.8 | Y158 F162 | Y158-T160 PolarHBondContact O-N 2.9Å; T160-F162 VanDerWaalsContact C-N 3.33Å; T160-F162 PolarHBondContact O-N 3.22Å | ||
| 161 | N | 34.8 | Very low | 49 | Very low | 128 Ų | 128 | 77.5 Ų | 77.5 | 68% | 0.684 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 7.4 | -162.8 | -67.3 | 7.1 | 0 | 0 | 0 | 115.5 | P159 | P159-N161 PolarHBondContact O-N 2.91Å; P159-N161 VanDerWaalsContact O-N 3.08Å |
| 162 | F | 30.3 | Very low | 46.3 | Very low | 134 Ų | 134 | 81.7 Ų | 81.7 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 2.3 | -174 | -105.9 | -83.2 | 0 | 0 | 0 | 115.4 | T160 V348 | T160-F162 VanDerWaalsContact C-N 3.33Å; T160-F162 PolarHBondContact O-N 3.22Å; F162-V348 HydrophobicContact CE2-CG2 4.31Å |
| 163 | I | 35.4 | Very low | 43.6 | Very low | 115 Ų | 115 | 87.1 Ų | 87.1 | 59% | 0.59 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -95.8 | -8 | -174 | -59.9 | 145.9 | 0 | 0 | 0 | 112 | H115 | H115-I163 WeakPolarHBondContact NE2-CD1 3.49Š|
| 164 | S | 27.5 | Very low | 40.8 | Very low | 115 Ų | 115 | 91.3 Ų | 91.3 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -93.5 | 10.2 | -178.3 | 53.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 165 | S | 24.5 | Very low | 38.3 | Very low | 72 Ų | 72 | 97.9 Ų | 97.9 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -139.4 | 66.6 | -171.9 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 166 | N | 25.1 | Very low | 36 | Very low | 172 Ų | 172 | 102.4 Ų | 102.4 | 92% | 0.92 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -162.3 | 126.5 | 151.1 | -102.5 | -21.9 | 0 | 0 | 0 | 111.1 | ||
| 167 | G | 25.9 | Very low | 33.4 | Very low | 71 Ų | 71 | 113.1 Ų | 113.1 | 73% | 0.732 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 81.7 | 42.5 | 150 | 0 | 0 | 0 | 0 | 0 | 121 | ||
| 168 | L | 27.8 | Very low | 31.4 | Very low | 148 Ų | 148 | 118 Ų | 118 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | trans | -139.8 | 76.2 | 156.5 | -86.2 | -174.2 | 0 | 0 | 0 | 112.6 | V62 | V62-L168 HydrophobicContact CG2-CD1 4.1Š| ||
| 169 | S | 23.7 | Very low | 29.6 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | trans | -116.9 | 105.5 | 171.9 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 170 | G | 26.8 | Very low | 28.2 | Very low | 73 Ų | 73 | 121.4 Ų | 121.4 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | 89.2 | 108.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 171 | N | 27.1 | Very low | 27.1 | Very low | 163 Ų | 163 | 124.5 Ų | 124.5 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | trans | -141.1 | 138.5 | 139.1 | -97.8 | -18.9 | 0 | 0 | 0 | 107.8 | ||||
| 172 | S | 25.1 | Very low | 27.2 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | -174.5 | 132.1 | -32.4 | 44.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 173 | S | 25.3 | Very low | 26.8 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -144.4 | 100.2 | 155.3 | 55.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 174 | A | 25 | Very low | 26.2 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | 60.2 | 120.3 | 75.2 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 175 | T | 26.1 | Very low | 25.9 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | cis | -124.3 | -172.9 | 14.9 | 62 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 176 | S | 28.1 | Very low | 26 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | cis | -147 | -102.3 | 12.9 | 59.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 177 | R | 23.6 | Very low | 25.8 | Very low | 226 Ų | 226 | 136.6 Ų | 136.6 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -153.9 | 162.5 | -164.6 | -65.2 | -177.5 | 173 | 148.6 | -3.4 | 108.2 | ||||
| 178 | V | 29 | Very low | 25.7 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | -162.1 | 147.2 | 57.3 | 163.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 179 | N | 27.3 | Very low | 25.4 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 6.7 | 155.8 | 151.3 | -52.7 | 3.8 | 0 | 0 | 0 | 121.9 | ||||
| 180 | S | 24.7 | Very low | 25.5 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | cis | -178.3 | 134.5 | -18.5 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 181 | N | 25.4 | Very low | 25.4 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | 62.3 | 161.6 | 151.6 | -82.8 | 5.5 | 0 | 0 | 0 | 122.3 | ||||
| 182 | P | 37.7 | Very low | 26 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -132.3 | 170 | -145.1 | 44 | -30.3 | 0 | 0 | 0 | 118 | ||||
| 183 | R | 21.9 | Very low | 26.2 | Very low | 234 Ų | 234 | 140.5 Ų | 140.5 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -167.7 | 132.4 | 143.6 | -117.6 | 177.1 | 179.9 | 168.7 | 0.4 | 117.1 | ||||
| 184 | T | 22.7 | Very low | 26.3 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | 49.3 | 122.5 | 143.3 | 50.1 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 185 | K | 21.7 | Very low | 26.2 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | 80.7 | 157.9 | 132.9 | -74.9 | -172 | 175.6 | -176.8 | 0 | 121.6 | ||||
| 186 | F | 24.9 | Very low | 26.4 | Very low | 191 Ų | 191 | 141 Ų | 141 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | 70.7 | 130 | -172.2 | -60.6 | -88.5 | 0 | 0 | 0 | 115.1 | ||||
| 187 | L | 22.1 | Very low | 26.3 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | cis | 96.4 | 148.8 | 37.5 | -108.8 | 175.6 | 0 | 0 | 0 | 114.1 | ||||
| 188 | V | 24.4 | Very low | 26.3 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 85 | 150.8 | 173.6 | -172.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 189 | T | 21.7 | Very low | 26.2 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -111.7 | 139.2 | -156.8 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 190 | S | 25.3 | Very low | 26.1 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -172.7 | 121.1 | 143.2 | 43 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 191 | N | 23.3 | Very low | 26 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | 62.5 | 139.8 | 62.2 | -97.4 | 10.4 | 0 | 0 | 0 | 115.9 | |||||
| 192 | P | 40.7 | Very low | 26 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | -91.8 | -163.6 | -169.1 | 47.8 | -42.9 | 0 | 0 | 0 | 109.6 | ||||
| 193 | P | 29.3 | Very low | 25.3 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | cis | -119.1 | -166.4 | 31.5 | 25.5 | 1.8 | 0 | 0 | 0 | 111.8 | ||||
| 194 | I | 27.7 | Very low | 25.4 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | cis | -155.6 | 147.7 | 47 | -80.4 | 174.8 | 0 | 0 | 0 | 112.2 | ||||
| 195 | S | 23.2 | Very low | 25.4 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -51.4 | 160 | 171.4 | 57.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 196 | S | 29.4 | Very low | 25.5 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | -157.9 | 153.8 | 82.9 | 58.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 197 | T | 27.1 | Very low | 25.4 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 45.9 | 105 | 149.3 | 53.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 198 | C | 23.3 | Very low | 25.4 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | cis | 59.1 | 107.1 | 23.1 | -65.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 199 | N | 26.5 | Very low | 25.4 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -167.4 | 145.9 | 145.7 | -98.2 | -13.7 | 0 | 0 | 0 | 105.8 | ||||
| 200 | S | 24.4 | Very low | 25.5 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | cis | -171.9 | 163.5 | -10.6 | 41.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 201 | S | 24.1 | Very low | 25.4 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | -161.9 | 174 | -13.9 | 43.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 202 | S | 23.9 | Very low | 25.5 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | -87 | -165.7 | 166.4 | 54.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 203 | C | 23.1 | Very low | 24.6 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | trans | 80.1 | 159.3 | 171.5 | -50.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 204 | Q | 24.6 | Very low | 24.5 | Very low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | cis | -151.1 | -167.2 | -5.6 | -137.4 | 154.8 | -29 | 0 | 0 | 111.9 | ||||
| 205 | L | 22.7 | Very low | 24.5 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | trans | -72.7 | 162.6 | 173 | -80.9 | 160.9 | 0 | 0 | 0 | 113.4 | ||||
| 206 | S | 24.4 | Very low | 24.7 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | -32 | 163.8 | 162.2 | 55.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 207 | E | 22.1 | Very low | 24.6 | Very low | 175 Ų | 175 | 133 Ų | 133 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | cis | -141.6 | 179.3 | 35.8 | -79.7 | -178 | 141.6 | 0 | 0 | 115.8 | ||||
| 208 | E | 21.1 | Very low | 24.6 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | 10.4 | 133.9 | 160.7 | -58 | -168.2 | 159.6 | 0 | 0 | 120 | ||||
| 209 | S | 25.6 | Very low | 24.7 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | -167.8 | -177 | 68.4 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 210 | S | 22.7 | Very low | 24.7 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | -133.5 | 151 | -159.2 | 70.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 211 | N | 23.2 | Very low | 24.6 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | 68.3 | 136.7 | 167.6 | -50.9 | -67.1 | 0 | 0 | 0 | 114.7 | ||||
| 212 | R | 25.5 | Very low | 24.5 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | -150.7 | 138.7 | 53.5 | -90.2 | -178.5 | 179.3 | -123.9 | 11 | 111.6 | |||||
| 213 | Q | 23 | Very low | 24.4 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | 73.8 | 121.1 | 90.9 | -140.3 | -180 | 12.6 | 0 | 0 | 110.6 | |||||
| 214 | L | 26.3 | Very low | 24.4 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | -170.5 | 152.4 | 73.3 | -94.4 | 164.6 | 0 | 0 | 0 | 112.6 | |||||
| 215 | I | 27.9 | Very low | 24.3 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | 67.9 | 129.3 | 155.3 | -60.4 | 158 | 0 | 0 | 0 | 115.4 | ||||
| 216 | S | 28.4 | Very low | 24.4 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -139.2 | 161.1 | 9.4 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 217 | D | 26 | Very low | 24.4 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | trans | 61.7 | 109.8 | 154.9 | -56.4 | -11.1 | 0 | 0 | 0 | 118.8 | ||||
| 218 | H | 27.6 | Very low | 24.5 | Very low | 156 Ų | 156 | 135 Ų | 135 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | 75.1 | 130.4 | 74.8 | -68.9 | -4.6 | 0 | 0 | 0 | 113.7 | |||||
| 219 | Y | 26.6 | Very low | 24.6 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | cis | -166.1 | 154 | -10 | -134.5 | -54.5 | 0 | 0 | 0 | 110.2 | ||||
| 220 | Q | 25.6 | Very low | 24.4 | Very low | 171 Ų | 171 | 132 Ų | 132 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | trans | 75.4 | 172 | 143.8 | -108 | 163.7 | 28 | 0 | 0 | 121.1 | ||||
| 221 | S | 21.8 | Very low | 24.5 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | trans | -115.8 | 160.1 | -163 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 222 | S | 22.3 | Very low | 24.6 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | trans | 61.4 | 72.6 | 150.2 | -54.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 223 | G | 22.2 | Very low | 24.4 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -167.5 | 126.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 224 | V | 23.1 | Very low | 24.4 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | cis | 71.3 | 108.2 | 46.6 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 225 | L | 22.8 | Very low | 24.2 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | 71.2 | 151.9 | 171.5 | -57.2 | 172.1 | 0 | 0 | 0 | 114.8 | ||||
| 226 | L | 23.6 | Very low | 24.5 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | cis | -149.6 | 172.2 | -2.7 | -125.7 | 166.2 | 0 | 0 | 0 | 112.5 | ||||
| 227 | K | 24.3 | Very low | 24.4 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | trans | -47.1 | 135.7 | 167.8 | -56.6 | 156.7 | -174.2 | 174.2 | 0 | 111.7 | T229 | K227-T229 HydrophobicContact CB-CG2 4.09Š| ||
| 228 | G | 24.2 | Very low | 24.5 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -129 | 80.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 229 | T | 23.2 | Very low | 24.4 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 56% | 0.558 | 76% | 0.757 | S | S | * | * | 52.3 | 134.6 | 83.5 | 71.3 | 0 | 0 | 0 | 0 | 113.8 | K227 | K227-T229 HydrophobicContact CB-CG2 4.09Š| |||
| 230 | N | 21.7 | Very low | 24.2 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | cis | -167.7 | 129.2 | -7.3 | -99.1 | -17.9 | 0 | 0 | 0 | 105.9 | ||||
| 231 | A | 26.3 | Very low | 24.1 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | -156.6 | 90.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 232 | T | 24.6 | Very low | 24.2 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | 56 | 100.2 | 97.6 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 233 | R | 21.2 | Very low | 24.2 | Very low | 239 Ų | 239 | 136.8 Ų | 136.8 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | 58.7 | 73.5 | 88.7 | -77.9 | -168.6 | 172 | -175.3 | 0 | 114.2 | |||||
| 234 | F | 23.7 | Very low | 24.3 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -156.1 | 147 | 142.9 | -79.2 | -76.1 | 0 | 0 | 0 | 106.1 | ||||
| 235 | S | 22.1 | Very low | 24.9 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | cis | -171.1 | 154.5 | -25.4 | 45.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 236 | R | 33.2 | Very low | 25.1 | Very low | 243 Ų | 243 | 141.2 Ų | 141.2 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -77.5 | 135 | 143.3 | -80.8 | -178.9 | 170.2 | -175.5 | -3.6 | 104.9 | ||||
| 237 | P | 27.4 | Very low | 25.1 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | -141.2 | -137.2 | 69.6 | 30.4 | -5.1 | 0 | 0 | 0 | 112.5 | |||||
| 238 | P | 28 | Very low | 25 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | -124.6 | -177.8 | -85 | 37.9 | -23.4 | 0 | 0 | 0 | 115.7 | |||||
| 239 | F | 24.4 | Very low | 25.2 | Very low | 191 Ų | 191 | 144 Ų | 144 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -22.6 | 142 | 160.1 | -66.1 | -100.9 | 0 | 0 | 0 | 118.3 | ||||
| 240 | L | 22.9 | Very low | 25.2 | Very low | 164 Ų | 164 | 147 Ų | 147 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | -162.3 | 173.4 | 113.1 | -110.5 | 148.1 | 0 | 0 | 0 | 112.1 | |||||
| 241 | D | 22.7 | Very low | 25.4 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | trans | -86.3 | 176.7 | -154.2 | -68 | -68.7 | 0 | 0 | 0 | 118.1 | ||||
| 242 | T | 23.6 | Very low | 25.4 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | 101.4 | 142.2 | 153.3 | 73.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 243 | G | 24 | Very low | 25.4 | Very low | 78 Ų | 78 | 151.4 Ų | 151.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 118.5 | 62.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 244 | H | 23.5 | Very low | 25.6 | Very low | 186 Ų | 186 | 147.6 Ų | 147.6 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -80.8 | 160.8 | 140.5 | -91.8 | -57.3 | 0 | 0 | 0 | 108.6 | ||||
| 245 | P | 36.4 | Very low | 25.8 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | cis | -118.5 | -175.9 | -25.3 | 22.2 | 1.4 | 0 | 0 | 0 | 110.6 | ||||
| 246 | I | 25.4 | Very low | 26.1 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | 173.6 | 155.2 | 92.3 | -86.9 | 169.8 | 0 | 0 | 0 | 110 | |||||
| 247 | K | 23.9 | Very low | 26.2 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -15.6 | 149.2 | 157.3 | -55.5 | 168.9 | -174.1 | 175.1 | 0 | 116.8 | ||||
| 248 | S | 23.5 | Very low | 26.7 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | 179.8 | 146.9 | -3.2 | 45.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 249 | T | 27.1 | Very low | 27.4 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | trans | -156.6 | 149.3 | 145.9 | -25 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 250 | I | 24.2 | Very low | 28.8 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | -105.3 | 125 | -172.8 | -64.2 | 167 | 0 | 0 | 0 | 110 | ||||
| 251 | A | 25.5 | Very low | 30.8 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 79% | 0.793 | 71% | 0.713 | S | S | * | * | trans | -152.2 | 58.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R253 | A251-R253 PolarHBondContact O-N 3.37Š| ||
| 252 | T | 25.6 | Very low | 32.9 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | trans | -69 | 91.8 | 176.5 | 46.8 | 0 | 0 | 0 | 0 | 111.2 | N254 | T252-N254 PolarHBondContact O-N 2.94Š| ||
| 253 | R | 25 | Very low | 35.1 | Very low | 241 Ų | 241 | 116 Ų | 116 | 91% | 0.909 | 66% | 0.661 | S | S | * | * | trans | -63.6 | 103 | 167.9 | -90.3 | -174.2 | 167.8 | 179.3 | -3.2 | 109.8 | A251 S255 | A251-R253 PolarHBondContact O-N 3.37Å; R253-S255 PolarHBondContact O-N 3.36Å | ||
| 254 | N | 25.4 | Very low | 37.3 | Very low | 158 Ų | 158 | 113 Ų | 113 | 85% | 0.845 | 63% | 0.631 | S | S | * | * | trans | -63.2 | 101.9 | 172.5 | -77.1 | -25 | 0 | 0 | 0 | 110.5 | T252 | T252-N254 PolarHBondContact O-N 2.94Š| ||
| 255 | S | 27.3 | Very low | 40 | Very low | 99 Ų | 99 | 104.3 Ų | 104.3 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 118.4 | 163 | 46.3 | 0 | 0 | 0 | 0 | 110 | R70 R253 | R70-S255 PolarHBondContact NH2-O 3.11Å; R253-S255 PolarHBondContact O-N 3.36Å |
| 256 | S | 28.4 | Very low | 42.2 | Very low | 85 Ų | 85 | 99.4 Ų | 99.4 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 149.5 | 159.8 | 38 | 0 | 0 | 0 | 0 | 109.4 | ||
| 257 | P | 35.1 | Very low | 44.8 | Very low | 56 Ų | 56 | 95 Ų | 95 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 150.8 | 170 | 33.2 | -32.1 | 0 | 0 | 0 | 108.2 | F259 | P257-F259 PolarHBondContact O-N 3.35Š|
| 258 | P | 38.6 | Very low | 47.7 | Very low | 99 Ų | 99 | 87.5 Ų | 87.5 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 117.3 | 172.4 | 26.3 | -33 | 0 | 0 | 0 | 108.5 | L260 | P258-L260 PolarHBondContact O-N 3.1Š|
| 259 | F | 43.2 | Very low | 50.7 | Low | 152 Ų | 152 | 82.5 Ų | 82.5 | 67% | 0.667 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 133.4 | 175.1 | -70.8 | -87.5 | 0 | 0 | 0 | 109.1 | P257 S261 | P257-F259 PolarHBondContact O-N 3.35Å; F259-S261 PolarHBondContact O-N 3.28Å |
| 260 | L | 53.6 | Low | 53.5 | Low | 69 Ų | 69 | 76.5 Ų | 76.5 | 36% | 0.361 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 129.5 | 174.5 | -134.5 | 79.8 | 0 | 0 | 0 | 108.7 | C121 P258 I268 | C121-L260 HydrophobicContact CB-CD2 3.83Å; C121-L260 VanDerWaalsContact SG-CD2 3.56Å; P258-L260 PolarHBondContact O-N 3.1Å; L260-I268 HydrophobicContact CD2-CD1 4.33Å |
| 261 | S | 63.9 | Low | 56.4 | Low | 70 Ų | 70 | 74 Ų | 74 | 49% | 0.49 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 151.3 | 178.5 | 64 | 0 | 0 | 0 | 0 | 110.8 | F259 F263 G264 E265 | F259-S261 PolarHBondContact O-N 3.28Å; S261-F263 PolarHBondContact O-N 3.49Å; S261-F263 VanDerWaalsContact O-N 3.15Å; S261-G264 WeakPolarHBondContact O-CA 3.44Å; S261-G264 PolarHBondContact O-N 2.86Å; S261-G264 PolarHBondContact OG-N 2.85Å; S261-E265 PolarHBondContact O-N 3.48Å |
| 262 | S | 67.4 | Low | 59.4 | Low | 41 Ų | 41 | 69.4 Ų | 69.4 | 29% | 0.287 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.5 | -30 | 177.6 | 65 | 0 | 0 | 0 | 0 | 112.3 | S156 E265 R266 | S156-S262 WeakPolarHBondContact O-CB 3.44Å; S262-E265 PolarHBondContact O-N 2.93Å; S262-R266 VanDerWaalsContact C-NH1 3.28Å; S262-R266 WeakPolarHBondContact O-CG 3.47Å; S262-R266 PolarHBondContact O-N 3.45Å; S262-R266 VanDerWaalsContact O-N 3.11Å; S262-R266 PolarHBondContact O-NH1 3.32Å; S262-R266 PolarHBondContact OG-NH1 3.22Å |
| 263 | F | 69.3 | Low | 62.3 | Low | 47 Ų | 47 | 64.1 Ų | 64.1 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 170.8 | -177.8 | -101.9 | 0 | 0 | 0 | 113.5 | S261 E265 R266 Q267 E357 T360 T361 | S261-F263 PolarHBondContact O-N 3.49Å; S261-F263 VanDerWaalsContact O-N 3.15Å; F263-E265 VanDerWaalsContact C-N 3.31Å; F263-E265 PolarHBondContact O-N 3.09Å; F263-R266 PolarHBondContact O-N 2.82Å; F263-Q267 HydrophobicContact CE1-CG 4.25Å; F263-Q267 HydrophobicContact CZ-CG 4.39Å; F263-Q267 VanDerWaalsContact CZ-NE2 3.27Å; F263-Q267 PolarHBondContact O-N 2.8Å; F263-Q267 VanDerWaalsContact O-N 3.08Å; F263-E357 HydrophobicContact CD2-CB 4.24Å; F263-E357 HydrophobicContact CD2-CG 4.5Å; F263-T360 WeakPolarHBondContact CE2-OG1 3.27Å; F263-T361 HydrophobicContact CD2-CG2 4.03Å; F263-T361 HydrophobicContact CE2-CG2 3.88Å |
| 264 | G | 71.8 | Confident | 65.3 | Low | 16 Ų | 16 | 55.9 Ų | 55.9 | 17% | 0.165 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S261 I268 | S261-G264 WeakPolarHBondContact O-CA 3.44Å; S261-G264 PolarHBondContact O-N 2.86Å; S261-G264 PolarHBondContact OG-N 2.85Å; G264-I268 WeakPolarHBondContact O-CG1 3.37Å; G264-I268 PolarHBondContact O-N 3.11Å |
| 265 | E | 79.4 | Confident | 68.2 | Low | 3 Ų | 3 | 51.5 Ų | 51.5 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.5 | -47.6 | 172.3 | -174.4 | 166 | -134.5 | 0 | 0 | 111.6 | R120 C121 S261 S262 F263 Q267 I268 V269 | R120-E265 WeakPolarHBondContact CB-OE1 3.42Å; R120-E265 IonicContact CZ-OE1 2.59Å; R120-E265 IonicContact CZ-OE2 3.81Å; R120-E265 IonicContact NE-OE1 2.76Å; R120-E265 PolarHBondContact NE-OE1 3.17Å; R120-E265 IonicContact NE-OE2 3.88Å; R120-E265 VanDerWaalsContact NH2-CD 3.3Å; R120-E265 IonicContact NH2-OE1 2.81Å; R120-E265 PolarHBondContact NH2-OE1 3.23Å; R120-E265 VanDerWaalsContact NH2-OE1 3.09Å; R120-E265 IonicContact NH2-OE2 3.55Å; R120-E265 PolarHBondContact NH2-OE2 3.09Å; C121-E265 VanDerWaalsContact SG-CB 3.59Å; S261-E265 PolarHBondContact O-N 3.48Å; S262-E265 PolarHBondContact O-N 2.93Å; F263-E265 VanDerWaalsContact C-N 3.31Å; F263-E265 PolarHBondContact O-N 3.09Å; E265-Q267 VanDerWaalsContact C-N 3.29Å; E265-Q267 PolarHBondContact O-N 3.3Å; E265-I268 PolarHBondContact O-N 3.39Å; E265-V269 HydrophobicContact CG-CG2 4.37Å; E265-V269 WeakPolarHBondContact O-CG2 3.5Å; E265-V269 PolarHBondContact O-N 3.47Å |
| 266 | R | 82.5 | Confident | 71 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52 | -46.1 | 175.6 | -72 | -170.5 | -60.8 | -87.1 | 9.8 | 112.2 | S156 Y157 S262 F263 I268 V269 L270 T361 | S156-R266 PolarHBondContact O-NH1 3.31Å; S156-R266 WeakPolarHBondContact OG-CG 3.47Å; Y157-R266 HydrophobicContact CD2-CG 4.39Å; Y157-R266 HydrophobicContact CE2-CG 4.14Å; S262-R266 VanDerWaalsContact C-NH1 3.28Å; S262-R266 WeakPolarHBondContact O-CG 3.47Å; S262-R266 PolarHBondContact O-N 3.45Å; S262-R266 VanDerWaalsContact O-N 3.11Å; S262-R266 PolarHBondContact O-NH1 3.32Å; S262-R266 PolarHBondContact OG-NH1 3.22Å; F263-R266 PolarHBondContact O-N 2.82Å; R266-I268 PolarHBondContact O-N 2.03Å; R266-V269 PolarHBondContact O-N 3.03Å; R266-L270 WeakPolarHBondContact O-CB 3.43Å; R266-L270 VanDerWaalsContact O-CG 3.29Å; R266-L270 WeakPolarHBondContact O-CG 3.44Å; R266-L270 PolarHBondContact O-N 3.32Å; R266-T361 HydrophobicContact CB-CG2 4.15Å |
| 267 | Q | 80.7 | Confident | 73.6 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.5 | -37.4 | 178.1 | -71.5 | -164.5 | -9 | 0 | 0 | 113.6 | F263 E265 R271 | F263-Q267 HydrophobicContact CE1-CG 4.25Å; F263-Q267 HydrophobicContact CZ-CG 4.39Å; F263-Q267 VanDerWaalsContact CZ-NE2 3.27Å; F263-Q267 PolarHBondContact O-N 2.8Å; F263-Q267 VanDerWaalsContact O-N 3.08Å; E265-Q267 VanDerWaalsContact C-N 3.29Å; E265-Q267 PolarHBondContact O-N 3.3Å; Q267-R271 VanDerWaalsContact O-CB 3.31Å; Q267-R271 WeakPolarHBondContact O-CB 3.34Å; Q267-R271 WeakPolarHBondContact O-CD 3.47Å; Q267-R271 WeakPolarHBondContact O-CG 3.44Å; Q267-R271 PolarHBondContact O-N 2.77Å |
| 268 | I | 83.4 | Confident | 75.8 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.6 | -43 | 179.1 | -68.2 | 168.1 | 0 | 0 | 0 | 110.5 | C121 L124 L260 G264 E265 R266 R271 L272 | C121-I268 HydrophobicContact CB-CD1 3.8Å; L124-I268 HydrophobicContact CB-CG2 3.66Å; L124-I268 HydrophobicContact CD1-CG2 4.32Å; L260-I268 HydrophobicContact CD2-CD1 4.33Å; G264-I268 WeakPolarHBondContact O-CG1 3.37Å; G264-I268 PolarHBondContact O-N 3.11Å; E265-I268 PolarHBondContact O-N 3.39Å; R266-I268 PolarHBondContact O-N 2.03Å; I268-R271 PolarHBondContact O-N 3.15Å; I268-L272 PolarHBondContact O-N 2.89Å |
| 269 | V | 87.2 | Confident | 78 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -50.7 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 111 | L124 I149 C152 M153 E265 R266 R271 L272 I273 | L124-V269 HydrophobicContact CD1-CG2 3.48Å; L124-V269 VanDerWaalsContact CD1-CG2 3.48Å; L124-V269 HydrophobicContact CD2-CG2 4.45Å; I149-V269 HydrophobicContact CG2-CG1 4.37Å; C152-V269 HydrophobicContact CB-CG2 3.97Å; M153-V269 HydrophobicContact CB-CG1 3.79Å; M153-V269 HydrophobicContact CG-CG1 4.04Å; M153-V269 HydrophobicContact SD-CG1 4.34Å; E265-V269 HydrophobicContact CG-CG2 4.37Å; E265-V269 WeakPolarHBondContact O-CG2 3.5Å; E265-V269 PolarHBondContact O-N 3.47Å; R266-V269 PolarHBondContact O-N 3.03Å; V269-R271 VanDerWaalsContact C-N 3.32Å; V269-R271 PolarHBondContact O-N 3.36Å; V269-L272 PolarHBondContact O-N 2.96Å; V269-L272 VanDerWaalsContact O-N 3.1Å; V269-I273 HydrophobicContact CG1-CD1 3.69Å; V269-I273 HydrophobicContact CG1-CG1 4.37Å; V269-I273 WeakPolarHBondContact O-CG1 3.47Å; V269-I273 PolarHBondContact O-N 2.86Å |
| 270 | L | 86.2 | Confident | 79.7 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 9% | 0.094 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -39.1 | 179.6 | -72.5 | 168 | 0 | 0 | 0 | 112.3 | M153 R266 L272 I273 Y274 I368 | M153-L270 HydrophobicContact CE-CD2 3.7Å; M153-L270 HydrophobicContact CE-CG 4.48Å; R266-L270 WeakPolarHBondContact O-CB 3.43Å; R266-L270 VanDerWaalsContact O-CG 3.29Å; R266-L270 WeakPolarHBondContact O-CG 3.44Å; R266-L270 PolarHBondContact O-N 3.32Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.18Å; L270-I273 PolarHBondContact O-N 3.31Å; L270-Y274 VanDerWaalsContact O-CB 3.32Å; L270-Y274 WeakPolarHBondContact O-CB 3.27Å; L270-Y274 PolarHBondContact O-N 2.91Å; L270-I368 HydrophobicContact CB-CD1 4.32Å; L270-I368 HydrophobicContact CD2-CD1 3.79Å |
| 271 | R | 85.3 | Confident | 80.7 | Confident | 101 Ų | 101 | 36.2 Ų | 36.2 | 38% | 0.381 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67 | -30.7 | 175.4 | -75.7 | 171.6 | 175.9 | -168.4 | -1.9 | 113.1 | Q267 I268 V269 Y275 | Q267-R271 VanDerWaalsContact O-CB 3.31Å; Q267-R271 WeakPolarHBondContact O-CB 3.34Å; Q267-R271 WeakPolarHBondContact O-CD 3.47Å; Q267-R271 WeakPolarHBondContact O-CG 3.44Å; Q267-R271 PolarHBondContact O-N 2.77Å; I268-R271 PolarHBondContact O-N 3.15Å; V269-R271 VanDerWaalsContact C-N 3.32Å; V269-R271 PolarHBondContact O-N 3.36Å; R271-Y275 WeakPolarHBondContact O-CB 3.34Å; R271-Y275 PolarHBondContact O-N 3.15Å |
| 272 | L | 87.5 | Confident | 81.1 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.7 | -46.3 | 173 | 177.4 | 62.5 | 0 | 0 | 0 | 111.3 | L124 L127 R128 I149 I268 V269 L270 Y275 I276 | L124-L272 HydrophobicContact CB-CD2 4.44Å; L124-L272 HydrophobicContact CD2-CD2 3.71Å; L127-L272 HydrophobicContact CB-CD1 4.09Å; L127-L272 HydrophobicContact CB-CD2 4.02Å; L127-L272 HydrophobicContact CD1-CD2 4.01Å; R128-L272 HydrophobicContact CB-CD1 3.94Å; R128-L272 HydrophobicContact CG-CD1 4.28Å; I149-L272 HydrophobicContact CD1-CD2 3.92Å; I149-L272 HydrophobicContact CG1-CD2 4.12Å; I268-L272 PolarHBondContact O-N 2.89Å; V269-L272 PolarHBondContact O-N 2.96Å; V269-L272 VanDerWaalsContact O-N 3.1Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.18Å; L272-Y275 PolarHBondContact O-N 3.12Å; L272-I276 HydrophobicContact CD1-CD1 3.98Å; L272-I276 HydrophobicContact CD1-CG1 4.31Å; L272-I276 HydrophobicContact CG-CD1 3.95Å; L272-I276 WeakPolarHBondContact O-CG1 3.47Å; L272-I276 PolarHBondContact O-N 3.43Å |
| 273 | I | 87.2 | Confident | 81.6 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -50.3 | 178.3 | -67.3 | 168.4 | 0 | 0 | 0 | 110.4 | I149 M153 V269 L270 Y275 I276 T277 I288 V292 I368 | I149-I273 HydrophobicContact CG2-CD1 4.28Å; I149-I273 HydrophobicContact CG2-CG1 3.99Å; M153-I273 HydrophobicContact SD-CD1 3.73Å; V269-I273 HydrophobicContact CG1-CD1 3.69Å; V269-I273 HydrophobicContact CG1-CG1 4.37Å; V269-I273 WeakPolarHBondContact O-CG1 3.47Å; V269-I273 PolarHBondContact O-N 2.86Å; L270-I273 PolarHBondContact O-N 3.31Å; I273-Y275 VanDerWaalsContact C-N 3.28Å; I273-Y275 PolarHBondContact O-N 3.14Å; I273-I276 PolarHBondContact O-N 3.12Å; I273-T277 WeakPolarHBondContact O-CB 3.28Å; I273-T277 PolarHBondContact O-N 3.12Å; I273-T277 PolarHBondContact O-OG1 3.12Å; I273-T277 VanDerWaalsContact O-OG1 3.07Å; I273-I288 HydrophobicContact CD1-CG2 4.06Å; I273-I288 HydrophobicContact CG1-CG2 4.03Å; I273-I288 HydrophobicContact CG2-CG2 3.7Å; I273-V292 HydrophobicContact CD1-CG2 3.96Å; I273-V292 HydrophobicContact CG2-CG2 4.17Å; I273-I368 HydrophobicContact CG2-CG2 4.07Å |
| 274 | Y | 87.5 | Confident | 82.1 | Confident | 68 Ų | 68 | 34.8 Ų | 34.8 | 27% | 0.267 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -55.4 | -41.9 | 176.5 | 172 | -107.4 | 0 | 0 | 0 | 112.8 | L270 T277 R278 I368 | L270-Y274 VanDerWaalsContact O-CB 3.32Å; L270-Y274 WeakPolarHBondContact O-CB 3.27Å; L270-Y274 PolarHBondContact O-N 2.91Å; Y274-T277 PolarHBondContact O-N 2.96Å; Y274-R278 PolarHBondContact O-N 3.15Å; Y274-R278 PolarHBondContact OH-NH1 2.93Å; Y274-I368 HydrophobicContact CD2-CG1 4.4Å |
| 275 | Y | 86.6 | Confident | 82.3 | Confident | 66 Ų | 66 | 35.1 Ų | 35.1 | 26% | 0.259 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.3 | -43.7 | 177.6 | -178.2 | -116.2 | 0 | 0 | 0 | 112.4 | R128 V131 R271 L272 I273 R278 L279 | R128-Y275 HydrophobicContact CG-CD1 3.9Å; R128-Y275 HydrophobicContact CG-CE1 4.41Å; R128-Y275 HydrophobicContact CG-CG 4.28Å; R128-Y275 WeakPolarHBondContact O-CE1 3.44Å; V131-Y275 HydrophobicContact CB-CE1 4.48Å; V131-Y275 WeakPolarHBondContact O-CE1 3.39Å; V131-Y275 PolarHBondContact O-OH 2.8Å; R271-Y275 WeakPolarHBondContact O-CB 3.34Å; R271-Y275 PolarHBondContact O-N 3.15Å; L272-Y275 PolarHBondContact O-N 3.12Å; I273-Y275 VanDerWaalsContact C-N 3.28Å; I273-Y275 PolarHBondContact O-N 3.14Å; Y275-R278 PolarHBondContact O-N 3.26Å; Y275-L279 HydrophobicContact CD1-CD1 4.07Å; Y275-L279 HydrophobicContact CE1-CD1 3.56Å; Y275-L279 HydrophobicContact CE1-CG 4.42Å; Y275-L279 HydrophobicContact CE2-CD1 4.17Å; Y275-L279 HydrophobicContact CE2-CD2 4.49Å; Y275-L279 HydrophobicContact CE2-CG 4.23Å; Y275-L279 WeakPolarHBondContact O-CG 3.48Å; Y275-L279 PolarHBondContact O-N 3.02Å |
| 276 | I | 86.1 | Confident | 81.9 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.1 | -66.4 | 167.4 | 0 | 0 | 0 | 110.8 | V137 L140 I149 L272 I273 R278 L279 A280 | V137-I276 HydrophobicContact CG1-CG2 4.13Å; V137-I276 HydrophobicContact CG2-CG2 4.46Å; L140-I276 HydrophobicContact CD1-CD1 4.34Å; I149-I276 HydrophobicContact CD1-CD1 4.27Å; L272-I276 HydrophobicContact CD1-CD1 3.98Å; L272-I276 HydrophobicContact CD1-CG1 4.31Å; L272-I276 HydrophobicContact CG-CD1 3.95Å; L272-I276 WeakPolarHBondContact O-CG1 3.47Å; L272-I276 PolarHBondContact O-N 3.43Å; I273-I276 PolarHBondContact O-N 3.12Å; I276-R278 VanDerWaalsContact C-N 3.26Å; I276-R278 PolarHBondContact O-N 3.09Å; I276-L279 PolarHBondContact O-N 2.7Å; I276-A280 PolarHBondContact O-N 3.22Å |
| 277 | T | 83.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.8 | -39.5 | 176.9 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | I273 Y274 P281 I284 L372 L375 | I273-T277 WeakPolarHBondContact O-CB 3.28Å; I273-T277 PolarHBondContact O-N 3.12Å; I273-T277 PolarHBondContact O-OG1 3.12Å; I273-T277 VanDerWaalsContact O-OG1 3.07Å; Y274-T277 PolarHBondContact O-N 2.96Å; T277-P281 WeakPolarHBondContact O-CA 3.44Å; T277-P281 WeakPolarHBondContact O-CB 3.29Å; T277-P281 VanDerWaalsContact O-CD 3.3Å; T277-P281 WeakPolarHBondContact O-CD 3.25Å; T277-I284 HydrophobicContact CG2-CD1 3.86Å; T277-L372 HydrophobicContact CG2-CB 4.21Å; T277-L375 HydrophobicContact CG2-CD1 4.43Å |
| 278 | R | 82.4 | Confident | 81.5 | Confident | 142 Ų | 142 | 35.1 Ų | 35.1 | 54% | 0.536 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -81.5 | -28.8 | -180 | -173.8 | 166.6 | 171.3 | 154.9 | -2.3 | 113.9 | Y274 Y275 I276 | Y274-R278 PolarHBondContact O-N 3.15Å; Y274-R278 PolarHBondContact OH-NH1 2.93Å; Y275-R278 PolarHBondContact O-N 3.26Å; I276-R278 VanDerWaalsContact C-N 3.26Å; I276-R278 PolarHBondContact O-N 3.09Å |
| 279 | L | 83.2 | Confident | 81.2 | Confident | 55 Ų | 55 | 34 Ų | 34 | 29% | 0.288 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -74.8 | -43.6 | 174.9 | -77.2 | -177.8 | 0 | 0 | 0 | 112.9 | V131 Y275 I276 | V131-L279 HydrophobicContact CG1-CD1 3.68Å; Y275-L279 HydrophobicContact CD1-CD1 4.07Å; Y275-L279 HydrophobicContact CE1-CD1 3.56Å; Y275-L279 HydrophobicContact CE1-CG 4.42Å; Y275-L279 HydrophobicContact CE2-CD1 4.17Å; Y275-L279 HydrophobicContact CE2-CD2 4.49Å; Y275-L279 HydrophobicContact CE2-CG 4.23Å; Y275-L279 WeakPolarHBondContact O-CG 3.48Å; Y275-L279 PolarHBondContact O-N 3.02Å; I276-L279 PolarHBondContact O-N 2.7Å |
| 280 | A | 80.2 | Confident | 80.5 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | trans | -146.2 | 67.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V137 I276 Q282 L283 | V137-A280 HydrophobicContact CB-CB 4.14Å; V137-A280 HydrophobicContact CG1-CB 4.17Å; V137-A280 HydrophobicContact CG2-CB 4.05Å; I276-A280 PolarHBondContact O-N 3.22Å; A280-Q282 PolarHBondContact O-N 2.98Å; A280-L283 HydrophobicContact CB-CB 4.15Å; A280-L283 HydrophobicContact CB-CD1 3.81Å; A280-L283 HydrophobicContact CB-CG 4.08Å; A280-L283 PolarHBondContact O-N 3.21Å | ||
| 281 | P | 74 | Confident | 80 | Confident | 27 Ų | 27 | 34.4 Ų | 34.4 | 18% | 0.175 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -58.3 | -28 | -175.7 | 21.4 | -32.3 | 0 | 0 | 0 | 113.6 | T277 L283 I284 L375 A376 | T277-P281 WeakPolarHBondContact O-CA 3.44Å; T277-P281 WeakPolarHBondContact O-CB 3.29Å; T277-P281 VanDerWaalsContact O-CD 3.3Å; T277-P281 WeakPolarHBondContact O-CD 3.25Å; P281-L283 VanDerWaalsContact C-N 3.31Å; P281-L283 PolarHBondContact O-N 3.44Å; P281-I284 WeakPolarHBondContact O-CG1 3.5Å; P281-L375 HydrophobicContact CB-CB 3.59Å; P281-L375 HydrophobicContact CB-CD1 4.43Å; P281-L375 HydrophobicContact CG-CB 4.02Å; P281-A376 HydrophobicContact CB-CB 4.3Å; P281-A376 WeakPolarHBondContact O-CB 3.47Å |
| 282 | Q | 72.8 | Confident | 79.8 | Confident | 92 Ų | 92 | 29.7 Ų | 29.7 | 43% | 0.43 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -74.5 | -17.4 | -179.6 | -53.4 | 179.4 | 3.7 | 0 | 0 | 113.8 | A280 | A280-Q282 PolarHBondContact O-N 2.98Š|
| 283 | L | 77.9 | Confident | 79.1 | Confident | 19 Ų | 19 | 29.8 Ų | 29.8 | 10% | 0.099 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -98 | -11.8 | -173.4 | -64.6 | -177.5 | 0 | 0 | 0 | 114 | V137 E138 L141 A280 P281 R383 | V137-L283 HydrophobicContact CB-CD1 4.06Å; V137-L283 HydrophobicContact CG1-CB 4.11Å; V137-L283 HydrophobicContact CG1-CD1 3.98Å; E138-L283 HydrophobicContact CG-CD1 3.42Å; E138-L283 VanDerWaalsContact CG-CD1 3.42Å; E138-L283 HydrophobicContact CG-CD2 4.19Å; E138-L283 HydrophobicContact CG-CG 4.47Å; L141-L283 HydrophobicContact CD1-CB 3.94Å; L141-L283 WeakPolarHBondContact CD1-O 3.45Å; A280-L283 HydrophobicContact CB-CB 4.15Å; A280-L283 HydrophobicContact CB-CD1 3.81Å; A280-L283 HydrophobicContact CB-CG 4.08Å; A280-L283 PolarHBondContact O-N 3.21Å; P281-L283 VanDerWaalsContact C-N 3.31Å; P281-L283 PolarHBondContact O-N 3.44Å; L283-R383 PolarHBondContact O-NH1 3.37Å |
| 284 | I | 79.9 | Confident | 78.4 | Confident | 17 Ų | 17 | 30 Ų | 30 | 9% | 0.087 | 15% | 0.146 | C | C | . | . | trans | -57.1 | 128.7 | -170.8 | -52.5 | 171.5 | 0 | 0 | 0 | 111.5 | T277 P281 I289 L372 | T277-I284 HydrophobicContact CG2-CD1 3.86Å; P281-I284 WeakPolarHBondContact O-CG1 3.5Å; I284-I289 HydrophobicContact CG2-CD1 4.26Å; I284-I289 HydrophobicContact CG2-CG1 3.95Å; I284-L372 HydrophobicContact CD1-CD1 3.52Å; I284-L372 HydrophobicContact CD1-CG 3.91Å; I284-L372 HydrophobicContact CG2-CD1 4.21Å | ||
| 285 | P | 75.4 | Confident | 77.6 | Confident | 23 Ų | 23 | 27.2 Ų | 27.2 | 15% | 0.149 | 14% | 0.136 | C | C | . | . | trans | -85.5 | 155.9 | 179 | 33.8 | -35.2 | 0 | 0 | 0 | 113 | L141 D146 S287 I288 I289 | L141-P285 HydrophobicContact CD2-CB 4.26Å; L141-P285 HydrophobicContact CD2-CG 3.68Å; D146-P285 HydrophobicContact CB-CG 3.55Å; P285-S287 WeakPolarHBondContact CB-OG 3.28Å; P285-S287 WeakPolarHBondContact CG-OG 3.48Å; P285-S287 PolarHBondContact O-N 3.11Å; P285-I288 HydrophobicContact CG-CB 4.46Å; P285-I288 HydrophobicContact CG-CD1 4.03Å; P285-I288 HydrophobicContact CG-CG1 4.12Å; P285-I288 PolarHBondContact O-N 2.66Å; P285-I289 PolarHBondContact O-N 3.19Å | ||
| 286 | S | 70.4 | Confident | 76.7 | Confident | 46 Ų | 46 | 24.1 Ų | 24.1 | 32% | 0.322 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.9 | -32.3 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | I288 I289 H290 G2308 | S286-I288 VanDerWaalsContact C-N 3.32Å; S286-I288 PolarHBondContact O-N 3.02Å; S286-I289 PolarHBondContact O-N 3.08Å; S286-H290 WeakPolarHBondContact O-CB 3.34Å; S286-H290 PolarHBondContact O-CD2 3.47Å; S286-H290 PolarHBondContact O-N 3.17Å; S286-G2308 WeakPolarHBondContact CB-O 3.49Å; S286-G2308 PolarHBondContact OG-O 2.87Å |
| 287 | S | 73 | Confident | 75.6 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -49.9 | -48.2 | 175.5 | 55 | 0 | 0 | 0 | 0 | 112.7 | D146 P285 A291 | D146-S287 WeakPolarHBondContact OD2-CB 3.37Å; D146-S287 PolarHBondContact OD2-OG 3.1Å; P285-S287 WeakPolarHBondContact CB-OG 3.28Å; P285-S287 WeakPolarHBondContact CG-OG 3.48Å; P285-S287 PolarHBondContact O-N 3.11Å; S287-A291 WeakPolarHBondContact O-CB 3.27Å; S287-A291 PolarHBondContact O-N 3.36Å; S287-A291 VanDerWaalsContact O-N 3.15Å |
| 288 | I | 81.7 | Confident | 74.4 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.036 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -73.7 | -42.9 | 178.6 | -66.7 | 178.4 | 0 | 0 | 0 | 110.6 | D146 I273 P285 S286 H290 A291 V292 | D146-I288 HydrophobicContact CB-CD1 3.87Å; D146-I288 HydrophobicContact CB-CG1 4.17Å; I273-I288 HydrophobicContact CD1-CG2 4.06Å; I273-I288 HydrophobicContact CG1-CG2 4.03Å; I273-I288 HydrophobicContact CG2-CG2 3.7Å; P285-I288 HydrophobicContact CG-CB 4.46Å; P285-I288 HydrophobicContact CG-CD1 4.03Å; P285-I288 HydrophobicContact CG-CG1 4.12Å; P285-I288 PolarHBondContact O-N 2.66Å; S286-I288 VanDerWaalsContact C-N 3.32Å; S286-I288 PolarHBondContact O-N 3.02Å; I288-H290 VanDerWaalsContact C-N 3.33Å; I288-H290 PolarHBondContact O-N 3.34Å; I288-A291 PolarHBondContact O-N 3.18Å; I288-V292 HydrophobicContact CG2-CG2 4.33Å; I288-V292 WeakPolarHBondContact O-CG2 3.46Å; I288-V292 PolarHBondContact O-N 2.94Å |
| 289 | I | 76.6 | Confident | 73 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 4% | 0.036 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 179.2 | -61.7 | 173.6 | 0 | 0 | 0 | 110.7 | I284 P285 S286 V292 A293 L369 L372 L380 I462 | I284-I289 HydrophobicContact CG2-CD1 4.26Å; I284-I289 HydrophobicContact CG2-CG1 3.95Å; P285-I289 PolarHBondContact O-N 3.19Å; S286-I289 PolarHBondContact O-N 3.08Å; I289-V292 PolarHBondContact O-N 2.89Å; I289-A293 VanDerWaalsContact O-CB 3.25Å; I289-A293 WeakPolarHBondContact O-CB 3.34Å; I289-A293 PolarHBondContact O-N 3.46Å; I289-L369 HydrophobicContact CG2-CD2 4.4Å; I289-L372 HydrophobicContact CD1-CD1 4.31Å; I289-L372 HydrophobicContact CG1-CD1 4.01Å; I289-L380 HydrophobicContact CD1-CD2 4.28Å; I289-I462 HydrophobicContact CG2-CD1 4.12Å; I289-I462 HydrophobicContact CG2-CG1 4.16Å |
| 290 | H | 73.2 | Confident | 71.3 | Confident | 26 Ų | 26 | 24.5 Ų | 24.5 | 12% | 0.12 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.6 | -37.2 | 176.4 | -70.5 | -54.7 | 0 | 0 | 0 | 112.9 | S286 I288 A293 A294 | S286-H290 WeakPolarHBondContact O-CB 3.34Å; S286-H290 PolarHBondContact O-CD2 3.47Å; S286-H290 PolarHBondContact O-N 3.17Å; I288-H290 VanDerWaalsContact C-N 3.33Å; I288-H290 PolarHBondContact O-N 3.34Å; H290-A293 PolarHBondContact O-N 3.38Å; H290-A294 WeakPolarHBondContact O-CB 3.45Å; H290-A294 PolarHBondContact O-N 2.91Å |
| 291 | A | 76.3 | Confident | 69.4 | Low | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A150 M153 S287 I288 P295 | A150-A291 HydrophobicContact CB-CB 3.93Å; M153-A291 HydrophobicContact CB-CB 4.45Å; M153-A291 HydrophobicContact SD-CB 4.16Å; S287-A291 WeakPolarHBondContact O-CB 3.27Å; S287-A291 PolarHBondContact O-N 3.36Å; S287-A291 VanDerWaalsContact O-N 3.15Å; I288-A291 PolarHBondContact O-N 3.18Å; A291-P295 WeakPolarHBondContact O-CD 3.42Å |
| 292 | V | 80 | Confident | 67.9 | Low | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -74.4 | -35.3 | 175.3 | -180 | 0 | 0 | 0 | 0 | 111.9 | M153 I273 I288 I289 C365 L369 | M153-V292 HydrophobicContact CE-CB 4.33Å; M153-V292 HydrophobicContact CE-CG2 4Å; M153-V292 HydrophobicContact SD-CG2 3.82Å; I273-V292 HydrophobicContact CD1-CG2 3.96Å; I273-V292 HydrophobicContact CG2-CG2 4.17Å; I288-V292 HydrophobicContact CG2-CG2 4.33Å; I288-V292 WeakPolarHBondContact O-CG2 3.46Å; I288-V292 PolarHBondContact O-N 2.94Å; I289-V292 PolarHBondContact O-N 2.89Å; V292-C365 HydrophobicContact CG1-CB 3.72Å; V292-L369 HydrophobicContact CG1-CD1 4.21Å; V292-L369 HydrophobicContact CG1-CD2 4.24Å; V292-L369 HydrophobicContact CG1-CG 3.88Å |
| 293 | A | 74.2 | Confident | 66.2 | Low | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.7 | -35.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | I289 H290 C296 L297 L369 I465 | I289-A293 VanDerWaalsContact O-CB 3.25Å; I289-A293 WeakPolarHBondContact O-CB 3.34Å; I289-A293 PolarHBondContact O-N 3.46Å; H290-A293 PolarHBondContact O-N 3.38Å; A293-C296 WeakPolarHBondContact O-CB 3.46Å; A293-C296 PolarHBondContact O-N 3.16Å; A293-L297 PolarHBondContact O-N 3.49Å; A293-L369 HydrophobicContact CB-CD1 4.41Å; A293-I465 HydrophobicContact CB-CD1 3.98Å; A293-I465 HydrophobicContact CB-CG2 4.07Å |
| 294 | A | 72 | Confident | 64.2 | Low | 9 Ų | 9 | 37.4 Ų | 37.4 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H290 C296 L297 E298 R2314 | H290-A294 WeakPolarHBondContact O-CB 3.45Å; H290-A294 PolarHBondContact O-N 2.91Å; A294-C296 VanDerWaalsContact C-N 3.27Å; A294-C296 PolarHBondContact O-N 3.42Å; A294-L297 PolarHBondContact O-N 3.39Å; A294-L297 VanDerWaalsContact O-N 3.15Å; A294-E298 PolarHBondContact O-N 3.43Å; A294-E298 VanDerWaalsContact O-N 3.13Å; A294-R2314 HydrophobicContact CB-CB 3.97Å; A294-R2314 HydrophobicContact CB-CG 4.36Å |
| 295 | P | 70.1 | Confident | 61.8 | Low | 9 Ų | 9 | 39.2 Ų | 39.2 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.4 | -36.2 | 170.8 | -27.3 | 35.2 | 0 | 0 | 0 | 114.4 | Y157 A291 L297 | Y157-P295 HydrophobicContact CE2-CG 4.44Å; A291-P295 WeakPolarHBondContact O-CD 3.42Å; P295-L297 VanDerWaalsContact C-N 3.3Å; P295-L297 PolarHBondContact O-N 3.01Å |
| 296 | C | 67.6 | Low | 59.8 | Low | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.4 | -22.5 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 113 | A293 A294 L366 A469 | A293-C296 WeakPolarHBondContact O-CB 3.46Å; A293-C296 PolarHBondContact O-N 3.16Å; A294-C296 VanDerWaalsContact C-N 3.27Å; A294-C296 PolarHBondContact O-N 3.42Å; C296-L366 HydrophobicContact CB-CD2 4.5Å; C296-A469 HydrophobicContact CB-CB 3.98Å |
| 297 | L | 63.3 | Low | 57.9 | Low | 81 Ų | 81 | 41.9 Ų | 41.9 | 42% | 0.424 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -91.8 | -36.7 | -179.6 | -65.2 | 173.8 | 0 | 0 | 0 | 113.2 | A293 A294 P295 V299 H300 I465 | A293-L297 PolarHBondContact O-N 3.49Å; A294-L297 PolarHBondContact O-N 3.39Å; A294-L297 VanDerWaalsContact O-N 3.15Å; P295-L297 VanDerWaalsContact C-N 3.3Å; P295-L297 PolarHBondContact O-N 3.01Å; L297-V299 VanDerWaalsContact C-N 3.26Å; L297-V299 PolarHBondContact O-N 3.47Å; L297-H300 PolarHBondContact O-N 2.78Å; L297-I465 HydrophobicContact CD1-CG1 4.27Å; L297-I465 HydrophobicContact CD2-CG1 4.29Å; L297-I465 HydrophobicContact CD2-CG2 4.48Å |
| 298 | E | 58.4 | Low | 56 | Low | 26 Ų | 26 | 46.2 Ų | 46.2 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.1 | -21.5 | -171.6 | -149.8 | 86.8 | -121.8 | 0 | 0 | 113.1 | A294 H300 R301 Y302 R2314 | A294-E298 PolarHBondContact O-N 3.43Å; A294-E298 VanDerWaalsContact O-N 3.13Å; E298-H300 PolarHBondContact O-N 3.22Å; E298-R301 WeakPolarHBondContact O-CB 3.45Å; E298-R301 PolarHBondContact O-N 3.4Å; E298-R301 WeakPolarHBondContact OE1-CD 3.24Å; E298-R301 IonicContact OE1-CZ 3.59Å; E298-R301 IonicContact OE1-NE 3.42Å; E298-R301 IonicContact OE1-NH1 3.64Å; E298-R301 PolarHBondContact OE1-NH1 3.12Å; E298-Y302 HydrophobicContact CG-CE2 4.15Å; E298-R2314 WeakPolarHBondContact OE2-CA 3.45Å; E298-R2314 VanDerWaalsContact OE2-CB 3.27Å; E298-R2314 WeakPolarHBondContact OE2-CB 3.45Å; E298-R2314 PolarHBondContact OE2-N 3.08Å |
| 299 | V | 52.7 | Low | 53.7 | Low | 26 Ų | 26 | 51.8 Ų | 51.8 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -52.5 | -39.3 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 112.5 | L297 R301 Y302 I362 | L297-V299 VanDerWaalsContact C-N 3.26Å; L297-V299 PolarHBondContact O-N 3.47Å; V299-R301 PolarHBondContact O-N 3.43Å; V299-Y302 PolarHBondContact O-N 2.97Å; V299-I362 HydrophobicContact CG2-CD1 3.67Å |
| 300 | H | 47.9 | Very low | 51.5 | Low | 82 Ų | 82 | 54.7 Ų | 54.7 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.3 | -28.1 | -179.8 | -168.9 | -31.4 | 0 | 0 | 0 | 112.4 | L297 E298 V304 T472 | L297-H300 PolarHBondContact O-N 2.78Å; E298-H300 PolarHBondContact O-N 3.22Å; H300-V304 WeakPolarHBondContact O-CG2 3.34Å; H300-T472 HydrophobicContact CB-CG2 4.46Å |
| 301 | R | 40.8 | Very low | 49.6 | Very low | 131 Ų | 131 | 57.2 Ų | 57.2 | 49% | 0.494 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -80 | -40.2 | -176.6 | -71.6 | 172.3 | 165.3 | -172.9 | -7.1 | 112.8 | E298 V299 L303 V304 A305 | E298-R301 WeakPolarHBondContact O-CB 3.45Å; E298-R301 PolarHBondContact O-N 3.4Å; E298-R301 WeakPolarHBondContact OE1-CD 3.24Å; E298-R301 IonicContact OE1-CZ 3.59Å; E298-R301 IonicContact OE1-NE 3.42Å; E298-R301 IonicContact OE1-NH1 3.64Å; E298-R301 PolarHBondContact OE1-NH1 3.12Å; V299-R301 PolarHBondContact O-N 3.43Å; R301-L303 VanDerWaalsContact C-N 3.32Å; R301-L303 PolarHBondContact O-N 2.9Å; R301-V304 PolarHBondContact O-N 3.22Å; R301-A305 PolarHBondContact O-N 2.71Å |
| 302 | Y | 41.1 | Very low | 47.6 | Very low | 140 Ų | 140 | 64 Ų | 64 | 55% | 0.549 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | -179.4 | -81.9 | -84.3 | 0 | 0 | 0 | 112.8 | E298 V299 V304 A305 N306 | E298-Y302 HydrophobicContact CG-CE2 4.15Å; V299-Y302 PolarHBondContact O-N 2.97Å; Y302-V304 VanDerWaalsContact C-N 3.33Å; Y302-V304 PolarHBondContact O-N 3Å; Y302-A305 PolarHBondContact O-N 3.03Å; Y302-N306 PolarHBondContact O-N 2.84Å; Y302-N306 VanDerWaalsContact O-N 3.1Å |
| 303 | L | 37.4 | Very low | 45.2 | Very low | 91 Ų | 91 | 70.9 Ų | 70.9 | 48% | 0.476 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -35.9 | 176.4 | -69.5 | 169.5 | 0 | 0 | 0 | 112.9 | R301 S307 | R301-L303 VanDerWaalsContact C-N 3.32Å; R301-L303 PolarHBondContact O-N 2.9Å; L303-S307 PolarHBondContact O-N 3.35Å; L303-S307 PolarHBondContact O-OG 2.81Å |
| 304 | V | 35.3 | Very low | 42.9 | Very low | 53 Ų | 53 | 73.5 Ų | 73.5 | 32% | 0.321 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -75 | -30.1 | 178.2 | 177.3 | 0 | 0 | 0 | 0 | 112 | H300 R301 Y302 S307 N308 | H300-V304 WeakPolarHBondContact O-CG2 3.34Å; R301-V304 PolarHBondContact O-N 3.22Å; Y302-V304 VanDerWaalsContact C-N 3.33Å; Y302-V304 PolarHBondContact O-N 3Å; V304-S307 PolarHBondContact O-OG 3.33Å; V304-S307 VanDerWaalsContact O-OG 3.07Å; V304-N308 PolarHBondContact O-ND2 3.4Å |
| 305 | A | 30.4 | Very low | 40.7 | Very low | 55 Ų | 55 | 80.8 Ų | 80.8 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.8 | -51.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R301 Y302 S307 N308 E309 | R301-A305 PolarHBondContact O-N 2.71Å; Y302-A305 PolarHBondContact O-N 3.03Å; A305-S307 VanDerWaalsContact C-N 3.31Å; A305-S307 PolarHBondContact O-N 3.04Å; A305-N308 PolarHBondContact O-N 3.28Å; A305-N308 VanDerWaalsContact O-N 3.14Å; A305-E309 PolarHBondContact O-N 3.19Å |
| 306 | N | 33.3 | Very low | 38.6 | Very low | 108 Ų | 108 | 84.9 Ų | 84.9 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64 | -33.8 | -175.9 | -73.5 | -1.5 | 0 | 0 | 0 | 112.9 | Y302 N308 E309 S310 | Y302-N306 PolarHBondContact O-N 2.84Å; Y302-N306 VanDerWaalsContact O-N 3.1Å; N306-N308 PolarHBondContact O-N 3.06Å; N306-E309 PolarHBondContact O-N 3.27Å; N306-S310 PolarHBondContact O-N 2.75Å; N306-S310 VanDerWaalsContact O-N 3.17Å; N306-S310 PolarHBondContact O-OG 3.39Å |
| 307 | S | 30.8 | Very low | 36.7 | Very low | 17 Ų | 17 | 93.8 Ų | 93.8 | 12% | 0.119 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -63.5 | -24.5 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | L303 V304 A305 S310 | L303-S307 PolarHBondContact O-N 3.35Å; L303-S307 PolarHBondContact O-OG 2.81Å; V304-S307 PolarHBondContact O-OG 3.33Å; V304-S307 VanDerWaalsContact O-OG 3.07Å; A305-S307 VanDerWaalsContact C-N 3.31Å; A305-S307 PolarHBondContact O-N 3.04Å; S307-S310 PolarHBondContact O-OG 3.13Å; S307-S310 VanDerWaalsContact O-OG 3.04Å |
| 308 | N | 33.9 | Very low | 35 | Very low | 98 Ų | 98 | 94.3 Ų | 94.3 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -89.6 | -20.2 | 179.9 | -61.7 | -8.2 | 0 | 0 | 0 | 112.2 | V304 A305 N306 S311 | V304-N308 PolarHBondContact O-ND2 3.4Å; A305-N308 PolarHBondContact O-N 3.28Å; A305-N308 VanDerWaalsContact O-N 3.14Å; N306-N308 PolarHBondContact O-N 3.06Å; N308-S311 PolarHBondContact O-OG 3.25Å; N308-S311 VanDerWaalsContact O-OG 3.08Å |
| 309 | E | 32.3 | Very low | 33.5 | Very low | 124 Ų | 124 | 97.2 Ų | 97.2 | 58% | 0.579 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -81.5 | -29.7 | 171 | -85.6 | -140.8 | -168.8 | 0 | 0 | 113.1 | A305 N306 N312 K313 | A305-E309 PolarHBondContact O-N 3.19Å; N306-E309 PolarHBondContact O-N 3.27Å; E309-N312 PolarHBondContact O-N 3.05Å; E309-K313 PolarHBondContact O-NZ 2.92Å; E309-K313 IonicContact OE2-NZ 2.68Å; E309-K313 PolarHBondContact OE2-NZ 3.45Å |
| 310 | S | 30.9 | Very low | 32.2 | Very low | 67 Ų | 67 | 101 Ų | 101 | 47% | 0.469 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.7 | -30.8 | 175.7 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | N306 S307 N312 K313 | N306-S310 PolarHBondContact O-N 2.75Å; N306-S310 VanDerWaalsContact O-N 3.17Å; N306-S310 PolarHBondContact O-OG 3.39Å; S307-S310 PolarHBondContact O-OG 3.13Å; S307-S310 VanDerWaalsContact O-OG 3.04Å; S310-N312 PolarHBondContact O-N 3.33Å; S310-K313 PolarHBondContact O-N 3.17Å |
| 311 | S | 32.6 | Very low | 31.1 | Very low | 79 Ų | 79 | 100 Ų | 100 | 55% | 0.552 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -8.2 | 174.4 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | N308 | N308-S311 PolarHBondContact O-OG 3.25Å; N308-S311 VanDerWaalsContact O-OG 3.08Å |
| 312 | N | 33.8 | Very low | 30.4 | Very low | 144 Ų | 144 | 99 Ų | 99 | 77% | 0.77 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 23.3 | 176.1 | -78.1 | -28.4 | 0 | 0 | 0 | 112.4 | E309 S310 | E309-N312 PolarHBondContact O-N 3.05Å; S310-N312 PolarHBondContact O-N 3.33Å |
| 313 | K | 29.5 | Very low | 29.6 | Very low | 145 Ų | 145 | 95.5 Ų | 95.5 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | trans | -131.3 | 41.7 | 169.5 | -62.9 | -169.7 | -168.3 | 76.8 | 0 | 111.9 | E309 S310 | E309-K313 PolarHBondContact O-NZ 2.92Å; E309-K313 IonicContact OE2-NZ 2.68Å; E309-K313 PolarHBondContact OE2-NZ 3.45Å; S310-K313 PolarHBondContact O-N 3.17Å | ||
| 314 | G | 26.5 | Very low | 29.1 | Very low | 58 Ų | 58 | 97.7 Ų | 97.7 | 60% | 0.598 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -83 | 117.4 | 157 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 315 | D | 26.9 | Very low | 28.6 | Very low | 162 Ų | 162 | 100.7 Ų | 100.7 | 87% | 0.866 | 65% | 0.647 | S | S | * | * | trans | 45.4 | 88.4 | 146.8 | -46.6 | -35.6 | 0 | 0 | 0 | 117.9 | ||||
| 316 | A | 25.7 | Very low | 28.3 | Very low | 96 Ų | 96 | 102 Ų | 102 | 79% | 0.793 | 66% | 0.658 | S | S | * | * | trans | -111.4 | 23.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 317 | H | 26.9 | Very low | 27.9 | Very low | 187 Ų | 187 | 103.4 Ų | 103.4 | 87% | 0.866 | 67% | 0.67 | S | S | * | * | trans | -145.6 | 137.2 | 157.3 | -71.6 | -60.7 | 0 | 0 | 0 | 107.2 | ||||
| 318 | A | 27.5 | Very low | 27.6 | Very low | 92 Ų | 92 | 108.8 Ų | 108.8 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | S | Bend | cis | -119.6 | 153.7 | 17.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 319 | A | 28 | Very low | 27.1 | Very low | 86 Ų | 86 | 108.2 Ų | 108.2 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | trans | 6.9 | 125.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 320 | S | 25.5 | Very low | 26.6 | Very low | 105 Ų | 105 | 112.2 Ų | 112.2 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | 23.2 | 115.9 | 123 | -167.9 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 321 | G | 24.3 | Very low | 26.5 | Very low | 63 Ų | 63 | 117.3 Ų | 117.3 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | cis | 114.6 | 122 | 7.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 322 | V | 25.1 | Very low | 26 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 66% | 0.655 | 74% | 0.739 | S | S | * | * | trans | -148.3 | 151.1 | 158 | -173 | 0 | 0 | 0 | 0 | 107.8 | H2119 | V322-H2119 WeakPolarHBondContact CG1-NE2 3.42Š| ||
| 323 | G | 25.2 | Very low | 25.7 | Very low | 68 Ų | 68 | 119.4 Ų | 119.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | 98.3 | 56.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 324 | V | 26 | Very low | 25.3 | Very low | 137 Ų | 137 | 123 Ų | 123 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | -103.7 | 131.2 | 160 | 173.7 | 0 | 0 | 0 | 0 | 109.6 | A326 | V324-A326 HydrophobicContact CG1-CB 4.45Š| ||
| 325 | P | 25.7 | Very low | 25.2 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -127.6 | 98.1 | 143 | 33.8 | -22.1 | 0 | 0 | 0 | 111 | V327 | P325-V327 PolarHBondContact O-N 2.67Š| ||
| 326 | A | 23.2 | Very low | 25.2 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | -71.2 | 108.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | V324 | V324-A326 HydrophobicContact CG1-CB 4.45Š| ||
| 327 | V | 25 | Very low | 25.2 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -73.2 | 119 | 151.1 | -179.5 | 0 | 0 | 0 | 0 | 104.4 | P325 | P325-V327 PolarHBondContact O-N 2.67Š|
| 328 | V | 25.5 | Very low | 25 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | cis | -127.4 | 132.9 | 48.1 | 169.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 329 | S | 22.9 | Very low | 24.8 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | -75.2 | 155.8 | 160.8 | -87.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 330 | R | 23 | Very low | 24.7 | Very low | 208 Ų | 208 | 145.5 Ų | 145.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | cis | -165.2 | 150.6 | 5.1 | -103.1 | 153.4 | -165 | -174 | 1.4 | 106.1 | ||||
| 331 | H | 26.8 | Very low | 24.6 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | -178.8 | 138.9 | 106.3 | -102.2 | -74.6 | 0 | 0 | 0 | 112.5 | |||||
| 332 | I | 23.6 | Very low | 24.6 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -133 | 151.9 | 172.6 | -49.2 | 164.3 | 0 | 0 | 0 | 104.8 | R334 | I332-R334 HydrophobicContact CG2-CG 4.39Š| ||
| 333 | P | 27 | Very low | 24.6 | Very low | 130 Ų | 130 | 153.3 Ų | 153.3 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | -131.9 | 148.1 | 108.9 | 7.9 | 13.4 | 0 | 0 | 0 | 113.8 | |||||
| 334 | R | 21.7 | Very low | 24.6 | Very low | 219 Ų | 219 | 153.7 Ų | 153.7 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -73.8 | 162.4 | 167.8 | -58.8 | 163.8 | 166.7 | 161.3 | -7.5 | 109.8 | I332 | I332-R334 HydrophobicContact CG2-CG 4.39Š| ||
| 335 | N | 24.9 | Very low | 24.5 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | -169.8 | 144.4 | 110.2 | -102.3 | -38.4 | 0 | 0 | 0 | 116.9 | |||||
| 336 | R | 25.5 | Very low | 24.4 | Very low | 229 Ų | 229 | 153.7 Ų | 153.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 57.4 | 106.9 | 152.1 | -62.9 | 175.6 | -178.3 | 180 | -0.8 | 120.3 | ||||
| 337 | H | 25.9 | Very low | 24.5 | Very low | 181 Ų | 181 | 158.7 Ų | 158.7 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -78.2 | 158 | 139.6 | -69.2 | -75.3 | 0 | 0 | 0 | 110.6 | ||||
| 338 | H | 23.3 | Very low | 24.7 | Very low | 189 Ų | 189 | 156.3 Ų | 156.3 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | -159.6 | 121.8 | 126.5 | -108.9 | 56.4 | 0 | 0 | 0 | 113.4 | |||||
| 339 | R | 22.5 | Very low | 24.6 | Very low | 230 Ų | 230 | 158.5 Ų | 158.5 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -1.1 | 131.1 | 166.7 | -61.6 | 176.1 | 174.4 | -177.4 | -3.4 | 122 | ||||
| 340 | I | 25.6 | Very low | 25.1 | Very low | 182 Ų | 182 | 159.5 Ų | 159.5 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | -163.2 | 142 | 120.3 | -86.4 | 145.4 | 0 | 0 | 0 | 104.5 | |||||
| 341 | G | 25 | Very low | 25.2 | Very low | 65 Ų | 65 | 154.3 Ų | 154.3 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | cis | -157.9 | 177.8 | -6.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | F343 | G341-F343 PolarHBondContact O-N 2.95Š| ||
| 342 | D | 23.5 | Very low | 25.5 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -61 | 122.9 | -161.4 | -58 | -62.9 | 0 | 0 | 0 | 117.1 | ||||
| 343 | F | 24.2 | Very low | 26.4 | Very low | 212 Ų | 212 | 147 Ų | 147 | 93% | 0.93 | 76% | 0.761 | S | S | * | * | trans | -142.7 | 128.1 | 140.5 | -97.9 | -76.8 | 0 | 0 | 0 | 109.4 | G341 E345 | G341-F343 PolarHBondContact O-N 2.95Å; F343-E345 PolarHBondContact O-N 3.35Å | ||
| 344 | G | 25 | Very low | 27.3 | Very low | 77 Ų | 77 | 145.4 Ų | 145.4 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -80.7 | 109.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A346 | G344-A346 PolarHBondContact O-N 2.74Š| ||
| 345 | E | 25.1 | Very low | 28.5 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | trans | -63.3 | 94.1 | 166 | -75.7 | -163 | 133.8 | 0 | 0 | 110.6 | F343 K347 | F343-E345 PolarHBondContact O-N 3.35Å; E345-K347 PolarHBondContact O-N 2.85Å | ||
| 346 | A | 23.9 | Very low | 29.8 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 59% | 0.587 | 73% | 0.731 | S | S | * | * | trans | -64.2 | 98.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | G344 V348 | G344-A346 PolarHBondContact O-N 2.74Å; A346-V348 WeakPolarHBondContact O-CG2 3.5Å; A346-V348 PolarHBondContact O-N 3.49Å | ||
| 347 | K | 25.3 | Very low | 31.1 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | trans | -62 | 86.8 | 167.6 | -84.6 | -173.4 | 173.6 | 178.8 | 0 | 109.5 | E345 K349 | E345-K347 PolarHBondContact O-N 2.85Å; K347-K349 VanDerWaalsContact C-N 3.31Å; K347-K349 PolarHBondContact O-N 3.39Å | ||
| 348 | V | 28.1 | Very low | 32.7 | Very low | 87 Ų | 87 | 125.1 Ų | 125.1 | 53% | 0.527 | 68% | 0.681 | S | S | . | * | trans | -67.6 | 90.7 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | F162 A346 I350 | F162-V348 HydrophobicContact CE2-CG2 4.31Å; A346-V348 WeakPolarHBondContact O-CG2 3.5Å; A346-V348 PolarHBondContact O-N 3.49Å; V348-I350 HydrophobicContact CG1-CG1 4.21Å; V348-I350 PolarHBondContact O-N 3.24Å; V348-I350 VanDerWaalsContact O-N 3.08Å | ||
| 349 | K | 24.7 | Very low | 34.5 | Very low | 177 Ų | 177 | 118.5 Ų | 118.5 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | trans | -55.2 | 113 | 155.4 | -71.9 | 179.8 | 176.3 | 177.2 | 0 | 106.9 | K347 S351 | K347-K349 VanDerWaalsContact C-N 3.31Å; K347-K349 PolarHBondContact O-N 3.39Å; K349-S351 PolarHBondContact O-N 3.08Å | ||
| 350 | I | 32.7 | Very low | 36.7 | Very low | 105 Ų | 105 | 110.8 Ų | 110.8 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | trans | -79.1 | 55.1 | 170.8 | -48.4 | -178.8 | 0 | 0 | 0 | 108.6 | V348 G352 F353 | V348-I350 HydrophobicContact CG1-CG1 4.21Å; V348-I350 PolarHBondContact O-N 3.24Å; V348-I350 VanDerWaalsContact O-N 3.08Å; I350-G352 PolarHBondContact O-N 3.03Å; I350-F353 HydrophobicContact CG2-CD2 3.95Å; I350-F353 HydrophobicContact CG2-CE2 4.15Å | ||
| 351 | S | 25.9 | Very low | 38.9 | Very low | 100 Ų | 100 | 102.3 Ų | 102.3 | 70% | 0.699 | 59% | 0.587 | S | S | * | * | trans | -97.2 | 76.2 | 174.1 | 55.7 | 0 | 0 | 0 | 0 | 108.2 | K349 | K349-S351 PolarHBondContact O-N 3.08Š| ||
| 352 | G | 32.8 | Very low | 41.3 | Very low | 72 Ų | 72 | 99.9 Ų | 99.9 | 74% | 0.742 | 56% | 0.559 | S | S | * | * | trans | -175.8 | 11.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | I350 | I350-G352 PolarHBondContact O-N 3.03Š| ||
| 353 | F | 41.5 | Very low | 43.6 | Very low | 85 Ų | 85 | 93.7 Ų | 93.7 | 37% | 0.373 | 52% | 0.523 | S | S | . | . | trans | -104.9 | 131.8 | 164.4 | -79.2 | -76.7 | 0 | 0 | 0 | 108.9 | I350 D355 | I350-F353 HydrophobicContact CG2-CD2 3.95Å; I350-F353 HydrophobicContact CG2-CE2 4.15Å; F353-D355 PolarHBondContact O-N 3.35Å | ||
| 354 | N | 46.1 | Very low | 46.1 | Very low | 98 Ų | 98 | 84.8 Ų | 84.8 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | trans | -73.4 | 120 | 168 | -63.2 | -45.2 | 0 | 0 | 0 | 108.1 | S356 E357 | N354-S356 PolarHBondContact O-N 3.14Å; N354-S356 VanDerWaalsContact O-N 3.07Å; N354-E357 HydrophobicContact CB-CG 4.15Å; N354-E357 PolarHBondContact ND2-OE1 3.29Å; N354-E357 WeakPolarHBondContact O-CB 3.18Å; N354-E357 PolarHBondContact O-N 3.27Å | ||
| 355 | D | 47.5 | Very low | 48.8 | Very low | 134 Ų | 134 | 81.1 Ų | 81.1 | 72% | 0.717 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -54.8 | -32.9 | -176 | -66.3 | -49.8 | 0 | 0 | 0 | 113 | F353 E357 L358 D359 | F353-D355 PolarHBondContact O-N 3.35Å; D355-E357 PolarHBondContact O-N 3.37Å; D355-L358 PolarHBondContact O-N 3.33Å; D355-D359 PolarHBondContact O-N 3.42Å |
| 356 | S | 50.9 | Low | 51.2 | Low | 81 Ų | 81 | 72.6 Ų | 72.6 | 57% | 0.566 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.2 | -31.3 | 176 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | N354 T360 | N354-S356 PolarHBondContact O-N 3.14Å; N354-S356 VanDerWaalsContact O-N 3.07Å; S356-T360 WeakPolarHBondContact O-CG2 3.42Å; S356-T360 PolarHBondContact O-OG1 3.38Å |
| 357 | E | 53 | Low | 53.9 | Low | 60 Ų | 60 | 71.3 Ų | 71.3 | 28% | 0.28 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -75.4 | -27.5 | 177.3 | -73.2 | -179.1 | -132.4 | 0 | 0 | 112.5 | F263 N354 D355 T360 | F263-E357 HydrophobicContact CD2-CB 4.24Å; F263-E357 HydrophobicContact CD2-CG 4.5Å; N354-E357 HydrophobicContact CB-CG 4.15Å; N354-E357 PolarHBondContact ND2-OE1 3.29Å; N354-E357 WeakPolarHBondContact O-CB 3.18Å; N354-E357 PolarHBondContact O-N 3.27Å; D355-E357 PolarHBondContact O-N 3.37Å; E357-T360 PolarHBondContact O-OG1 3.2Å |
| 358 | L | 59.3 | Low | 56.7 | Low | 70 Ų | 70 | 62.9 Ų | 62.9 | 37% | 0.366 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -76.7 | -50 | 178.5 | -175 | 61.1 | 0 | 0 | 0 | 110.3 | Y157 D355 T360 T361 I362 | Y157-L358 HydrophobicContact CD1-CD1 4.19Å; Y157-L358 HydrophobicContact CE1-CD1 4.05Å; D355-L358 PolarHBondContact O-N 3.33Å; L358-T360 PolarHBondContact O-N 3.46Å; L358-T361 PolarHBondContact O-N 2.94Å; L358-T361 PolarHBondContact O-OG1 2.82Å; L358-I362 HydrophobicContact CD1-CD1 4.31Å; L358-I362 HydrophobicContact CD2-CD1 4.48Å; L358-I362 HydrophobicContact CG-CD1 3.84Å; L358-I362 PolarHBondContact O-N 2.89Å; L358-I362 VanDerWaalsContact O-N 3.11Å |
| 359 | D | 62.9 | Low | 59.1 | Low | 50 Ų | 50 | 58.9 Ų | 58.9 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -50.9 | -50 | 179.5 | 174.6 | 37.7 | 0 | 0 | 0 | 113 | D355 T361 I362 R363 | D355-D359 PolarHBondContact O-N 3.42Å; D359-T361 VanDerWaalsContact C-N 3.28Å; D359-T361 PolarHBondContact O-N 2.95Å; D359-I362 PolarHBondContact O-N 3.48Å; D359-R363 VanDerWaalsContact CG-CZ 3.48Å; D359-R363 VanDerWaalsContact CG-NE 3.31Å; D359-R363 WeakPolarHBondContact O-CG 3.46Å; D359-R363 PolarHBondContact O-N 3.28Å; D359-R363 IonicContact OD1-CZ 2.76Å; D359-R363 IonicContact OD1-NE 2.93Å; D359-R363 PolarHBondContact OD1-NE 3.11Å; D359-R363 IonicContact OD1-NH2 2.88Å; D359-R363 PolarHBondContact OD1-NH2 2.56Å; D359-R363 IonicContact OD2-CZ 2.7Å; D359-R363 IonicContact OD2-NE 3.23Å; D359-R363 PolarHBondContact OD2-NE 2.78Å; D359-R363 IonicContact OD2-NH1 3.91Å; D359-R363 IonicContact OD2-NH2 2.7Å; D359-R363 PolarHBondContact OD2-NH2 3.13Å |
| 360 | T | 68.4 | Low | 61.7 | Low | 69 Ų | 69 | 50.7 Ų | 50.7 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.5 | -34.9 | 178.6 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | F263 S356 E357 L358 G364 | F263-T360 WeakPolarHBondContact CE2-OG1 3.27Å; S356-T360 WeakPolarHBondContact O-CG2 3.42Å; S356-T360 PolarHBondContact O-OG1 3.38Å; E357-T360 PolarHBondContact O-OG1 3.2Å; L358-T360 PolarHBondContact O-N 3.46Å; T360-G364 PolarHBondContact O-N 2.93Å |
| 361 | T | 72 | Confident | 64 | Low | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.2 | -33.7 | 177.3 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | F263 R266 L358 D359 G364 C365 | F263-T361 HydrophobicContact CD2-CG2 4.03Å; F263-T361 HydrophobicContact CE2-CG2 3.88Å; R266-T361 HydrophobicContact CB-CG2 4.15Å; L358-T361 PolarHBondContact O-N 2.94Å; L358-T361 PolarHBondContact O-OG1 2.82Å; D359-T361 VanDerWaalsContact C-N 3.28Å; D359-T361 PolarHBondContact O-N 2.95Å; T361-G364 PolarHBondContact O-N 3.47Å; T361-C365 PolarHBondContact O-N 3.4Å; T361-C365 PolarHBondContact O-SG 3.07Å |
| 362 | I | 73.5 | Confident | 66.4 | Low | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 174.1 | -66.5 | 163.4 | 0 | 0 | 0 | 110.3 | V299 L358 D359 G364 C365 L366 T473 | V299-I362 HydrophobicContact CG2-CD1 3.67Å; L358-I362 HydrophobicContact CD1-CD1 4.31Å; L358-I362 HydrophobicContact CD2-CD1 4.48Å; L358-I362 HydrophobicContact CG-CD1 3.84Å; L358-I362 PolarHBondContact O-N 2.89Å; L358-I362 VanDerWaalsContact O-N 3.11Å; D359-I362 PolarHBondContact O-N 3.48Å; I362-G364 VanDerWaalsContact C-N 3.31Å; I362-G364 PolarHBondContact O-N 3.35Å; I362-C365 WeakPolarHBondContact O-CB 3.43Å; I362-C365 PolarHBondContact O-N 3.39Å; I362-C365 VanDerWaalsContact O-N 3.15Å; I362-L366 HydrophobicContact CG2-CD1 4.21Å; I362-L366 PolarHBondContact O-N 3.43Å; I362-T473 HydrophobicContact CG2-CG2 3.75Å |
| 363 | R | 73.1 | Confident | 68.5 | Low | 34 Ų | 34 | 38.9 Ų | 38.9 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 174.2 | -70.2 | 170.7 | -172.6 | -165.9 | 6.1 | 112.2 | D359 L366 L367 I489 | D359-R363 VanDerWaalsContact CG-CZ 3.48Å; D359-R363 VanDerWaalsContact CG-NE 3.31Å; D359-R363 WeakPolarHBondContact O-CG 3.46Å; D359-R363 PolarHBondContact O-N 3.28Å; D359-R363 IonicContact OD1-CZ 2.76Å; D359-R363 IonicContact OD1-NE 2.93Å; D359-R363 PolarHBondContact OD1-NE 3.11Å; D359-R363 IonicContact OD1-NH2 2.88Å; D359-R363 PolarHBondContact OD1-NH2 2.56Å; D359-R363 IonicContact OD2-CZ 2.7Å; D359-R363 IonicContact OD2-NE 3.23Å; D359-R363 PolarHBondContact OD2-NE 2.78Å; D359-R363 IonicContact OD2-NH1 3.91Å; D359-R363 IonicContact OD2-NH2 2.7Å; D359-R363 PolarHBondContact OD2-NH2 3.13Å; R363-L366 PolarHBondContact O-N 3.04Å; R363-L367 WeakPolarHBondContact O-CG 3.36Å; R363-L367 PolarHBondContact O-N 3.49Å; R363-L367 VanDerWaalsContact O-N 3.1Å; R363-I489 HydrophobicContact CB-CD1 4.13Å; R363-I489 HydrophobicContact CG-CD1 3.95Å |
| 364 | G | 77.3 | Confident | 70 | Confident | 24 Ų | 24 | 38 Ų | 38 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T360 T361 I362 I368 | T360-G364 PolarHBondContact O-N 2.93Å; T361-G364 PolarHBondContact O-N 3.47Å; I362-G364 VanDerWaalsContact C-N 3.31Å; I362-G364 PolarHBondContact O-N 3.35Å; G364-I368 WeakPolarHBondContact O-CG1 3.41Å; G364-I368 PolarHBondContact O-N 3.04Å |
| 365 | C | 80.4 | Confident | 71.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 112 | V292 T361 I362 I368 L369 | V292-C365 HydrophobicContact CG1-CB 3.72Å; T361-C365 PolarHBondContact O-N 3.4Å; T361-C365 PolarHBondContact O-SG 3.07Å; I362-C365 WeakPolarHBondContact O-CB 3.43Å; I362-C365 PolarHBondContact O-N 3.39Å; I362-C365 VanDerWaalsContact O-N 3.15Å; C365-I368 PolarHBondContact O-N 2.93Å; C365-L369 WeakPolarHBondContact O-CG 3.23Å; C365-L369 PolarHBondContact O-N 3.44Å |
| 366 | L | 76.1 | Confident | 72.1 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 178.6 | -75 | 171.1 | 0 | 0 | 0 | 113 | C296 I362 R363 L369 A370 A469 F474 | C296-L366 HydrophobicContact CB-CD2 4.5Å; I362-L366 HydrophobicContact CG2-CD1 4.21Å; I362-L366 PolarHBondContact O-N 3.43Å; R363-L366 PolarHBondContact O-N 3.04Å; L366-L369 PolarHBondContact O-N 3.38Å; L366-A370 WeakPolarHBondContact O-CB 3.39Å; L366-A370 PolarHBondContact O-N 3.38Å; L366-A469 HydrophobicContact CD2-CB 3.7Å; L366-F474 HydrophobicContact CD1-CE2 4.4Å |
| 367 | L | 81.3 | Confident | 72.5 | Confident | 45 Ų | 45 | 25.9 Ų | 25.9 | 24% | 0.236 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 178.1 | -72 | 169.6 | 0 | 0 | 0 | 111.9 | R363 L369 A370 E371 I489 A492 | R363-L367 WeakPolarHBondContact O-CG 3.36Å; R363-L367 PolarHBondContact O-N 3.49Å; R363-L367 VanDerWaalsContact O-N 3.1Å; L367-L369 PolarHBondContact O-N 2.95Å; L367-A370 PolarHBondContact O-N 2.96Å; L367-E371 PolarHBondContact O-N 3.1Å; L367-I489 HydrophobicContact CD2-CG2 4.2Å; L367-I489 HydrophobicContact CG-CG2 4.28Å; L367-A492 HydrophobicContact CD2-CB 4.4Å |
| 368 | I | 82.7 | Confident | 72.4 | Confident | 12 Ų | 12 | 25.6 Ų | 25.6 | 6% | 0.062 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -42 | 174.8 | -68 | 171.8 | 0 | 0 | 0 | 111.2 | L270 I273 Y274 G364 C365 L372 | L270-I368 HydrophobicContact CB-CD1 4.32Å; L270-I368 HydrophobicContact CD2-CD1 3.79Å; I273-I368 HydrophobicContact CG2-CG2 4.07Å; Y274-I368 HydrophobicContact CD2-CG1 4.4Å; G364-I368 WeakPolarHBondContact O-CG1 3.41Å; G364-I368 PolarHBondContact O-N 3.04Å; C365-I368 PolarHBondContact O-N 2.93Å; I368-L372 WeakPolarHBondContact O-CB 3.36Å; I368-L372 PolarHBondContact O-N 2.83Å |
| 369 | L | 78.6 | Confident | 71.9 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.5 | -38.4 | 176.7 | -70.7 | 170.3 | 0 | 0 | 0 | 112.4 | I289 V292 A293 C365 L366 L367 V373 I465 I466 | I289-L369 HydrophobicContact CG2-CD2 4.4Å; V292-L369 HydrophobicContact CG1-CD1 4.21Å; V292-L369 HydrophobicContact CG1-CD2 4.24Å; V292-L369 HydrophobicContact CG1-CG 3.88Å; A293-L369 HydrophobicContact CB-CD1 4.41Å; C365-L369 WeakPolarHBondContact O-CG 3.23Å; C365-L369 PolarHBondContact O-N 3.44Å; L366-L369 PolarHBondContact O-N 3.38Å; L367-L369 PolarHBondContact O-N 2.95Å; L369-V373 WeakPolarHBondContact O-CG2 3.34Å; L369-V373 PolarHBondContact O-N 2.96Å; L369-I465 HydrophobicContact CD1-CG2 4.43Å; L369-I466 HydrophobicContact CB-CD1 4.4Å; L369-I466 HydrophobicContact CB-CG1 4.42Å |
| 370 | A | 78.8 | Confident | 71.3 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 5% | 0.05 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L366 L367 V373 I374 V493 S496 | L366-A370 WeakPolarHBondContact O-CB 3.39Å; L366-A370 PolarHBondContact O-N 3.38Å; L367-A370 PolarHBondContact O-N 2.96Å; A370-V373 PolarHBondContact O-N 2.69Å; A370-I374 WeakPolarHBondContact O-CG1 3.39Å; A370-I374 PolarHBondContact O-N 3.25Å; A370-V493 HydrophobicContact CB-CG2 4.12Å; A370-S496 WeakPolarHBondContact O-CB 3.29Å |
| 371 | E | 81.5 | Confident | 70 | Confident | 21 Ų | 21 | 23.5 Ų | 23.5 | 10% | 0.098 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70 | -37.6 | 176.2 | -165.6 | 168.7 | 140.9 | 0 | 0 | 111.7 | L367 V373 I374 L375 L1471 | L367-E371 PolarHBondContact O-N 3.1Å; E371-V373 VanDerWaalsContact C-N 3.32Å; E371-V373 PolarHBondContact O-N 3.26Å; E371-I374 PolarHBondContact O-N 3.37Å; E371-I374 VanDerWaalsContact O-N 3.11Å; E371-L375 HydrophobicContact CG-CD1 3.88Å; E371-L375 HydrophobicContact CG-CG 4.2Å; E371-L375 WeakPolarHBondContact O-CB 3.4Å; E371-L375 WeakPolarHBondContact O-CG 3.28Å; E371-L375 PolarHBondContact O-N 3.07Å; E371-L1471 HydrophobicContact CG-CD1 4.42Å |
| 372 | L | 77.8 | Confident | 68.3 | Low | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60 | -40 | 173.3 | -175.2 | 156.2 | 0 | 0 | 0 | 112.2 | T277 I284 I289 I368 I374 L375 A376 L380 I462 | T277-L372 HydrophobicContact CG2-CB 4.21Å; I284-L372 HydrophobicContact CD1-CD1 3.52Å; I284-L372 HydrophobicContact CD1-CG 3.91Å; I284-L372 HydrophobicContact CG2-CD1 4.21Å; I289-L372 HydrophobicContact CD1-CD1 4.31Å; I289-L372 HydrophobicContact CG1-CD1 4.01Å; I368-L372 WeakPolarHBondContact O-CB 3.36Å; I368-L372 PolarHBondContact O-N 2.83Å; L372-I374 VanDerWaalsContact C-N 3.32Å; L372-I374 PolarHBondContact O-N 3.3Å; L372-L375 PolarHBondContact O-N 3.23Å; L372-A376 WeakPolarHBondContact O-CB 3.46Å; L372-A376 PolarHBondContact O-N 3.36Å; L372-L380 HydrophobicContact CD2-CD1 3.96Å; L372-I462 HydrophobicContact CD2-CD1 4.46Å |
| 373 | V | 75.1 | Confident | 66.4 | Low | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -36.2 | 173.9 | 161.3 | 0 | 0 | 0 | 0 | 112.4 | L369 A370 E371 F459 I462 I466 V500 | L369-V373 WeakPolarHBondContact O-CG2 3.34Å; L369-V373 PolarHBondContact O-N 2.96Å; A370-V373 PolarHBondContact O-N 2.69Å; E371-V373 VanDerWaalsContact C-N 3.32Å; E371-V373 PolarHBondContact O-N 3.26Å; V373-F459 HydrophobicContact CG1-CE2 4.13Å; V373-F459 HydrophobicContact CG1-CZ 4.38Å; V373-F459 HydrophobicContact CG2-CE2 4.29Å; V373-I462 HydrophobicContact CG2-CG2 3.51Å; V373-I466 HydrophobicContact CG2-CD1 3.72Å; V373-V500 HydrophobicContact CG1-CG2 3.53Å |
| 374 | I | 73.1 | Confident | 64.5 | Low | 67 Ų | 67 | 34.4 Ų | 34.4 | 34% | 0.344 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -71.8 | -43.2 | 176.2 | -64.2 | 165.5 | 0 | 0 | 0 | 110.9 | A370 E371 L372 A499 L1471 | A370-I374 WeakPolarHBondContact O-CG1 3.39Å; A370-I374 PolarHBondContact O-N 3.25Å; E371-I374 PolarHBondContact O-N 3.37Å; E371-I374 VanDerWaalsContact O-N 3.11Å; L372-I374 VanDerWaalsContact C-N 3.32Å; L372-I374 PolarHBondContact O-N 3.3Å; I374-A499 HydrophobicContact CG1-CB 4.43Å; I374-L1471 HydrophobicContact CD1-CD1 4.1Å |
| 375 | L | 72.8 | Confident | 62 | Low | 34 Ų | 34 | 39 Ų | 39 | 18% | 0.178 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -85.6 | -23.4 | -169.8 | -65 | 179.7 | 0 | 0 | 0 | 115.5 | T277 P281 E371 L372 I1473 | T277-L375 HydrophobicContact CG2-CD1 4.43Å; P281-L375 HydrophobicContact CB-CB 3.59Å; P281-L375 HydrophobicContact CB-CD1 4.43Å; P281-L375 HydrophobicContact CG-CB 4.02Å; E371-L375 HydrophobicContact CG-CD1 3.88Å; E371-L375 HydrophobicContact CG-CG 4.2Å; E371-L375 WeakPolarHBondContact O-CB 3.4Å; E371-L375 WeakPolarHBondContact O-CG 3.28Å; E371-L375 PolarHBondContact O-N 3.07Å; L372-L375 PolarHBondContact O-N 3.23Å; L375-I1473 HydrophobicContact CD2-CD1 3.4Å; L375-I1473 VanDerWaalsContact CD2-CD1 3.4Å; L375-I1473 HydrophobicContact CD2-CG1 4.02Å |
| 376 | A | 65 | Low | 59.5 | Low | 6 Ų | 6 | 42.8 Ų | 42.8 | 5% | 0.05 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -119.2 | 7 | -169 | 0 | 0 | 0 | 0 | 0 | 115.2 | P281 L372 E378 R379 L380 | P281-A376 HydrophobicContact CB-CB 4.3Å; P281-A376 WeakPolarHBondContact O-CB 3.47Å; L372-A376 WeakPolarHBondContact O-CB 3.46Å; L372-A376 PolarHBondContact O-N 3.36Å; A376-E378 PolarHBondContact O-N 3.31Å; A376-R379 PolarHBondContact O-N 3.29Å; A376-R379 VanDerWaalsContact O-N 3.12Å; A376-L380 HydrophobicContact CB-CD1 4.05Å; A376-L380 HydrophobicContact CB-CG 4.17Å; A376-L380 PolarHBondContact O-N 2.65Å |
| 377 | L | 60.8 | Low | 57.1 | Low | 18 Ų | 18 | 47.1 Ų | 47.1 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -53.3 | -168 | -172.2 | 61.2 | 0 | 0 | 0 | 114.3 | R379 I381 F459 V500 Y506 | L377-R379 PolarHBondContact O-N 3.11Å; L377-I381 WeakPolarHBondContact O-CD1 3.43Å; L377-F459 HydrophobicContact CD1-CD2 3.92Å; L377-F459 HydrophobicContact CD1-CE1 4.27Å; L377-F459 HydrophobicContact CD1-CE2 3.26Å; L377-F459 HydrophobicContact CD1-CZ 3.47Å; L377-F459 VanDerWaalsContact CD1-CZ 3.47Å; L377-V500 HydrophobicContact CD1-CG1 4.19Å; L377-V500 HydrophobicContact CD1-CG2 4.11Å; L377-V500 HydrophobicContact CD2-CG1 4.31Å; L377-V500 HydrophobicContact CD2-CG2 4.22Å; L377-Y506 HydrophobicContact CD1-CD1 3.97Å; L377-Y506 HydrophobicContact CD1-CG 4.46Å; L377-Y506 HydrophobicContact CD2-CD1 3.67Å; L377-Y506 HydrophobicContact CD2-CD2 4.09Å; L377-Y506 HydrophobicContact CD2-CE1 4.22Å; L377-Y506 HydrophobicContact CD2-CG 3.62Å; L377-Y506 HydrophobicContact CG-CD1 3.49Å; L377-Y506 VanDerWaalsContact CG-CD1 3.49Å; L377-Y506 HydrophobicContact CG-CE1 3.91Å; L377-Y506 HydrophobicContact CG-CG 4Å |
| 378 | E | 50.6 | Low | 54.5 | Low | 55 Ų | 55 | 51.5 Ų | 51.5 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -42.2 | -179.2 | -68.8 | 161.9 | -168.1 | 0 | 0 | 113 | A376 L382 R503 N1594 | A376-E378 PolarHBondContact O-N 3.31Å; E378-L382 PolarHBondContact O-N 3.46Å; E378-R503 IonicContact OE1-CZ 2.7Å; E378-R503 IonicContact OE1-NH1 3.32Å; E378-R503 PolarHBondContact OE1-NH1 2.9Å; E378-R503 IonicContact OE1-NH2 3.62Å; E378-N1594 VanDerWaalsContact CD-ND2 3.34Å; E378-N1594 PolarHBondContact OE1-ND2 3.42Å; E378-N1594 PolarHBondContact OE1-OD1 2.78Å; E378-N1594 PolarHBondContact OE2-ND2 2.91Å; E378-N1594 VanDerWaalsContact OE2-ND2 3.08Å |
| 379 | R | 49.1 | Very low | 51.8 | Low | 84 Ų | 84 | 56.6 Ų | 56.6 | 32% | 0.317 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -96.8 | -14.7 | -167.6 | -66.2 | -169.7 | -178.8 | -166.6 | -9.2 | 114.8 | A376 L377 I381 L382 R383 N1591 | A376-R379 PolarHBondContact O-N 3.29Å; A376-R379 VanDerWaalsContact O-N 3.12Å; L377-R379 PolarHBondContact O-N 3.11Å; R379-I381 PolarHBondContact O-N 3.42Å; R379-L382 PolarHBondContact O-N 3.06Å; R379-R383 PolarHBondContact O-N 3.43Å; R379-N1591 PolarHBondContact NH2-OD1 3.4Å |
| 380 | L | 49.9 | Very low | 49.2 | Very low | 27 Ų | 27 | 62.7 Ų | 62.7 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.8 | -21.7 | 161.3 | -78.8 | 166.7 | 0 | 0 | 0 | 112.4 | I289 L372 A376 F459 I462 | I289-L380 HydrophobicContact CD1-CD2 4.28Å; L372-L380 HydrophobicContact CD2-CD1 3.96Å; A376-L380 HydrophobicContact CB-CD1 4.05Å; A376-L380 HydrophobicContact CB-CG 4.17Å; A376-L380 PolarHBondContact O-N 2.65Å; L380-F459 HydrophobicContact CD1-CD2 4.43Å; L380-I462 HydrophobicContact CD1-CD1 4.19Å; L380-I462 HydrophobicContact CD2-CD1 4.37Å |
| 381 | I | 41.4 | Very low | 46.5 | Very low | 33 Ų | 33 | 70 Ų | 70 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -92.4 | -41.4 | 176.9 | -54.9 | 154.2 | 0 | 0 | 0 | 110.8 | L377 R379 T384 L456 Y506 L509 | L377-I381 WeakPolarHBondContact O-CD1 3.43Å; R379-I381 PolarHBondContact O-N 3.42Å; I381-T384 WeakPolarHBondContact O-CB 3.3Å; I381-T384 WeakPolarHBondContact O-CG2 3.46Å; I381-T384 PolarHBondContact O-OG1 3.17Å; I381-L456 HydrophobicContact CG2-CD1 3.79Å; I381-Y506 HydrophobicContact CD1-CD1 3.91Å; I381-Y506 HydrophobicContact CD1-CE1 3.72Å; I381-L509 HydrophobicContact CD1-CD1 3.48Å; I381-L509 VanDerWaalsContact CD1-CD1 3.48Å; I381-L509 HydrophobicContact CG1-CD1 4.21Å |
| 382 | L | 36.4 | Very low | 43.8 | Very low | 95 Ų | 95 | 73.7 Ų | 73.7 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -82.2 | -18.2 | -175.6 | -78.9 | 164.9 | 0 | 0 | 0 | 115.7 | E378 R379 T384 | E378-L382 PolarHBondContact O-N 3.46Å; R379-L382 PolarHBondContact O-N 3.06Å; L382-T384 PolarHBondContact O-N 2.98Å |
| 383 | R | 33.3 | Very low | 41.2 | Very low | 145 Ų | 145 | 83.8 Ų | 83.8 | 55% | 0.547 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 8.8 | 173.1 | -113.7 | 179.4 | 176.3 | -168.7 | -1.2 | 114.3 | L283 R379 N385 | L283-R383 PolarHBondContact O-NH1 3.37Å; R379-R383 PolarHBondContact O-N 3.43Å; R383-N385 PolarHBondContact O-N 3.09Å |
| 384 | T | 31.7 | Very low | 38.8 | Very low | 41 Ų | 41 | 89 Ų | 89 | 25% | 0.252 | 47% | 0.468 | S | S | . | . | trans | -86 | 21.5 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | I381 L382 L455 | I381-T384 WeakPolarHBondContact O-CB 3.3Å; I381-T384 WeakPolarHBondContact O-CG2 3.46Å; I381-T384 PolarHBondContact O-OG1 3.17Å; L382-T384 PolarHBondContact O-N 2.98Å; T384-L455 HydrophobicContact CG2-CB 3.69Å; T384-L455 WeakPolarHBondContact CG2-O 3.28Å | ||
| 385 | N | 25.4 | Very low | 36.3 | Very low | 120 Ų | 120 | 95.5 Ų | 95.5 | 64% | 0.642 | 49% | 0.494 | S | S | * | . | trans | -65.4 | 132.1 | -169 | -125.1 | -26.6 | 0 | 0 | 0 | 111.9 | R383 S387 | R383-N385 PolarHBondContact O-N 3.09Å; N385-S387 VanDerWaalsContact C-N 3.29Å; N385-S387 PolarHBondContact O-N 2.94Å | ||
| 386 | P | 28.2 | Very low | 34 | Very low | 79 Ų | 79 | 100.9 Ų | 100.9 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -76.1 | -8.6 | -164.9 | -17.8 | 32.9 | 0 | 0 | 0 | 116 | V388 V389 | P386-V388 VanDerWaalsContact C-N 3.3Å; P386-V388 PolarHBondContact O-N 3.28Å; P386-V388 VanDerWaalsContact O-N 3.15Å; P386-V389 PolarHBondContact O-N 3.41Å |
| 387 | S | 25.4 | Very low | 32 | Very low | 92 Ų | 92 | 104.7 Ų | 104.7 | 64% | 0.643 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -71.4 | -10.5 | -159.4 | 46.9 | 0 | 0 | 0 | 0 | 116.5 | N385 | N385-S387 VanDerWaalsContact C-N 3.29Å; N385-S387 PolarHBondContact O-N 2.94Å |
| 388 | V | 27.4 | Very low | 30.2 | Very low | 137 Ų | 137 | 113.7 Ų | 113.7 | 83% | 0.83 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -98.3 | -4.7 | 177.3 | -169.6 | 0 | 0 | 0 | 0 | 112.2 | P386 N390 | P386-V388 VanDerWaalsContact C-N 3.3Å; P386-V388 PolarHBondContact O-N 3.28Å; P386-V388 VanDerWaalsContact O-N 3.15Å; V388-N390 VanDerWaalsContact C-N 3.29Å; V388-N390 PolarHBondContact O-N 3.46Å; V388-N390 VanDerWaalsContact O-N 3.14Å |
| 389 | V | 26.6 | Very low | 29 | Very low | 119 Ų | 119 | 115.6 Ų | 115.6 | 72% | 0.721 | 60% | 0.602 | S | S | * | * | trans | -91.4 | 59.4 | 177 | -166.1 | 0 | 0 | 0 | 0 | 110.7 | P386 | P386-V389 PolarHBondContact O-N 3.41Š| ||
| 390 | N | 23.2 | Very low | 27.9 | Very low | 130 Ų | 130 | 118.9 Ų | 118.9 | 70% | 0.695 | 63% | 0.626 | S | S | * | * | trans | -129.2 | 26.8 | -176.9 | -124.7 | -4.2 | 0 | 0 | 0 | 114.8 | V388 | V388-N390 VanDerWaalsContact C-N 3.29Å; V388-N390 PolarHBondContact O-N 3.46Å; V388-N390 VanDerWaalsContact O-N 3.14Å | ||
| 391 | H | 23 | Very low | 26.9 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 74% | 0.741 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -136.9 | 145.8 | 161.9 | -89.6 | -78.6 | 0 | 0 | 0 | 112.7 | ||
| 392 | S | 24.2 | Very low | 26.4 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | trans | 67.7 | 115.4 | -180 | 76.7 | 0 | 0 | 0 | 0 | 117.2 | I394 | S392-I394 PolarHBondContact O-N 3.31Š| ||
| 393 | K | 22.2 | Very low | 26.1 | Very low | 217 Ų | 217 | 130.5 Ų | 130.5 | 94% | 0.943 | 66% | 0.662 | S | S | * | * | trans | -79.5 | 106.3 | 164.4 | -71.5 | 172.2 | 178.1 | 171 | 0 | 108.7 | ||||
| 394 | I | 24.5 | Very low | 25.9 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 57% | 0.569 | 67% | 0.666 | S | S | * | * | trans | -116 | 121.8 | 167.6 | -59.6 | -177.2 | 0 | 0 | 0 | 109.4 | S392 L396 | S392-I394 PolarHBondContact O-N 3.31Å; I394-L396 HydrophobicContact CG2-CG 4.37Å; I394-L396 PolarHBondContact O-N 2.62Å; I394-L396 VanDerWaalsContact O-N 3.07Å | ||
| 395 | K | 21.2 | Very low | 25.7 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 88% | 0.883 | 68% | 0.679 | S | S | * | * | trans | -70.4 | 97.4 | 172.9 | -75.9 | -179.3 | 176.8 | 175.9 | 0 | 109.6 | S397 | K395-S397 PolarHBondContact O-N 3.01Š| ||
| 396 | L | 24.5 | Very low | 25.9 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | trans | -93 | 76.3 | 171 | -85.7 | 166.4 | 0 | 0 | 0 | 111.9 | I394 | I394-L396 HydrophobicContact CG2-CG 4.37Å; I394-L396 PolarHBondContact O-N 2.62Å; I394-L396 VanDerWaalsContact O-N 3.07Å | ||
| 397 | S | 22.3 | Very low | 25.9 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 60% | 0.601 | 68% | 0.677 | S | S | * | * | trans | -70.3 | 148.4 | 147.3 | 46.6 | 0 | 0 | 0 | 0 | 109.6 | K395 | K395-S397 PolarHBondContact O-N 3.01Š| ||
| 398 | Y | 24 | Very low | 25.9 | Very low | 208 Ų | 208 | 137.1 Ų | 137.1 | 82% | 0.816 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 63.8 | 75.1 | 176.8 | -62.9 | -85.2 | 0 | 0 | 0 | 117.7 | ||
| 399 | S | 25.7 | Very low | 25.9 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 66% | 0.657 | S | S | * | * | trans | -153.9 | 38 | 146.2 | -149.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 400 | N | 26.1 | Very low | 26 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -103 | -2.6 | 172.2 | -96.5 | 12 | 0 | 0 | 0 | 113.9 | ||
| 401 | Y | 28.6 | Very low | 26.2 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 62% | 0.624 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -88.3 | -35.3 | -170.9 | -97.5 | -94.9 | 0 | 0 | 0 | 114.8 | Y404 Y405 | Y401-Y404 PolarHBondContact O-N 3.07Å; Y401-Y405 HydrophobicContact CD1-CD2 4.1Å; Y401-Y405 HydrophobicContact CD1-CE2 4.02Å; Y401-Y405 PolarHBondContact O-N 3.38Å |
| 402 | Y | 30.5 | Very low | 26.2 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 38% | 0.384 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -71.1 | -42.4 | -167.3 | -94.1 | -93.6 | 0 | 0 | 0 | 114.6 | Y404 Y405 Y406 H2267 N2270 | Y402-Y404 VanDerWaalsContact C-N 3.33Å; Y402-Y405 PolarHBondContact O-N 2.93Å; Y402-Y406 PolarHBondContact O-N 3.28Å; Y402-H2267 AromaticContact CE1-CE1 3.71Å; Y402-N2270 PolarHBondContact OH-OD1 3.38Å; Y402-N2270 VanDerWaalsContact OH-OD1 3.06Å |
| 403 | Y | 30.9 | Very low | 26.4 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 55% | 0.553 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.5 | -31.8 | 176.5 | -138 | -84.1 | 0 | 0 | 0 | 111.7 | L461 | Y403-L461 WeakPolarHBondContact OH-CD1 3.38Å |
| 404 | Y | 28.7 | Very low | 26.5 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 63% | 0.627 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.1 | -48.4 | 172.4 | -132.6 | -95 | 0 | 0 | 0 | 110.4 | Y401 Y402 Y406 C407 H408 | Y401-Y404 PolarHBondContact O-N 3.07Å; Y402-Y404 VanDerWaalsContact C-N 3.33Å; Y404-Y406 VanDerWaalsContact C-N 3.32Å; Y404-Y406 PolarHBondContact O-N 3.31Å; Y404-C407 PolarHBondContact O-N 3.44Å; Y404-C407 VanDerWaalsContact O-N 3.08Å; Y404-H408 AromaticContact CD1-CD2 3.77Å; Y404-H408 AromaticContact CE1-CD2 3.62Å; Y404-H408 AromaticContact CE1-NE2 3.93Å; Y404-H408 WeakPolarHBondContact O-CB 3.13Å; Y404-H408 PolarHBondContact O-N 2.91Å |
| 405 | Y | 27.3 | Very low | 26.5 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 53% | 0.525 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -54.8 | -42.1 | -178.9 | -114.2 | -97 | 0 | 0 | 0 | 113.6 | Y401 Y402 C407 H408 Y409 | Y401-Y405 HydrophobicContact CD1-CD2 4.1Å; Y401-Y405 HydrophobicContact CD1-CE2 4.02Å; Y401-Y405 PolarHBondContact O-N 3.38Å; Y402-Y405 PolarHBondContact O-N 2.93Å; Y405-C407 VanDerWaalsContact C-N 3.28Å; Y405-C407 PolarHBondContact O-N 3.41Å; Y405-H408 PolarHBondContact O-N 2.84Å; Y405-Y409 HydrophobicContact CD1-CD2 4.12Å; Y405-Y409 HydrophobicContact CD1-CE2 4.43Å; Y405-Y409 HydrophobicContact CE1-CD2 4.38Å; Y405-Y409 HydrophobicContact CE1-CE2 4.3Å; Y405-Y409 PolarHBondContact O-N 2.99Å |
| 406 | Y | 29.6 | Very low | 26.6 | Very low | 174 Ų | 174 | 139 Ų | 139 | 68% | 0.682 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.7 | -24.7 | -179.3 | -119 | -84.9 | 0 | 0 | 0 | 113.9 | Y402 Y404 | Y402-Y406 PolarHBondContact O-N 3.28Å; Y404-Y406 VanDerWaalsContact C-N 3.32Å; Y404-Y406 PolarHBondContact O-N 3.31Å |
| 407 | C | 27.5 | Very low | 26.5 | Very low | 63 Ų | 63 | 139.9 Ų | 139.9 | 43% | 0.426 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -91.9 | -35.7 | 171.5 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | Y404 Y405 Y409 Y410 Y411 | Y404-C407 PolarHBondContact O-N 3.44Å; Y404-C407 VanDerWaalsContact O-N 3.08Å; Y405-C407 VanDerWaalsContact C-N 3.28Å; Y405-C407 PolarHBondContact O-N 3.41Å; C407-Y409 VanDerWaalsContact C-N 3.34Å; C407-Y409 PolarHBondContact O-N 3.43Å; C407-Y410 PolarHBondContact O-N 2.9Å; C407-Y410 VanDerWaalsContact O-N 3.11Å; C407-Y411 PolarHBondContact O-N 3.41Å; C407-Y411 VanDerWaalsContact O-N 3.14Å |
| 408 | H | 25.8 | Very low | 26.5 | Very low | 86 Ų | 86 | 144.6 Ų | 144.6 | 40% | 0.398 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.7 | -34.4 | -179.4 | -133.8 | -118 | 0 | 0 | 0 | 111.9 | Y404 Y405 Y410 Y411 H412 | Y404-H408 AromaticContact CD1-CD2 3.77Å; Y404-H408 AromaticContact CE1-CD2 3.62Å; Y404-H408 AromaticContact CE1-NE2 3.93Å; Y404-H408 WeakPolarHBondContact O-CB 3.13Å; Y404-H408 PolarHBondContact O-N 2.91Å; Y405-H408 PolarHBondContact O-N 2.84Å; H408-Y410 PolarHBondContact O-N 2.95Å; H408-Y411 PolarHBondContact O-N 2.89Å; H408-Y411 VanDerWaalsContact O-N 3.13Å; H408-H412 AromaticContact CE1-CD2 3.6Å; H408-H412 AromaticContact ND1-CD2 3.68Å; H408-H412 WeakPolarHBondContact O-CB 3.41Å; H408-H412 PolarHBondContact O-N 3.23Å |
| 409 | Y | 27.6 | Very low | 26.5 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 66% | 0.663 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.1 | -19.7 | 173.9 | -122 | -76 | 0 | 0 | 0 | 113.8 | Y405 C407 | Y405-Y409 HydrophobicContact CD1-CD2 4.12Å; Y405-Y409 HydrophobicContact CD1-CE2 4.43Å; Y405-Y409 HydrophobicContact CE1-CD2 4.38Å; Y405-Y409 HydrophobicContact CE1-CE2 4.3Å; Y405-Y409 PolarHBondContact O-N 2.99Å; C407-Y409 VanDerWaalsContact C-N 3.34Å; C407-Y409 PolarHBondContact O-N 3.43Å |
| 410 | Y | 29.2 | Very low | 26.4 | Very low | 116 Ų | 116 | 141 Ų | 141 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -90.5 | -33.4 | 172 | -107.1 | -73.3 | 0 | 0 | 0 | 112.9 | C407 H408 L529 | C407-Y410 PolarHBondContact O-N 2.9Å; C407-Y410 VanDerWaalsContact O-N 3.11Å; H408-Y410 PolarHBondContact O-N 2.95Å; Y410-L529 HydrophobicContact CE1-CD2 4.13Å |
| 411 | Y | 26.5 | Very low | 26.2 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 69% | 0.69 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.8 | -39.6 | 179.2 | -113.7 | -92.7 | 0 | 0 | 0 | 113.1 | C407 H408 Y413 Y414 | C407-Y411 PolarHBondContact O-N 3.41Å; C407-Y411 VanDerWaalsContact O-N 3.14Å; H408-Y411 PolarHBondContact O-N 2.89Å; H408-Y411 VanDerWaalsContact O-N 3.13Å; Y411-Y413 PolarHBondContact O-N 3.02Å; Y411-Y414 PolarHBondContact O-N 3.25Å |
| 412 | H | 24.3 | Very low | 26 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 50% | 0.5 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -5.9 | -171.7 | -132.2 | -75.6 | 0 | 0 | 0 | 114.9 | H408 | H408-H412 AromaticContact CE1-CD2 3.6Å; H408-H412 AromaticContact ND1-CD2 3.68Å; H408-H412 WeakPolarHBondContact O-CB 3.41Å; H408-H412 PolarHBondContact O-N 3.23Å |
| 413 | Y | 26.9 | Very low | 25.6 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -6.1 | 173.8 | -119 | -74.3 | 0 | 0 | 0 | 113.6 | Y411 | Y411-Y413 PolarHBondContact O-N 3.02Š|
| 414 | Y | 25.5 | Very low | 25.3 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 34% | 0.337 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -107.3 | -0.6 | -177.1 | -104.8 | -84.2 | 0 | 0 | 0 | 114.1 | Y411 F528 | Y411-Y414 PolarHBondContact O-N 3.25Å; Y414-F528 HydrophobicContact CE1-CB 3.96Å; Y414-F528 HydrophobicContact CE2-CB 4.16Å; Y414-F528 WeakPolarHBondContact CE2-O 3.12Å; Y414-F528 WeakPolarHBondContact OH-CB 3.41Å |
| 415 | Y | 23.5 | Very low | 25.1 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 81% | 0.808 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -136.3 | 27.3 | -176.2 | -115.4 | -82.1 | 0 | 0 | 0 | 113.9 | ||
| 416 | Y | 22.9 | Very low | 24.9 | Very low | 180 Ų | 180 | 141 Ų | 141 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | -140 | 64.8 | 176.7 | -112.4 | -76.5 | 0 | 0 | 0 | 111.7 | ||||
| 417 | H | 23.6 | Very low | 24.8 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 77% | 0.769 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -155.5 | 34.5 | 165 | -116.6 | -62 | 0 | 0 | 0 | 114.4 | ||
| 418 | H | 22.1 | Very low | 24.5 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 86% | 0.856 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -156.5 | 72.9 | 161.7 | -104 | -70.7 | 0 | 0 | 0 | 109.9 | ||
| 419 | H | 23.1 | Very low | 24.4 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -173.9 | 113.6 | 139.5 | -101.4 | -68.9 | 0 | 0 | 0 | 108.7 | ||
| 420 | D | 23.5 | Very low | 24.1 | Very low | 81 Ų | 81 | 150.4 Ų | 150.4 | 43% | 0.433 | 69% | 0.691 | S | S | . | * | trans | 59.7 | 111.4 | 143 | -40.2 | -27.8 | 0 | 0 | 0 | 120.6 | D422 I1721 | D420-D422 PolarHBondContact O-N 3.5Å; D420-I1721 VanDerWaalsContact OD1-CD1 3.24Å; D420-I1721 WeakPolarHBondContact OD1-CD1 3.34Å; D420-I1721 WeakPolarHBondContact OD2-CD1 3.1Å; D420-I1721 WeakPolarHBondContact OD2-CG1 3.28Å; D420-I1721 WeakPolarHBondContact OD2-CG2 3.49Å | ||
| 421 | V | 23.5 | Very low | 23.9 | Very low | 131 Ų | 131 | 154.7 Ų | 154.7 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | 15 | 92 | 108 | -170.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 422 | D | 23 | Very low | 23.7 | Very low | 138 Ų | 138 | 155.2 Ų | 155.2 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | -170.5 | 135.8 | 101.4 | -110.7 | -31.9 | 0 | 0 | 0 | 112.7 | D420 | D420-D422 PolarHBondContact O-N 3.5Š| |||
| 423 | H | 22.8 | Very low | 23.5 | Very low | 189 Ų | 189 | 156.9 Ų | 156.9 | 88% | 0.875 | 73% | 0.727 | S | S | * | * | trans | -140.2 | 89.5 | 176.4 | -118.6 | 7.3 | 0 | 0 | 0 | 111.7 | ||||
| 424 | T | 23.8 | Very low | 23.3 | Very low | 125 Ų | 125 | 156.4 Ų | 156.4 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | trans | -126.4 | 99.9 | 159.5 | 46.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 425 | N | 24.5 | Very low | 23.1 | Very low | 134 Ų | 134 | 159.4 Ų | 159.4 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 59.9 | 121 | 146.1 | -61.1 | -20 | 0 | 0 | 0 | 121.9 | ||||
| 426 | N | 24 | Very low | 23.1 | Very low | 128 Ų | 128 | 156.9 Ų | 156.9 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | 66.5 | 110.1 | 135.9 | -54.3 | -18.2 | 0 | 0 | 0 | 120 | ||||
| 427 | H | 26.2 | Very low | 23 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 88% | 0.875 | 75% | 0.754 | S | S | * | * | -171.9 | 168.6 | 88.5 | -103.3 | -74.5 | 0 | 0 | 0 | 113.5 | |||||
| 428 | H | 22.3 | Very low | 22.9 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | -114.4 | 150.7 | -173.9 | -112.6 | -27.9 | 0 | 0 | 0 | 112.5 | ||||
| 429 | R | 23.1 | Very low | 23 | Very low | 202 Ų | 202 | 150 Ų | 150 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 82.1 | 136.2 | 148.5 | -78 | -177.1 | 176 | -165.8 | 0.4 | 122.7 | ||||
| 430 | Q | 22.6 | Very low | 23 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 59% | 0.593 | 75% | 0.753 | S | S | * | * | trans | 73.4 | 147.3 | 146.8 | -66.4 | 165 | -36.2 | 0 | 0 | 116.7 | Y432 | Q430-Y432 HydrophobicContact CG-CD2 4.03Å; Q430-Y432 HydrophobicContact CG-CE2 4.47Å | ||
| 431 | F | 23.8 | Very low | 22.9 | Very low | 206 Ų | 206 | 152.5 Ų | 152.5 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | cis | -115.4 | 156.1 | 23.6 | -70.3 | -106.9 | 0 | 0 | 0 | 113.3 | ||||
| 432 | Y | 23 | Very low | 22.8 | Very low | 187 Ų | 187 | 155.5 Ų | 155.5 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | cis | 96.6 | 136.9 | 32.5 | -107.1 | -89 | 0 | 0 | 0 | 116.6 | Q430 | Q430-Y432 HydrophobicContact CG-CD2 4.03Å; Q430-Y432 HydrophobicContact CG-CE2 4.47Å | ||
| 433 | N | 20.6 | Very low | 22.8 | Very low | 143 Ų | 143 | 153.8 Ų | 153.8 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -68.6 | 158.5 | -174.3 | -64.2 | -33.5 | 0 | 0 | 0 | 113.3 | ||||
| 434 | N | 22.3 | Very low | 22.7 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | -149 | 150.9 | 123.7 | -124.6 | -10 | 0 | 0 | 0 | 112.4 | |||||
| 435 | N | 21 | Very low | 22.7 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -148.3 | 125.9 | -180 | -127.1 | -0.9 | 0 | 0 | 0 | 108 | ||||
| 436 | N | 23 | Very low | 22.7 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -175 | 115 | 160.2 | -92.8 | -11.2 | 0 | 0 | 0 | 105 | ||||
| 437 | S | 21.5 | Very low | 22.6 | Very low | 86 Ų | 86 | 154.3 Ų | 154.3 | 60% | 0.601 | 79% | 0.785 | S | S | * | * | 65.1 | 123.2 | 72 | 77.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 438 | N | 21.5 | Very low | 22.5 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | cis | -150.6 | 165.2 | -2.7 | -84.1 | -29.8 | 0 | 0 | 0 | 107.4 | ||||
| 439 | D | 24.2 | Very low | 22.7 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | -158.7 | 159.4 | 121.4 | -127 | -30.8 | 0 | 0 | 0 | 113.7 | |||||
| 440 | N | 21.9 | Very low | 22.9 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | trans | -98.4 | 132.6 | -174.5 | -62.9 | -77 | 0 | 0 | 0 | 112.1 | ||||
| 441 | N | 21.6 | Very low | 23.1 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | 172.1 | 151.5 | 114.6 | -96.1 | -62.9 | 0 | 0 | 0 | 115.6 | |||||
| 442 | K | 23 | Very low | 23.4 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | 76.5 | 147.1 | 161.1 | -69.9 | 171.9 | -178.4 | 175.9 | 0 | 120.6 | ||||
| 443 | S | 21.4 | Very low | 23.9 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | 64.3 | 95 | 164.9 | 44.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 444 | N | 21.7 | Very low | 24.7 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | 42.3 | 111 | 116.5 | -52 | 2.5 | 0 | 0 | 0 | 119.1 | |||||
| 445 | V | 24.3 | Very low | 25.3 | Very low | 143 Ų | 143 | 135 Ų | 135 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | -156.5 | 152.9 | 98.9 | 144.9 | 0 | 0 | 0 | 0 | 108.2 | M447 | V445-M447 PolarHBondContact O-N 3.48Š| |||
| 446 | S | 23.6 | Very low | 26.3 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | trans | -65.4 | 126.5 | -168.6 | 46.7 | 0 | 0 | 0 | 0 | 114.8 | D448 | S446-D448 PolarHBondContact O-N 3.44Å; S446-D448 VanDerWaalsContact O-N 3.15Å | ||
| 447 | M | 21.9 | Very low | 27.5 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 95% | 0.946 | 73% | 0.729 | S | S | * | * | trans | -72.1 | 94.7 | 153.9 | -86.4 | -160.7 | 177.5 | 0 | 0 | 109.3 | V445 | V445-M447 PolarHBondContact O-N 3.48Š| ||
| 448 | D | 24.6 | Very low | 29 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | -153.8 | 83.5 | 160.6 | -120.5 | -30 | 0 | 0 | 0 | 112 | S446 | S446-D448 PolarHBondContact O-N 3.44Å; S446-D448 VanDerWaalsContact O-N 3.15Å | ||
| 449 | N | 25.6 | Very low | 30.6 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 47% | 0.471 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -178.9 | 40.5 | 161 | -111.2 | -76.6 | 0 | 0 | 0 | 113.1 | R1737 | N449-R1737 PolarHBondContact O-NH1 2.89Å; N449-R1737 PolarHBondContact OD1-NE 3.18Å; N449-R1737 PolarHBondContact OD1-NH1 3.29Å |
| 450 | G | 27.5 | Very low | 32.1 | Very low | 74 Ų | 74 | 117 Ų | 117 | 76% | 0.763 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -105.9 | -25.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 451 | I | 27.6 | Very low | 33.7 | Very low | 138 Ų | 138 | 112.7 Ų | 112.7 | 71% | 0.708 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -106.4 | -29.2 | -151.3 | -65.4 | 171.8 | 0 | 0 | 0 | 114.4 | K453 | I451-K453 PolarHBondContact O-N 2.88Š|
| 452 | G | 28.7 | Very low | 35.7 | Very low | 81 Ų | 81 | 105.7 Ų | 105.7 | 84% | 0.835 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 40.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 453 | K | 34.8 | Very low | 37.6 | Very low | 180 Ų | 180 | 96.6 Ų | 96.6 | 78% | 0.783 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | -5.6 | 173.3 | -83.6 | -161.7 | 171.4 | -168.3 | 0 | 115.6 | I451 | I451-K453 PolarHBondContact O-N 2.88Š|
| 454 | K | 36 | Very low | 39.6 | Very low | 190 Ų | 190 | 94.2 Ų | 94.2 | 83% | 0.826 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -89.9 | -3.9 | -166.3 | -93.1 | -171.6 | 172.4 | -174.8 | 0 | 117.6 | ||
| 455 | L | 35.3 | Very low | 41.5 | Very low | 98 Ų | 98 | 87.4 Ų | 87.4 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -118.3 | 0.3 | -178.1 | -108.1 | 157 | 0 | 0 | 0 | 113.9 | T384 L457 | T384-L455 HydrophobicContact CG2-CB 3.69Å; T384-L455 WeakPolarHBondContact CG2-O 3.28Å; L455-L457 PolarHBondContact O-N 3.46Å |
| 456 | L | 42.9 | Very low | 43.5 | Very low | 80 Ų | 80 | 80.7 Ų | 80.7 | 42% | 0.419 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 17.8 | -176.3 | -145.7 | 97.2 | 0 | 0 | 0 | 114.8 | I381 P460 L509 | I381-L456 HydrophobicContact CG2-CD1 3.79Å; L456-P460 WeakPolarHBondContact O-CD 3.42Å; L456-L509 HydrophobicContact CD2-CD2 3.91Å |
| 457 | L | 48.7 | Very low | 45.4 | Very low | 131 Ų | 131 | 76.2 Ų | 76.2 | 69% | 0.686 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -18.5 | -160.7 | -67.3 | 171.5 | 0 | 0 | 0 | 114.7 | L455 L461 | L455-L457 PolarHBondContact O-N 3.46Å; L457-L461 WeakPolarHBondContact O-CB 3.27Å; L457-L461 PolarHBondContact O-N 2.83Å |
| 458 | L | 52.6 | Low | 47.4 | Very low | 54 Ų | 54 | 70.1 Ų | 70.1 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.8 | -41.2 | -175.3 | -82.3 | 166.5 | 0 | 0 | 0 | 113.3 | L461 I462 | L458-L461 WeakPolarHBondContact O-CB 3.44Å; L458-L461 PolarHBondContact O-N 3.36Å; L458-I462 VanDerWaalsContact O-CG1 3.32Å; L458-I462 WeakPolarHBondContact O-CG1 3.01Å; L458-I462 PolarHBondContact O-N 3.07Å |
| 459 | F | 53.7 | Low | 49.1 | Very low | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.1 | -47 | -176.7 | -170.7 | -94.8 | 0 | 0 | 0 | 113.6 | V373 L377 L380 L461 I462 G463 V500 L509 | V373-F459 HydrophobicContact CG1-CE2 4.13Å; V373-F459 HydrophobicContact CG1-CZ 4.38Å; V373-F459 HydrophobicContact CG2-CE2 4.29Å; L377-F459 HydrophobicContact CD1-CD2 3.92Å; L377-F459 HydrophobicContact CD1-CE1 4.27Å; L377-F459 HydrophobicContact CD1-CE2 3.26Å; L377-F459 HydrophobicContact CD1-CZ 3.47Å; L377-F459 VanDerWaalsContact CD1-CZ 3.47Å; L380-F459 HydrophobicContact CD1-CD2 4.43Å; F459-L461 PolarHBondContact O-N 2.98Å; F459-I462 PolarHBondContact O-N 3.46Å; F459-I462 VanDerWaalsContact O-N 3.15Å; F459-G463 PolarHBondContact O-N 3.36Å; F459-V500 HydrophobicContact CE1-CG1 4.31Å; F459-V500 HydrophobicContact CZ-CG1 3.97Å; F459-V500 HydrophobicContact CZ-CG2 4.1Å; F459-L509 HydrophobicContact CD1-CB 3.96Å; F459-L509 HydrophobicContact CE1-CB 4.2Å |
| 460 | P | 56.8 | Low | 50.8 | Low | 39 Ų | 39 | 59.4 Ų | 59.4 | 25% | 0.253 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.6 | -34.8 | 172.6 | -25.1 | 35.6 | 0 | 0 | 0 | 112.7 | L456 Q464 | L456-P460 WeakPolarHBondContact O-CD 3.42Å; P460-Q464 WeakPolarHBondContact O-CB 3.31Å; P460-Q464 PolarHBondContact O-N 3.32Å |
| 461 | L | 56.2 | Low | 52.3 | Low | 37 Ų | 37 | 56.8 Ų | 56.8 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 174.9 | -168.3 | 78.2 | 0 | 0 | 0 | 111.5 | Y403 L457 L458 F459 Q464 I465 | Y403-L461 WeakPolarHBondContact OH-CD1 3.38Å; L457-L461 WeakPolarHBondContact O-CB 3.27Å; L457-L461 PolarHBondContact O-N 2.83Å; L458-L461 WeakPolarHBondContact O-CB 3.44Å; L458-L461 PolarHBondContact O-N 3.36Å; F459-L461 PolarHBondContact O-N 2.98Å; L461-Q464 PolarHBondContact O-N 3.05Å; L461-I465 HydrophobicContact CD2-CD1 4.29Å; L461-I465 HydrophobicContact CG-CD1 3.87Å; L461-I465 WeakPolarHBondContact O-CB 3.26Å; L461-I465 WeakPolarHBondContact O-CD1 3.3Å; L461-I465 WeakPolarHBondContact O-CG1 3.31Å; L461-I465 PolarHBondContact O-N 3.03Å |
| 462 | I | 62.7 | Low | 53.5 | Low | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 178.5 | -65.5 | 162.4 | 0 | 0 | 0 | 110.9 | I289 L372 V373 L380 L458 F459 Q464 I465 I466 | I289-I462 HydrophobicContact CG2-CD1 4.12Å; I289-I462 HydrophobicContact CG2-CG1 4.16Å; L372-I462 HydrophobicContact CD2-CD1 4.46Å; V373-I462 HydrophobicContact CG2-CG2 3.51Å; L380-I462 HydrophobicContact CD1-CD1 4.19Å; L380-I462 HydrophobicContact CD2-CD1 4.37Å; L458-I462 VanDerWaalsContact O-CG1 3.32Å; L458-I462 WeakPolarHBondContact O-CG1 3.01Å; L458-I462 PolarHBondContact O-N 3.07Å; F459-I462 PolarHBondContact O-N 3.46Å; F459-I462 VanDerWaalsContact O-N 3.15Å; I462-Q464 VanDerWaalsContact C-N 3.33Å; I462-Q464 PolarHBondContact O-N 3.4Å; I462-I465 PolarHBondContact O-N 3.3Å; I462-I466 HydrophobicContact CG2-CD1 3.91Å; I462-I466 HydrophobicContact CG2-CG1 4.49Å; I462-I466 WeakPolarHBondContact O-CG1 3.39Å; I462-I466 PolarHBondContact O-N 3.29Å |
| 463 | G | 62.3 | Low | 54.6 | Low | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F459 I466 I467 | F459-G463 PolarHBondContact O-N 3.36Å; G463-I466 PolarHBondContact O-N 3.26Å; G463-I467 WeakPolarHBondContact O-CB 3.32Å; G463-I467 WeakPolarHBondContact O-CG1 3.49Å; G463-I467 PolarHBondContact O-N 2.94Å |
| 464 | Q | 63.5 | Low | 55.5 | Low | 54 Ų | 54 | 40.4 Ų | 40.4 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 173.6 | -179.3 | 164.2 | -20 | 0 | 0 | 112.4 | P460 L461 I462 Q468 L514 | P460-Q464 WeakPolarHBondContact O-CB 3.31Å; P460-Q464 PolarHBondContact O-N 3.32Å; L461-Q464 PolarHBondContact O-N 3.05Å; I462-Q464 VanDerWaalsContact C-N 3.33Å; I462-Q464 PolarHBondContact O-N 3.4Å; Q464-Q468 WeakPolarHBondContact O-CB 2.98Å; Q464-Q468 PolarHBondContact O-N 2.84Å; Q464-L514 HydrophobicContact CB-CD2 3.88Å; Q464-L514 HydrophobicContact CG-CD2 4.08Å |
| 465 | I | 62.3 | Low | 56 | Low | 14 Ų | 14 | 32.8 Ų | 32.8 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 175.6 | -72.6 | 159.2 | 0 | 0 | 0 | 110.3 | A293 L297 L369 L461 I462 Q468 A469 | A293-I465 HydrophobicContact CB-CD1 3.98Å; A293-I465 HydrophobicContact CB-CG2 4.07Å; L297-I465 HydrophobicContact CD1-CG1 4.27Å; L297-I465 HydrophobicContact CD2-CG1 4.29Å; L297-I465 HydrophobicContact CD2-CG2 4.48Å; L369-I465 HydrophobicContact CD1-CG2 4.43Å; L461-I465 HydrophobicContact CD2-CD1 4.29Å; L461-I465 HydrophobicContact CG-CD1 3.87Å; L461-I465 WeakPolarHBondContact O-CB 3.26Å; L461-I465 WeakPolarHBondContact O-CD1 3.3Å; L461-I465 WeakPolarHBondContact O-CG1 3.31Å; L461-I465 PolarHBondContact O-N 3.03Å; I462-I465 PolarHBondContact O-N 3.3Å; I465-Q468 PolarHBondContact O-N 2.91Å; I465-A469 WeakPolarHBondContact O-CB 3.3Å; I465-A469 PolarHBondContact O-N 2.87Å |
| 466 | I | 65.4 | Low | 56.2 | Low | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -50 | 179 | -71.9 | 170.6 | 0 | 0 | 0 | 110.6 | L369 V373 I462 G463 A469 L470 V493 L497 | L369-I466 HydrophobicContact CB-CD1 4.4Å; L369-I466 HydrophobicContact CB-CG1 4.42Å; V373-I466 HydrophobicContact CG2-CD1 3.72Å; I462-I466 HydrophobicContact CG2-CD1 3.91Å; I462-I466 HydrophobicContact CG2-CG1 4.49Å; I462-I466 WeakPolarHBondContact O-CG1 3.39Å; I462-I466 PolarHBondContact O-N 3.29Å; G463-I466 PolarHBondContact O-N 3.26Å; I466-A469 PolarHBondContact O-N 3.2Å; I466-L470 HydrophobicContact CG2-CD1 4.32Å; I466-L470 WeakPolarHBondContact O-CB 3.48Å; I466-L470 WeakPolarHBondContact O-CG 3.35Å; I466-L470 PolarHBondContact O-N 3.16Å; I466-V493 HydrophobicContact CG2-CG1 3.47Å; I466-V493 VanDerWaalsContact CG2-CG1 3.47Å; I466-L497 HydrophobicContact CG2-CD1 4.47Å; I466-L497 HydrophobicContact CG2-CD2 4.43Å |
| 467 | I | 64.9 | Low | 56.1 | Low | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67 | -40 | 179.9 | -67.7 | 166.9 | 0 | 0 | 0 | 111.2 | G463 A469 M471 L497 L510 L514 K517 F518 | G463-I467 WeakPolarHBondContact O-CB 3.32Å; G463-I467 WeakPolarHBondContact O-CG1 3.49Å; G463-I467 PolarHBondContact O-N 2.94Å; I467-A469 VanDerWaalsContact C-N 3.35Å; I467-A469 PolarHBondContact O-N 2.92Å; I467-M471 WeakPolarHBondContact O-CB 3.1Å; I467-M471 WeakPolarHBondContact O-CG 3.45Å; I467-M471 PolarHBondContact O-N 3.32Å; I467-M471 VanDerWaalsContact O-N 3.12Å; I467-L497 HydrophobicContact CD1-CD1 4.34Å; I467-L497 HydrophobicContact CG1-CD1 3.93Å; I467-L510 HydrophobicContact CD1-CD2 4.38Å; I467-L514 HydrophobicContact CD1-CB 3.87Å; I467-K517 HydrophobicContact CG2-CB 4.34Å; I467-K517 HydrophobicContact CG2-CD 4.04Å; I467-F518 HydrophobicContact CD1-CE2 4.49Å; I467-F518 HydrophobicContact CG1-CE2 4.3Å; I467-F518 HydrophobicContact CG1-CZ 4.19Å; I467-F518 HydrophobicContact CG2-CE2 4.25Å; I467-F518 HydrophobicContact CG2-CZ 4.01Å |
| 468 | Q | 63.2 | Low | 55.4 | Low | 63 Ų | 63 | 27.8 Ų | 27.8 | 29% | 0.294 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 177.1 | -164 | 71.7 | 31.7 | 0 | 0 | 111.5 | Q464 I465 M471 T472 K517 | Q464-Q468 WeakPolarHBondContact O-CB 2.98Å; Q464-Q468 PolarHBondContact O-N 2.84Å; I465-Q468 PolarHBondContact O-N 2.91Å; Q468-M471 PolarHBondContact O-N 3.17Å; Q468-T472 WeakPolarHBondContact O-CG2 3.47Å; Q468-T472 PolarHBondContact O-N 3.33Å; Q468-T472 VanDerWaalsContact O-N 3.14Å; Q468-T472 PolarHBondContact O-OG1 3.4Å; Q468-K517 VanDerWaalsContact OE1-NZ 3.13Å |
| 469 | A | 59.7 | Low | 54.5 | Low | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.3 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C296 L366 I465 I466 I467 M471 T472 T473 | C296-A469 HydrophobicContact CB-CB 3.98Å; L366-A469 HydrophobicContact CD2-CB 3.7Å; I465-A469 WeakPolarHBondContact O-CB 3.3Å; I465-A469 PolarHBondContact O-N 2.87Å; I466-A469 PolarHBondContact O-N 3.2Å; I467-A469 VanDerWaalsContact C-N 3.35Å; I467-A469 PolarHBondContact O-N 2.92Å; A469-M471 PolarHBondContact O-N 2.91Å; A469-T472 PolarHBondContact O-N 3.44Å; A469-T472 PolarHBondContact O-OG1 2.95Å; A469-T473 HydrophobicContact CB-CG2 4.29Å; A469-T473 PolarHBondContact O-N 3.3Å; A469-T473 PolarHBondContact O-OG1 2.85Å |
| 470 | L | 61.9 | Low | 53.4 | Low | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -50.2 | -43.1 | 168.5 | -81 | 175.8 | 0 | 0 | 0 | 111.3 | I466 F474 V493 I494 L497 F518 | I466-L470 HydrophobicContact CG2-CD1 4.32Å; I466-L470 WeakPolarHBondContact O-CB 3.48Å; I466-L470 WeakPolarHBondContact O-CG 3.35Å; I466-L470 PolarHBondContact O-N 3.16Å; L470-F474 HydrophobicContact CD2-CD2 4.15Å; L470-F474 HydrophobicContact CD2-CE2 3.85Å; L470-V493 HydrophobicContact CD1-CG1 3.99Å; L470-V493 HydrophobicContact CD2-CB 4.05Å; L470-V493 HydrophobicContact CD2-CG1 3.81Å; L470-V493 HydrophobicContact CG-CG1 3.93Å; L470-I494 HydrophobicContact CD1-CG1 3.94Å; L470-L497 HydrophobicContact CD1-CD1 4.32Å; L470-F518 HydrophobicContact CD1-CZ 4.16Å |
| 471 | M | 59.1 | Low | 51.9 | Low | 19 Ų | 19 | 41.9 Ų | 41.9 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -77.7 | -14.5 | -178.6 | -67.8 | -64.3 | -108.9 | 0 | 0 | 114.4 | I467 Q468 A469 V475 K517 F518 F542 | I467-M471 WeakPolarHBondContact O-CB 3.1Å; I467-M471 WeakPolarHBondContact O-CG 3.45Å; I467-M471 PolarHBondContact O-N 3.32Å; I467-M471 VanDerWaalsContact O-N 3.12Å; Q468-M471 PolarHBondContact O-N 3.17Å; A469-M471 PolarHBondContact O-N 2.91Å; M471-V475 WeakPolarHBondContact O-CG2 3.05Å; M471-K517 VanDerWaalsContact CE-O 3.23Å; M471-K517 WeakPolarHBondContact CE-O 3.43Å; M471-F518 HydrophobicContact CE-CD1 4.07Å; M471-F518 HydrophobicContact CG-CE1 4.4Å; M471-F518 HydrophobicContact SD-CD1 3.89Å; M471-F518 HydrophobicContact SD-CE1 4.01Å; M471-F542 HydrophobicContact CB-CE2 3.93Å; M471-F542 HydrophobicContact CE-CE2 3.85Å; M471-F542 HydrophobicContact CE-CZ 3.67Å; M471-F542 HydrophobicContact CG-CE2 4.32Å; M471-F542 VanDerWaalsContact O-CE2 3.3Å; M471-F542 WeakPolarHBondContact O-CE2 3.34Å; M471-F542 HydrophobicContact SD-CD2 4.5Å; M471-F542 HydrophobicContact SD-CE2 3.59Å; M471-F542 VanDerWaalsContact SD-CE2 3.59Å; M471-F542 HydrophobicContact SD-CZ 4.08Å |
| 472 | T | 53.4 | Low | 50.6 | Low | 22 Ų | 22 | 47.6 Ų | 47.6 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -113.1 | -44.6 | 179.8 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | H300 Q468 A469 V475 | H300-T472 HydrophobicContact CB-CG2 4.46Å; Q468-T472 WeakPolarHBondContact O-CG2 3.47Å; Q468-T472 PolarHBondContact O-N 3.33Å; Q468-T472 VanDerWaalsContact O-N 3.14Å; Q468-T472 PolarHBondContact O-OG1 3.4Å; A469-T472 PolarHBondContact O-N 3.44Å; A469-T472 PolarHBondContact O-OG1 2.95Å; T472-V475 PolarHBondContact O-N 3.4Å |
| 473 | T | 51.9 | Low | 49.2 | Very low | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -74.6 | -31.8 | -170.9 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | I362 A469 V475 | I362-T473 HydrophobicContact CG2-CG2 3.75Å; A469-T473 HydrophobicContact CB-CG2 4.29Å; A469-T473 PolarHBondContact O-N 3.3Å; A469-T473 PolarHBondContact O-OG1 2.85Å; T473-V475 VanDerWaalsContact C-N 3.28Å; T473-V475 PolarHBondContact O-N 3.44Å |
| 474 | F | 52.7 | Low | 48.1 | Very low | 16 Ų | 16 | 58 Ų | 58 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -11.1 | 178.3 | -76 | -81.5 | 0 | 0 | 0 | 114 | L366 L470 S486 I489 H490 | L366-F474 HydrophobicContact CD1-CE2 4.4Å; L470-F474 HydrophobicContact CD2-CD2 4.15Å; L470-F474 HydrophobicContact CD2-CE2 3.85Å; F474-S486 WeakPolarHBondContact CD1-OG 3.26Å; F474-S486 WeakPolarHBondContact CE1-O 3.44Å; F474-I489 HydrophobicContact CZ-CB 4.15Å; F474-I489 HydrophobicContact CZ-CG2 3.99Å; F474-H490 HydrophobicContact CD1-CB 4.36Å; F474-H490 HydrophobicContact CE1-CB 3.94Å; F474-H490 HydrophobicContact CE2-CB 4.41Å; F474-H490 HydrophobicContact CZ-CB 3.96Å |
| 475 | V | 46.2 | Very low | 47.5 | Very low | 30 Ų | 30 | 61 Ų | 61 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -36 | 176.4 | -177 | 0 | 0 | 0 | 0 | 111 | M471 T472 T473 N477 Y539 S541 F542 | M471-V475 WeakPolarHBondContact O-CG2 3.05Å; T472-V475 PolarHBondContact O-N 3.4Å; T473-V475 VanDerWaalsContact C-N 3.28Å; T473-V475 PolarHBondContact O-N 3.44Å; V475-N477 PolarHBondContact O-N 3.42Å; V475-Y539 HydrophobicContact CG1-CG 4.06Å; V475-Y539 VanDerWaalsContact O-CD1 3.27Å; V475-Y539 WeakPolarHBondContact O-CD1 3.16Å; V475-S541 WeakPolarHBondContact CA-OG 3.41Å; V475-S541 PolarHBondContact O-OG 3.4Å; V475-F542 HydrophobicContact CG2-CB 4.12Å; V475-F542 HydrophobicContact CG2-CD2 3.76Å; V475-F542 HydrophobicContact CG2-CG 4.34Å |
| 476 | C | 40.3 | Very low | 47.3 | Very low | 47 Ų | 47 | 61.6 Ų | 61.6 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 3.4 | -170.1 | -58.9 | 0 | 0 | 0 | 0 | 116.7 | N478 | C476-N478 PolarHBondContact O-N 2.86Š|
| 477 | N | 40.6 | Very low | 47.2 | Very low | 68 Ų | 68 | 63.1 Ų | 63.1 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | trans | -73.5 | 90.5 | 177.4 | -86.1 | 12.5 | 0 | 0 | 0 | 110.9 | V475 S486 | V475-N477 PolarHBondContact O-N 3.42Å; N477-S486 WeakPolarHBondContact ND2-CB 3.49Å; N477-S486 PolarHBondContact ND2-OG 3.19Å | ||
| 478 | N | 34.4 | Very low | 47.2 | Very low | 90 Ų | 90 | 68.9 Ų | 68.9 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | trans | -55.6 | 151.4 | 172 | -95.3 | -41.7 | 0 | 0 | 0 | 112.7 | C476 T480 Y539 | C476-N478 PolarHBondContact O-N 2.86Å; N478-T480 PolarHBondContact O-N 3.28Å; N478-Y539 PolarHBondContact OD1-OH 2.81Å | ||
| 479 | S | 33.7 | Very low | 47.5 | Very low | 122 Ų | 122 | 67 Ų | 67 | 85% | 0.853 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -69.8 | 13.7 | -173 | 49.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 480 | T | 29.5 | Very low | 48.1 | Very low | 111 Ų | 111 | 67.6 Ų | 67.6 | 68% | 0.681 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -133.2 | 38.3 | -164.3 | 53.4 | 0 | 0 | 0 | 0 | 115 | N478 | N478-T480 PolarHBondContact O-N 3.28Š|
| 481 | M | 26.4 | Very low | 48.5 | Very low | 161 Ų | 161 | 67.9 Ų | 67.9 | 79% | 0.793 | 36% | 0.358 | S | S | * | . | trans | -162.7 | 123.9 | 153.6 | -103 | -53.6 | 148.9 | 0 | 0 | 112.7 | T483 | M481-T483 PolarHBondContact O-N 2.9Š| ||
| 482 | H | 28.8 | Very low | 49.2 | Very low | 158 Ų | 158 | 67.8 Ų | 67.8 | 73% | 0.731 | 36% | 0.36 | S | S | * | . | trans | -75.3 | 88 | 173.9 | -75.6 | -90 | 0 | 0 | 0 | 111.7 | Y484 | H482-Y484 HydrophobicContact CB-CE2 4.36Å; H482-Y484 AromaticContact ND1-CZ 3.93Å; H482-Y484 PolarHBondContact ND1-OH 3.25Å | ||
| 483 | T | 32.2 | Very low | 50.2 | Low | 95 Ų | 95 | 66.8 Ų | 66.8 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | trans | -128 | 109.8 | 170.8 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | M481 H485 | M481-T483 PolarHBondContact O-N 2.9Å; T483-H485 VanDerWaalsContact C-N 3.28Å; T483-H485 PolarHBondContact O-N 3.24Å | ||
| 484 | Y | 40.8 | Very low | 51.4 | Low | 130 Ų | 130 | 66 Ų | 66 | 51% | 0.51 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 32.7 | -160.9 | -68.7 | -76.8 | 0 | 0 | 0 | 116.1 | H482 L1451 | H482-Y484 HydrophobicContact CB-CE2 4.36Å; H482-Y484 AromaticContact ND1-CZ 3.93Å; H482-Y484 PolarHBondContact ND1-OH 3.25Å; Y484-L1451 HydrophobicContact CD1-CD1 3.52Å; Y484-L1451 HydrophobicContact CD2-CD1 3.95Å; Y484-L1451 HydrophobicContact CD2-CD2 4.44Å; Y484-L1451 HydrophobicContact CE1-CD1 3.52Å; Y484-L1451 HydrophobicContact CE2-CD1 3.94Å; Y484-L1451 HydrophobicContact CE2-CD2 3.9Å; Y484-L1451 HydrophobicContact CE2-CG 4.43Å; Y484-L1451 HydrophobicContact CG-CD1 3.73Å |
| 485 | H | 50.4 | Low | 52.6 | Low | 117 Ų | 117 | 68.1 Ų | 68.1 | 54% | 0.542 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -5.5 | -174.6 | -74.5 | -89.2 | 0 | 0 | 0 | 115.5 | T483 I489 | T483-H485 VanDerWaalsContact C-N 3.28Å; T483-H485 PolarHBondContact O-N 3.24Å; H485-I489 WeakPolarHBondContact O-CG1 3.43Å |
| 486 | S | 58.2 | Low | 54 | Low | 25 Ų | 25 | 66.7 Ų | 66.7 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.1 | -49.4 | -174.5 | -165.8 | 0 | 0 | 0 | 0 | 113.2 | F474 N477 R488 I489 H490 | F474-S486 WeakPolarHBondContact CD1-OG 3.26Å; F474-S486 WeakPolarHBondContact CE1-O 3.44Å; N477-S486 WeakPolarHBondContact ND2-CB 3.49Å; N477-S486 PolarHBondContact ND2-OG 3.19Å; S486-R488 PolarHBondContact O-N 3.36Å; S486-I489 PolarHBondContact O-N 3.46Å; S486-H490 PolarHBondContact O-N 2.98Å |
| 487 | S | 63.3 | Low | 55.6 | Low | 34 Ų | 34 | 65 Ų | 65 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | -175 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | I489 H490 E491 Y1446 | S487-I489 PolarHBondContact O-N 2.95Å; S487-H490 WeakPolarHBondContact O-CB 3.46Å; S487-H490 PolarHBondContact O-N 2.97Å; S487-E491 WeakPolarHBondContact O-CB 3.4Å; S487-E491 PolarHBondContact O-N 3.27Å; S487-Y1446 VanDerWaalsContact CB-CD2 3.49Å; S487-Y1446 WeakPolarHBondContact OG-CD2 3.35Å; S487-Y1446 VanDerWaalsContact OG-CG 3.3Å |
| 488 | R | 65.3 | Low | 57.4 | Low | 122 Ų | 122 | 62.4 Ų | 62.4 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.2 | -34.2 | -180 | -73.5 | -175.8 | 174.8 | 162.8 | 3.4 | 113.6 | S486 A492 Y1446 | S486-R488 PolarHBondContact O-N 3.36Å; R488-A492 WeakPolarHBondContact O-CB 3.39Å; R488-A492 PolarHBondContact O-N 3.26Å; R488-Y1446 VanDerWaalsContact CZ-O 3.27Å; R488-Y1446 PolarHBondContact NE-O 2.99Å; R488-Y1446 PolarHBondContact NH2-O 3.07Å |
| 489 | I | 68.5 | Low | 59.4 | Low | 22 Ų | 22 | 60.3 Ų | 60.3 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.9 | -42.5 | 179.4 | -59.4 | 170.5 | 0 | 0 | 0 | 109.4 | R363 L367 F474 H485 S486 S487 E491 A492 V493 | R363-I489 HydrophobicContact CB-CD1 4.13Å; R363-I489 HydrophobicContact CG-CD1 3.95Å; L367-I489 HydrophobicContact CD2-CG2 4.2Å; L367-I489 HydrophobicContact CG-CG2 4.28Å; F474-I489 HydrophobicContact CZ-CB 4.15Å; F474-I489 HydrophobicContact CZ-CG2 3.99Å; H485-I489 WeakPolarHBondContact O-CG1 3.43Å; S486-I489 PolarHBondContact O-N 3.46Å; S487-I489 PolarHBondContact O-N 2.95Å; I489-E491 VanDerWaalsContact C-N 3.34Å; I489-E491 PolarHBondContact O-N 2.86Å; I489-A492 PolarHBondContact O-N 3.2Å; I489-V493 VanDerWaalsContact O-CG2 3.29Å; I489-V493 WeakPolarHBondContact O-CG2 3.38Å; I489-V493 PolarHBondContact O-N 2.98Å |
| 490 | H | 71.7 | Confident | 61.3 | Low | 13 Ų | 13 | 54.6 Ų | 54.6 | 6% | 0.06 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 170.8 | 177.8 | -91.4 | 0 | 0 | 0 | 111.9 | F474 S486 S487 V493 I494 C545 S549 | F474-H490 HydrophobicContact CD1-CB 4.36Å; F474-H490 HydrophobicContact CE1-CB 3.94Å; F474-H490 HydrophobicContact CE2-CB 4.41Å; F474-H490 HydrophobicContact CZ-CB 3.96Å; S486-H490 PolarHBondContact O-N 2.98Å; S487-H490 WeakPolarHBondContact O-CB 3.46Å; S487-H490 PolarHBondContact O-N 2.97Å; H490-V493 PolarHBondContact O-N 3.03Å; H490-I494 WeakPolarHBondContact CE1-CD1 3.4Å; H490-I494 WeakPolarHBondContact O-CG1 3.44Å; H490-I494 PolarHBondContact O-N 3.38Å; H490-C545 PolarHBondContact CD2-SG 3.01Å; H490-C545 PolarHBondContact NE2-SG 3.04Å; H490-S549 PolarHBondContact CE1-OG 2.96Å; H490-S549 VanDerWaalsContact CE1-OG 3.24Å; H490-S549 PolarHBondContact NE2-OG 3.45Å; H490-S549 VanDerWaalsContact NE2-OG 3.1Å |
| 491 | E | 71 | Confident | 63.5 | Low | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 176.6 | -172.2 | 160.7 | -113.2 | 0 | 0 | 111.9 | S487 I489 V493 I494 L495 L552 V1444 T1445 Y1446 | S487-E491 WeakPolarHBondContact O-CB 3.4Å; S487-E491 PolarHBondContact O-N 3.27Å; I489-E491 VanDerWaalsContact C-N 3.34Å; I489-E491 PolarHBondContact O-N 2.86Å; E491-V493 PolarHBondContact O-N 3.46Å; E491-I494 PolarHBondContact O-N 3.17Å; E491-L495 HydrophobicContact CG-CD1 4.37Å; E491-L495 WeakPolarHBondContact O-CB 3.27Å; E491-L495 VanDerWaalsContact O-CG 3.28Å; E491-L495 WeakPolarHBondContact O-CG 3.36Å; E491-L495 PolarHBondContact O-N 3.06Å; E491-L552 HydrophobicContact CG-CD1 4.01Å; E491-L552 HydrophobicContact CG-CD2 4.04Å; E491-V1444 HydrophobicContact CG-CG1 4.17Å; E491-V1444 WeakPolarHBondContact OE2-CG1 3.49Å; E491-T1445 PolarHBondContact OE1-N 3.14Å; E491-T1445 PolarHBondContact OE1-OG1 3.01Å; E491-Y1446 PolarHBondContact OE2-N 2.8Å |
| 492 | A | 74.7 | Confident | 65.8 | Low | 17 Ų | 17 | 43.1 Ų | 43.1 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L367 R488 I489 I494 L495 S496 A1468 | L367-A492 HydrophobicContact CD2-CB 4.4Å; R488-A492 WeakPolarHBondContact O-CB 3.39Å; R488-A492 PolarHBondContact O-N 3.26Å; I489-A492 PolarHBondContact O-N 3.2Å; A492-I494 VanDerWaalsContact C-N 3.35Å; A492-L495 PolarHBondContact O-N 3.15Å; A492-S496 PolarHBondContact O-N 2.73Å; A492-S496 VanDerWaalsContact O-N 3.15Å; A492-A1468 HydrophobicContact CB-CB 3.92Å |
| 493 | V | 74.6 | Confident | 67.8 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.2 | -30.5 | 178.1 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | A370 I466 L470 I489 H490 E491 S496 | A370-V493 HydrophobicContact CB-CG2 4.12Å; I466-V493 HydrophobicContact CG2-CG1 3.47Å; I466-V493 VanDerWaalsContact CG2-CG1 3.47Å; L470-V493 HydrophobicContact CD1-CG1 3.99Å; L470-V493 HydrophobicContact CD2-CB 4.05Å; L470-V493 HydrophobicContact CD2-CG1 3.81Å; L470-V493 HydrophobicContact CG-CG1 3.93Å; I489-V493 VanDerWaalsContact O-CG2 3.29Å; I489-V493 WeakPolarHBondContact O-CG2 3.38Å; I489-V493 PolarHBondContact O-N 2.98Å; H490-V493 PolarHBondContact O-N 3.03Å; E491-V493 PolarHBondContact O-N 3.46Å; V493-S496 PolarHBondContact O-N 3.08Å; V493-S496 PolarHBondContact O-OG 2.95Å |
| 494 | I | 77.1 | Confident | 69.3 | Low | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -76.9 | -32.5 | 173 | -67.5 | 179.3 | 0 | 0 | 0 | 111.5 | L470 H490 E491 A492 S496 L497 I498 S549 L552 L553 | L470-I494 HydrophobicContact CD1-CG1 3.94Å; H490-I494 WeakPolarHBondContact CE1-CD1 3.4Å; H490-I494 WeakPolarHBondContact O-CG1 3.44Å; H490-I494 PolarHBondContact O-N 3.38Å; E491-I494 PolarHBondContact O-N 3.17Å; A492-I494 VanDerWaalsContact C-N 3.35Å; I494-S496 VanDerWaalsContact C-N 3.25Å; I494-S496 PolarHBondContact O-N 3.18Å; I494-L497 WeakPolarHBondContact O-CB 3.49Å; I494-L497 PolarHBondContact O-N 3.44Å; I494-L497 VanDerWaalsContact O-N 3.12Å; I494-I498 HydrophobicContact CG2-CD1 3.89Å; I494-I498 HydrophobicContact CG2-CG1 4.38Å; I494-I498 WeakPolarHBondContact O-CG1 3.45Å; I494-I498 PolarHBondContact O-N 2.97Å; I494-S549 VanDerWaalsContact CD1-OG 3.27Å; I494-S549 WeakPolarHBondContact CD1-OG 3.24Å; I494-L552 HydrophobicContact CB-CD2 4.13Å; I494-L552 HydrophobicContact CG2-CB 4.08Å; I494-L552 HydrophobicContact CG2-CD2 3.81Å; I494-L553 HydrophobicContact CG2-CD2 4.47Å; I494-L553 HydrophobicContact CG2-CG 4.39Å |
| 495 | L | 76.5 | Confident | 70.1 | Confident | 59 Ų | 59 | 32.7 Ų | 32.7 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.4 | -31.8 | 170.8 | -73.6 | 166.8 | 0 | 0 | 0 | 112.4 | E491 A492 I498 A499 L552 V1444 | E491-L495 HydrophobicContact CG-CD1 4.37Å; E491-L495 WeakPolarHBondContact O-CB 3.27Å; E491-L495 VanDerWaalsContact O-CG 3.28Å; E491-L495 WeakPolarHBondContact O-CG 3.36Å; E491-L495 PolarHBondContact O-N 3.06Å; A492-L495 PolarHBondContact O-N 3.15Å; L495-I498 HydrophobicContact CD2-CD1 4.31Å; L495-I498 PolarHBondContact O-N 2.88Å; L495-A499 WeakPolarHBondContact O-CB 3.39Å; L495-A499 PolarHBondContact O-N 3.36Å; L495-L552 HydrophobicContact CD2-CD2 4.47Å; L495-L552 HydrophobicContact CG-CD2 4.26Å; L495-V1444 HydrophobicContact CD1-CG2 4.3Å |
| 496 | S | 75.6 | Confident | 70.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.7 | -36.2 | 172 | 77 | 0 | 0 | 0 | 0 | 112.8 | A370 A492 V493 I494 A499 V500 | A370-S496 WeakPolarHBondContact O-CB 3.29Å; A492-S496 PolarHBondContact O-N 2.73Å; A492-S496 VanDerWaalsContact O-N 3.15Å; V493-S496 PolarHBondContact O-N 3.08Å; V493-S496 PolarHBondContact O-OG 2.95Å; I494-S496 VanDerWaalsContact C-N 3.25Å; I494-S496 PolarHBondContact O-N 3.18Å; S496-A499 PolarHBondContact O-N 3.08Å; S496-V500 WeakPolarHBondContact O-CG2 3.38Å; S496-V500 PolarHBondContact O-N 3.06Å |
| 497 | L | 75.1 | Confident | 70.5 | Confident | 12 Ų | 12 | 27.6 Ų | 27.6 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 172.5 | -62.3 | 174.4 | 0 | 0 | 0 | 111.8 | I466 I467 L470 I494 A499 V500 L501 | I466-L497 HydrophobicContact CG2-CD1 4.47Å; I466-L497 HydrophobicContact CG2-CD2 4.43Å; I467-L497 HydrophobicContact CD1-CD1 4.34Å; I467-L497 HydrophobicContact CG1-CD1 3.93Å; L470-L497 HydrophobicContact CD1-CD1 4.32Å; I494-L497 WeakPolarHBondContact O-CB 3.49Å; I494-L497 PolarHBondContact O-N 3.44Å; I494-L497 VanDerWaalsContact O-N 3.12Å; L497-A499 VanDerWaalsContact C-N 3.3Å; L497-A499 PolarHBondContact O-N 3.16Å; L497-V500 PolarHBondContact O-N 3.4Å; L497-L501 WeakPolarHBondContact O-CG 3.42Å; L497-L501 PolarHBondContact O-N 3.01Å |
| 498 | I | 77.4 | Confident | 70.2 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64 | -35.8 | 175 | -69.1 | 163.6 | 0 | 0 | 0 | 111.2 | I494 L495 L501 N502 L552 L553 P558 | I494-I498 HydrophobicContact CG2-CD1 3.89Å; I494-I498 HydrophobicContact CG2-CG1 4.38Å; I494-I498 WeakPolarHBondContact O-CG1 3.45Å; I494-I498 PolarHBondContact O-N 2.97Å; L495-I498 HydrophobicContact CD2-CD1 4.31Å; L495-I498 PolarHBondContact O-N 2.88Å; I498-L501 PolarHBondContact O-N 2.92Å; I498-N502 PolarHBondContact O-N 3.31Å; I498-L552 HydrophobicContact CD1-CD2 4.18Å; I498-L553 HydrophobicContact CD1-CD2 4.41Å; I498-L553 HydrophobicContact CG1-CD2 3.84Å; I498-P558 HydrophobicContact CG2-CB 4.27Å; I498-P558 HydrophobicContact CG2-CG 3.98Å |
| 499 | A | 76.7 | Confident | 69.6 | Low | 46 Ų | 46 | 29.6 Ų | 29.6 | 38% | 0.38 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.6 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I374 L495 S496 L497 N502 | I374-A499 HydrophobicContact CG1-CB 4.43Å; L495-A499 WeakPolarHBondContact O-CB 3.39Å; L495-A499 PolarHBondContact O-N 3.36Å; S496-A499 PolarHBondContact O-N 3.08Å; L497-A499 VanDerWaalsContact C-N 3.3Å; L497-A499 PolarHBondContact O-N 3.16Å; A499-N502 WeakPolarHBondContact O-CB 3.35Å; A499-N502 PolarHBondContact O-N 3.18Å |
| 500 | V | 73.6 | Confident | 69.2 | Low | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 172.6 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | V373 L377 F459 S496 L497 N502 R503 L510 | V373-V500 HydrophobicContact CG1-CG2 3.53Å; L377-V500 HydrophobicContact CD1-CG1 4.19Å; L377-V500 HydrophobicContact CD1-CG2 4.11Å; L377-V500 HydrophobicContact CD2-CG1 4.31Å; L377-V500 HydrophobicContact CD2-CG2 4.22Å; F459-V500 HydrophobicContact CE1-CG1 4.31Å; F459-V500 HydrophobicContact CZ-CG1 3.97Å; F459-V500 HydrophobicContact CZ-CG2 4.1Å; S496-V500 WeakPolarHBondContact O-CG2 3.38Å; S496-V500 PolarHBondContact O-N 3.06Å; L497-V500 PolarHBondContact O-N 3.4Å; V500-N502 PolarHBondContact O-N 3.07Å; V500-N502 VanDerWaalsContact O-N 3.13Å; V500-R503 PolarHBondContact O-N 3.49Å; V500-L510 HydrophobicContact CB-CD1 4.17Å; V500-L510 HydrophobicContact CG1-CD1 3.8Å |
| 501 | L | 74.6 | Confident | 68.7 | Low | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -18.2 | 178.1 | -70.1 | 173.3 | 0 | 0 | 0 | 113.7 | L497 I498 R503 A507 L510 I515 L553 P558 | L497-L501 WeakPolarHBondContact O-CG 3.42Å; L497-L501 PolarHBondContact O-N 3.01Å; I498-L501 PolarHBondContact O-N 2.92Å; L501-R503 VanDerWaalsContact C-N 3.26Å; L501-R503 PolarHBondContact O-N 2.98Å; L501-A507 HydrophobicContact CD2-CB 4.45Å; L501-L510 HydrophobicContact CD2-CD1 4.12Å; L501-L510 HydrophobicContact CG-CD1 4.24Å; L501-I515 HydrophobicContact CD1-CD1 4.31Å; L501-I515 HydrophobicContact CD2-CD1 4.21Å; L501-L553 HydrophobicContact CD1-CD2 4.1Å; L501-P558 HydrophobicContact CB-CB 3.98Å |
| 502 | N | 76.1 | Confident | 68.3 | Low | 27 Ų | 27 | 33.2 Ų | 33.2 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -20.8 | 178.8 | -177.5 | 58.1 | 0 | 0 | 0 | 113.5 | I498 A499 V500 P558 S1641 M1642 N1643 | I498-N502 PolarHBondContact O-N 3.31Å; A499-N502 WeakPolarHBondContact O-CB 3.35Å; A499-N502 PolarHBondContact O-N 3.18Å; V500-N502 PolarHBondContact O-N 3.07Å; V500-N502 VanDerWaalsContact O-N 3.13Å; N502-P558 HydrophobicContact CB-CB 4.24Å; N502-P558 HydrophobicContact CB-CG 3.73Å; N502-S1641 PolarHBondContact ND2-OG 3.24Å; N502-S1641 VanDerWaalsContact ND2-OG 3.15Å; N502-S1641 CarbonylContact O-C 3.52Å; N502-S1641 VanDerWaalsContact O-CA 3.26Å; N502-S1641 WeakPolarHBondContact O-CA 3.48Å; N502-S1641 PolarHBondContact OD1-OG 3.42Å; N502-M1642 PolarHBondContact O-N 2.85Å; N502-M1642 PolarHBondContact OD1-N 3.34Å; N502-N1643 VanDerWaalsContact OD1-CB 3.3Å; N502-N1643 WeakPolarHBondContact OD1-CB 3.47Å; N502-N1643 PolarHBondContact OD1-N 3.1Å; N502-N1643 PolarHBondContact OD1-ND2 3.42Å; N502-N1643 VanDerWaalsContact OD1-ND2 3.12Å |
| 503 | R | 69.9 | Low | 67.7 | Low | 73 Ų | 73 | 36 Ų | 36 | 28% | 0.275 | 20% | 0.196 | S | C | . | . | B | Isolated β-bridge | trans | -108.6 | 125.1 | 175.5 | -74.2 | -173.7 | 176.4 | -179.4 | -2.7 | 110.7 | E378 V500 L501 E505 Y506 A507 N1594 N1640 | E378-R503 IonicContact OE1-CZ 2.7Å; E378-R503 IonicContact OE1-NH1 3.32Å; E378-R503 PolarHBondContact OE1-NH1 2.9Å; E378-R503 IonicContact OE1-NH2 3.62Å; V500-R503 PolarHBondContact O-N 3.49Å; L501-R503 VanDerWaalsContact C-N 3.26Å; L501-R503 PolarHBondContact O-N 2.98Å; R503-E505 VanDerWaalsContact C-N 3.32Å; R503-E505 PolarHBondContact O-N 3.13Å; R503-Y506 HydrophobicContact CB-CD2 3.49Å; R503-Y506 VanDerWaalsContact CB-CD2 3.49Å; R503-Y506 HydrophobicContact CB-CE2 3.96Å; R503-Y506 HydrophobicContact CG-CD2 4.38Å; R503-Y506 HydrophobicContact CG-CE2 4.49Å; R503-Y506 PolarHBondContact O-N 2.81Å; R503-Y506 VanDerWaalsContact O-N 3.16Å; R503-A507 PolarHBondContact O-N 3.36Å; R503-N1594 PolarHBondContact NH2-OD1 3.08Å; R503-N1640 WeakPolarHBondContact CA-O 3.27Å |
| 504 | S | 63.5 | Low | 67.2 | Low | 26 Ų | 26 | 36.4 Ų | 36.4 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -28.9 | -172.4 | 46.7 | 0 | 0 | 0 | 0 | 115 | Y506 N1640 | S504-Y506 VanDerWaalsContact C-N 3.29Å; S504-Y506 PolarHBondContact O-N 2.89Å; S504-N1640 PolarHBondContact N-O 2.92Å; S504-N1640 VanDerWaalsContact OG-CA 3.3Å; S504-N1640 WeakPolarHBondContact OG-CA 3.44Å; S504-N1640 WeakPolarHBondContact OG-CB 3.46Å; S504-N1640 PolarHBondContact OG-O 3.25Å; S504-N1640 PolarHBondContact OG-OD1 3.15Å |
| 505 | E | 58.8 | Low | 66.8 | Low | 66 Ų | 66 | 36.9 Ų | 36.9 | 31% | 0.308 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 176.2 | -46.5 | 120.9 | -93.1 | 0 | 0 | 111.5 | R503 | R503-E505 VanDerWaalsContact C-N 3.32Å; R503-E505 PolarHBondContact O-N 3.13Å |
| 506 | Y | 58.5 | Low | 66.5 | Low | 24 Ų | 24 | 36 Ų | 36 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -90.9 | -13.5 | -171.6 | -47.8 | -91.5 | 0 | 0 | 0 | 112.9 | L377 I381 R503 S504 Q508 L509 L510 | L377-Y506 HydrophobicContact CD1-CD1 3.97Å; L377-Y506 HydrophobicContact CD1-CG 4.46Å; L377-Y506 HydrophobicContact CD2-CD1 3.67Å; L377-Y506 HydrophobicContact CD2-CD2 4.09Å; L377-Y506 HydrophobicContact CD2-CE1 4.22Å; L377-Y506 HydrophobicContact CD2-CG 3.62Å; L377-Y506 HydrophobicContact CG-CD1 3.49Å; L377-Y506 VanDerWaalsContact CG-CD1 3.49Å; L377-Y506 HydrophobicContact CG-CE1 3.91Å; L377-Y506 HydrophobicContact CG-CG 4Å; I381-Y506 HydrophobicContact CD1-CD1 3.91Å; I381-Y506 HydrophobicContact CD1-CE1 3.72Å; R503-Y506 HydrophobicContact CB-CD2 3.49Å; R503-Y506 VanDerWaalsContact CB-CD2 3.49Å; R503-Y506 HydrophobicContact CB-CE2 3.96Å; R503-Y506 HydrophobicContact CG-CD2 4.38Å; R503-Y506 HydrophobicContact CG-CE2 4.49Å; R503-Y506 PolarHBondContact O-N 2.81Å; R503-Y506 VanDerWaalsContact O-N 3.16Å; S504-Y506 VanDerWaalsContact C-N 3.29Å; S504-Y506 PolarHBondContact O-N 2.89Å; Y506-Q508 PolarHBondContact O-N 3.49Å; Y506-L509 HydrophobicContact CD1-CD1 3.96Å; Y506-L509 WeakPolarHBondContact O-CB 3.5Å; Y506-L509 PolarHBondContact O-N 3.25Å; Y506-L509 VanDerWaalsContact O-N 3.1Å; Y506-L510 PolarHBondContact O-N 3.39Å |
| 507 | A | 58.1 | Low | 66.1 | Low | 11 Ų | 11 | 38.4 Ų | 38.4 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.2 | -38.4 | 165 | 0 | 0 | 0 | 0 | 0 | 111.3 | L501 R503 L509 L510 | L501-A507 HydrophobicContact CD2-CB 4.45Å; R503-A507 PolarHBondContact O-N 3.36Å; A507-L509 PolarHBondContact O-N 3.49Å; A507-L510 CarbonylContact O-C 3.56Å; A507-L510 PolarHBondContact O-N 3.01Å; A507-L510 VanDerWaalsContact O-N 3.13Å |
| 508 | Q | 57.2 | Low | 66 | Low | 171 Ų | 171 | 38 Ų | 38 | 80% | 0.799 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -20.9 | 176.7 | -57.5 | -174.6 | 23.8 | 0 | 0 | 113.7 | Y506 | Y506-Q508 PolarHBondContact O-N 3.49Š|
| 509 | L | 53.4 | Low | 65.8 | Low | 26 Ų | 26 | 37.6 Ų | 37.6 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -11.5 | 177.1 | -81.1 | 152.7 | 0 | 0 | 0 | 113.1 | I381 L456 F459 Y506 A507 P511 | I381-L509 HydrophobicContact CD1-CD1 3.48Å; I381-L509 VanDerWaalsContact CD1-CD1 3.48Å; I381-L509 HydrophobicContact CG1-CD1 4.21Å; L456-L509 HydrophobicContact CD2-CD2 3.91Å; F459-L509 HydrophobicContact CD1-CB 3.96Å; F459-L509 HydrophobicContact CE1-CB 4.2Å; Y506-L509 HydrophobicContact CD1-CD1 3.96Å; Y506-L509 WeakPolarHBondContact O-CB 3.5Å; Y506-L509 PolarHBondContact O-N 3.25Å; Y506-L509 VanDerWaalsContact O-N 3.1Å; A507-L509 PolarHBondContact O-N 3.49Å; L509-P511 VanDerWaalsContact C-CD 3.49Å; L509-P511 WeakPolarHBondContact O-CD 3.48Å |
| 510 | L | 60 | Low | 65.5 | Low | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -102.8 | 81.6 | 167.9 | -94.6 | 162.8 | 0 | 0 | 0 | 109.1 | I467 V500 L501 Y506 A507 N512 L514 | I467-L510 HydrophobicContact CD1-CD2 4.38Å; V500-L510 HydrophobicContact CB-CD1 4.17Å; V500-L510 HydrophobicContact CG1-CD1 3.8Å; L501-L510 HydrophobicContact CD2-CD1 4.12Å; L501-L510 HydrophobicContact CG-CD1 4.24Å; Y506-L510 PolarHBondContact O-N 3.39Å; A507-L510 CarbonylContact O-C 3.56Å; A507-L510 PolarHBondContact O-N 3.01Å; A507-L510 VanDerWaalsContact O-N 3.13Å; L510-N512 PolarHBondContact O-N 3.26Å; L510-L514 HydrophobicContact CD2-CD1 4.25Å |
| 511 | P | 59.9 | Low | 65.4 | Low | 56 Ų | 56 | 39.3 Ų | 39.3 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | trans | -58.6 | 140.1 | 179.5 | 25.6 | -35.7 | 0 | 0 | 0 | 110.9 | L509 S513 L514 | L509-P511 VanDerWaalsContact C-CD 3.49Å; L509-P511 WeakPolarHBondContact O-CD 3.48Å; P511-S513 PolarHBondContact O-N 2.75Å; P511-L514 HydrophobicContact CG-CD1 4.24Å; P511-L514 HydrophobicContact CG-CG 4.34Å; P511-L514 PolarHBondContact O-N 3.28Å | ||
| 512 | N | 63.8 | Low | 65.3 | Low | 60 Ų | 60 | 39.2 Ų | 39.2 | 32% | 0.321 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -53.2 | -23.6 | -176.1 | -61.7 | 3.6 | 0 | 0 | 0 | 113.7 | L510 L514 I515 S516 H562 D566 | L510-N512 PolarHBondContact O-N 3.26Å; N512-L514 PolarHBondContact O-N 3.48Å; N512-I515 PolarHBondContact O-N 3.42Å; N512-S516 VanDerWaalsContact O-CB 3.29Å; N512-S516 WeakPolarHBondContact O-CB 3.14Å; N512-S516 PolarHBondContact O-N 2.86Å; N512-S516 PolarHBondContact O-OG 3.07Å; N512-H562 PolarHBondContact OD1-CE1 2.83Å; N512-D566 PolarHBondContact ND2-O 2.82Å |
| 513 | S | 62.1 | Low | 65 | Low | 77 Ų | 77 | 40.8 Ų | 40.8 | 54% | 0.538 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.3 | -13.2 | 173.2 | 57.4 | 0 | 0 | 0 | 0 | 115.3 | P511 S516 | P511-S513 PolarHBondContact O-N 2.75Å; S513-S516 WeakPolarHBondContact CA-OG 3.22Å; S513-S516 PolarHBondContact O-OG 2.85Å |
| 514 | L | 63.3 | Low | 64.5 | Low | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -90.1 | -43.3 | 170.3 | -73.7 | 179.3 | 0 | 0 | 0 | 112 | Q464 I467 L510 P511 N512 K517 | Q464-L514 HydrophobicContact CB-CD2 3.88Å; Q464-L514 HydrophobicContact CG-CD2 4.08Å; I467-L514 HydrophobicContact CD1-CB 3.87Å; L510-L514 HydrophobicContact CD2-CD1 4.25Å; P511-L514 HydrophobicContact CG-CD1 4.24Å; P511-L514 HydrophobicContact CG-CG 4.34Å; P511-L514 PolarHBondContact O-N 3.28Å; N512-L514 PolarHBondContact O-N 3.48Å; L514-K517 HydrophobicContact CD2-CD 4.46Å; L514-K517 VanDerWaalsContact O-CB 3.32Å; L514-K517 WeakPolarHBondContact O-CB 3.41Å; L514-K517 WeakPolarHBondContact O-CG 3.42Å; L514-K517 PolarHBondContact O-N 2.88Å |
| 515 | I | 68.7 | Low | 63.7 | Low | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71 | -35 | 178.6 | -66.8 | 170.1 | 0 | 0 | 0 | 110.6 | L501 N512 K517 F518 F519 H562 F563 | L501-I515 HydrophobicContact CD1-CD1 4.31Å; L501-I515 HydrophobicContact CD2-CD1 4.21Å; N512-I515 PolarHBondContact O-N 3.42Å; I515-K517 PolarHBondContact O-N 3.26Å; I515-K517 VanDerWaalsContact O-N 3.1Å; I515-F518 WeakPolarHBondContact O-CD2 3.36Å; I515-F518 PolarHBondContact O-N 3.2Å; I515-F518 VanDerWaalsContact O-N 3.11Å; I515-F519 HydrophobicContact CG2-CE2 4.41Å; I515-H562 WeakPolarHBondContact CD1-NE2 3.49Å; I515-F563 HydrophobicContact CG2-CE1 4.41Å; I515-F563 HydrophobicContact CG2-CZ 3.98Å |
| 516 | S | 69.7 | Low | 63.1 | Low | 40 Ų | 40 | 38.5 Ų | 38.5 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -60.5 | -19.2 | 174.6 | 70.5 | 0 | 0 | 0 | 0 | 113.7 | N512 S513 F518 F519 V520 | N512-S516 VanDerWaalsContact O-CB 3.29Å; N512-S516 WeakPolarHBondContact O-CB 3.14Å; N512-S516 PolarHBondContact O-N 2.86Å; N512-S516 PolarHBondContact O-OG 3.07Å; S513-S516 WeakPolarHBondContact CA-OG 3.22Å; S513-S516 PolarHBondContact O-OG 2.85Å; S516-F518 PolarHBondContact O-N 2.9Å; S516-F519 WeakPolarHBondContact O-CB 3.49Å; S516-F519 PolarHBondContact O-N 2.85Å; S516-V520 PolarHBondContact O-N 3Å |
| 517 | K | 68.8 | Low | 62 | Low | 51 Ų | 51 | 46.6 Ų | 46.6 | 22% | 0.222 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -58.9 | -33.1 | 173.6 | -66.9 | -175.4 | 172.2 | -173.4 | 0 | 112.7 | I467 Q468 M471 L514 I515 F519 V520 | I467-K517 HydrophobicContact CG2-CB 4.34Å; I467-K517 HydrophobicContact CG2-CD 4.04Å; Q468-K517 VanDerWaalsContact OE1-NZ 3.13Å; M471-K517 VanDerWaalsContact CE-O 3.23Å; M471-K517 WeakPolarHBondContact CE-O 3.43Å; L514-K517 HydrophobicContact CD2-CD 4.46Å; L514-K517 VanDerWaalsContact O-CB 3.32Å; L514-K517 WeakPolarHBondContact O-CB 3.41Å; L514-K517 WeakPolarHBondContact O-CG 3.42Å; L514-K517 PolarHBondContact O-N 2.88Å; I515-K517 PolarHBondContact O-N 3.26Å; I515-K517 VanDerWaalsContact O-N 3.1Å; K517-F519 PolarHBondContact O-N 3.27Å; K517-V520 PolarHBondContact O-N 3.41Å |
| 518 | F | 71.6 | Confident | 60.8 | Low | 3 Ų | 3 | 51.7 Ų | 51.7 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -70.5 | -16.8 | 175.3 | -63 | -64.8 | 0 | 0 | 0 | 113.1 | I467 L470 M471 I515 S516 T521 L550 L553 | I467-F518 HydrophobicContact CD1-CE2 4.49Å; I467-F518 HydrophobicContact CG1-CE2 4.3Å; I467-F518 HydrophobicContact CG1-CZ 4.19Å; I467-F518 HydrophobicContact CG2-CE2 4.25Å; I467-F518 HydrophobicContact CG2-CZ 4.01Å; L470-F518 HydrophobicContact CD1-CZ 4.16Å; M471-F518 HydrophobicContact CE-CD1 4.07Å; M471-F518 HydrophobicContact CG-CE1 4.4Å; M471-F518 HydrophobicContact SD-CD1 3.89Å; M471-F518 HydrophobicContact SD-CE1 4.01Å; I515-F518 WeakPolarHBondContact O-CD2 3.36Å; I515-F518 PolarHBondContact O-N 3.2Å; I515-F518 VanDerWaalsContact O-N 3.11Å; S516-F518 PolarHBondContact O-N 2.9Å; F518-T521 PolarHBondContact O-OG1 3.46Å; F518-L550 HydrophobicContact CB-CD2 3.75Å; F518-L550 HydrophobicContact CB-CG 4.03Å; F518-L553 HydrophobicContact CD2-CD1 4.38Å |
| 519 | F | 74.2 | Confident | 59.7 | Low | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -88.8 | -19.4 | 178.1 | -69.9 | -100.9 | 0 | 0 | 0 | 113.5 | I515 S516 K517 T521 F522 T523 L550 F563 L571 L574 | I515-F519 HydrophobicContact CG2-CE2 4.41Å; S516-F519 WeakPolarHBondContact O-CB 3.49Å; S516-F519 PolarHBondContact O-N 2.85Å; K517-F519 PolarHBondContact O-N 3.27Å; F519-T521 VanDerWaalsContact C-N 3.25Å; F519-T521 PolarHBondContact O-N 3.19Å; F519-T521 VanDerWaalsContact O-N 3.16Å; F519-F522 WeakPolarHBondContact O-CA 3.48Å; F519-F522 PolarHBondContact O-N 2.77Å; F519-T523 PolarHBondContact O-N 3.16Å; F519-L550 HydrophobicContact CD1-CD1 4.21Å; F519-L550 HydrophobicContact CD2-CD1 4.42Å; F519-L550 HydrophobicContact CD2-CD2 3.89Å; F519-L550 HydrophobicContact CE1-CD1 4.23Å; F519-L550 HydrophobicContact CE1-CD2 4.36Å; F519-L550 HydrophobicContact CE2-CD1 4.44Å; F519-L550 HydrophobicContact CE2-CD2 3.39Å; F519-L550 HydrophobicContact CG-CD1 4.32Å; F519-L550 HydrophobicContact CZ-CD1 4.34Å; F519-L550 HydrophobicContact CZ-CD2 3.67Å; F519-F563 AromaticContact CE2-CE1 3.78Å; F519-F563 HydrophobicContact CE2-CE1 3.78Å; F519-F563 AromaticContact CE2-CZ 3.79Å; F519-F563 HydrophobicContact CE2-CZ 3.79Å; F519-F563 AromaticContact CZ-CE1 3.53Å; F519-F563 HydrophobicContact CZ-CE1 3.53Å; F519-F563 AromaticContact CZ-CZ 3.7Å; F519-F563 HydrophobicContact CZ-CZ 3.7Å; F519-L571 HydrophobicContact CE1-CD2 4.15Å; F519-L571 HydrophobicContact CZ-CD2 4.29Å; F519-L574 HydrophobicContact CD1-CB 4.03Å; F519-L574 HydrophobicContact CD1-CD1 4.32Å; F519-L574 HydrophobicContact CD1-CD2 4.12Å; F519-L574 HydrophobicContact CD1-CG 4.39Å; F519-L574 HydrophobicContact CE1-CB 4.14Å; F519-L574 HydrophobicContact CE1-CD2 3.83Å; F519-L574 HydrophobicContact CE1-CG 4.48Å |
| 520 | V | 71 | Confident | 58.6 | Low | 61 Ų | 61 | 50.3 Ų | 50.3 | 37% | 0.37 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56 | -37.7 | -173.5 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | S516 K517 F522 T523 S524 | S516-V520 PolarHBondContact O-N 3Å; K517-V520 PolarHBondContact O-N 3.41Å; V520-F522 PolarHBondContact O-N 3.08Å; V520-F522 VanDerWaalsContact O-N 3.17Å; V520-T523 WeakPolarHBondContact CA-OG1 3.45Å; V520-T523 PolarHBondContact O-N 3.21Å; V520-T523 PolarHBondContact O-OG1 3.03Å; V520-S524 PolarHBondContact O-N 2.9Å; V520-S524 VanDerWaalsContact O-N 3.11Å; V520-S524 PolarHBondContact O-OG 2.83Å; V520-S524 VanDerWaalsContact O-OG 3.13Å |
| 521 | T | 69.7 | Low | 57.1 | Low | 23 Ų | 23 | 61 Ų | 61 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -22.2 | 174.7 | 43.6 | 0 | 0 | 0 | 0 | 114.3 | F518 F519 F542 A546 | F518-T521 PolarHBondContact O-OG1 3.46Å; F519-T521 VanDerWaalsContact C-N 3.25Å; F519-T521 PolarHBondContact O-N 3.19Å; F519-T521 VanDerWaalsContact O-N 3.16Å; T521-F542 HydrophobicContact CG2-CD1 3.58Å; T521-F542 HydrophobicContact CG2-CE1 3.28Å; T521-F542 HydrophobicContact CG2-CZ 4.09Å; T521-A546 HydrophobicContact CG2-CB 4.21Å; T521-A546 WeakPolarHBondContact OG1-CB 3.09Å |
| 522 | F | 72.5 | Confident | 55.7 | Low | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -108.3 | -2.4 | -177.7 | -51.9 | -76.5 | 0 | 0 | 0 | 113.1 | F519 V520 A546 R547 L550 L574 T577 I585 Q588 I589 L592 | F519-F522 WeakPolarHBondContact O-CA 3.48Å; F519-F522 PolarHBondContact O-N 2.77Å; V520-F522 PolarHBondContact O-N 3.08Å; V520-F522 VanDerWaalsContact O-N 3.17Å; F522-A546 HydrophobicContact CE2-CB 4.08Å; F522-A546 HydrophobicContact CZ-CB 4.46Å; F522-R547 HydrophobicContact CZ-CB 3.93Å; F522-L550 HydrophobicContact CD2-CD1 4Å; F522-L550 HydrophobicContact CE2-CD1 3.74Å; F522-L574 HydrophobicContact CB-CD1 3.4Å; F522-L574 VanDerWaalsContact CB-CD1 3.4Å; F522-L574 HydrophobicContact CD2-CD1 4.49Å; F522-L574 HydrophobicContact CG-CD1 4.02Å; F522-T577 PolarHBondContact O-OG1 2.87Å; F522-I585 WeakPolarHBondContact O-CG2 3.19Å; F522-Q588 HydrophobicContact CD1-CB 4.15Å; F522-Q588 HydrophobicContact CE1-CB 4.09Å; F522-I589 HydrophobicContact CB-CD1 4.29Å; F522-I589 HydrophobicContact CB-CG1 3.97Å; F522-I589 HydrophobicContact CD1-CG1 3.94Å; F522-I589 HydrophobicContact CG-CG1 4.33Å; F522-L592 HydrophobicContact CE1-CD1 4.3Å; F522-L592 HydrophobicContact CE2-CD1 4.08Å; F522-L592 HydrophobicContact CZ-CD1 3.96Å |
| 523 | T | 69.7 | Low | 53.9 | Low | 59 Ų | 59 | 65.1 Ų | 65.1 | 36% | 0.362 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -112.8 | -31.4 | 179.4 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | F519 V520 T577 | F519-T523 PolarHBondContact O-N 3.16Å; V520-T523 WeakPolarHBondContact CA-OG1 3.45Å; V520-T523 PolarHBondContact O-N 3.21Å; V520-T523 PolarHBondContact O-OG1 3.03Å; T523-T577 HydrophobicContact CG2-CG2 4.32Å |
| 524 | S | 59.9 | Low | 52.4 | Low | 21 Ų | 21 | 65.7 Ų | 65.7 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -115.1 | 130.7 | 179.3 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | V520 | V520-S524 PolarHBondContact O-N 2.9Å; V520-S524 VanDerWaalsContact O-N 3.11Å; V520-S524 PolarHBondContact O-OG 2.83Å; V520-S524 VanDerWaalsContact O-OG 3.13Å |
| 525 | S | 48 | Very low | 51 | Low | 44 Ų | 44 | 67.6 Ų | 67.6 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | trans | -56.7 | 138.4 | 168.5 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | Y527 | S525-Y527 PolarHBondContact O-N 3.2Š| ||
| 526 | P | 45.7 | Very low | 49.3 | Very low | 53 Ų | 53 | 71 Ų | 71 | 34% | 0.344 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -63.1 | -13.4 | -168.5 | 22.4 | -34 | 0 | 0 | 0 | 115.3 | F528 | P526-F528 VanDerWaalsContact C-N 3.3Å; P526-F528 PolarHBondContact O-N 3.24Å |
| 527 | Y | 35.9 | Very low | 47.5 | Very low | 194 Ų | 194 | 76.8 Ų | 76.8 | 76% | 0.761 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -69 | -15.6 | -175.7 | -67.5 | -81.7 | 0 | 0 | 0 | 115.7 | S525 | S525-Y527 PolarHBondContact O-N 3.2Š|
| 528 | F | 32.8 | Very low | 45.9 | Very low | 117 Ų | 117 | 78.7 Ų | 78.7 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -103.7 | 2.4 | -175 | -100 | -93.3 | 0 | 0 | 0 | 116.3 | Y414 P526 H530 | Y414-F528 HydrophobicContact CE1-CB 3.96Å; Y414-F528 HydrophobicContact CE2-CB 4.16Å; Y414-F528 WeakPolarHBondContact CE2-O 3.12Å; Y414-F528 WeakPolarHBondContact OH-CB 3.41Å; P526-F528 VanDerWaalsContact C-N 3.3Å; P526-F528 PolarHBondContact O-N 3.24Å; F528-H530 PolarHBondContact O-N 3.1Å |
| 529 | L | 33.3 | Very low | 44.2 | Very low | 48 Ų | 48 | 81.3 Ų | 81.3 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | trans | -76.7 | 63 | 173.1 | -91 | 150.2 | 0 | 0 | 0 | 111.8 | Y410 R531 F536 | Y410-L529 HydrophobicContact CE1-CD2 4.13Å; L529-R531 PolarHBondContact O-N 3.3Å; L529-R531 VanDerWaalsContact O-N 3.08Å; L529-F536 HydrophobicContact CB-CE2 4.1Å; L529-F536 HydrophobicContact CD1-CE2 4.18Å; L529-F536 HydrophobicContact CD1-CZ 3.78Å | ||
| 530 | H | 29.4 | Very low | 42.9 | Very low | 120 Ų | 120 | 85.9 Ų | 85.9 | 56% | 0.556 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 64.4 | -151.8 | -159.2 | -80.4 | 0 | 0 | 0 | 115.6 | F528 K533 | F528-H530 PolarHBondContact O-N 3.1Å; H530-K533 WeakPolarHBondContact NE2-CE 3.31Å |
| 531 | R | 29 | Very low | 42.2 | Very low | 228 Ų | 228 | 84.4 Ų | 84.4 | 86% | 0.86 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144 | 10.9 | 154.2 | -138.1 | -176.4 | 178.4 | 179.5 | 0.4 | 117.6 | L529 | L529-R531 PolarHBondContact O-N 3.3Å; L529-R531 VanDerWaalsContact O-N 3.08Å |
| 532 | S | 31 | Very low | 41.7 | Very low | 31 Ų | 31 | 85.1 Ų | 85.1 | 22% | 0.217 | 42% | 0.424 | C | S | . | . | trans | -145.3 | 81.9 | 171.7 | 58 | 0 | 0 | 0 | 0 | 112.9 | L534 S535 | S532-L534 PolarHBondContact O-N 2.77Å; S532-S535 PolarHBondContact O-N 3.39Å; S532-S535 PolarHBondContact O-OG 2.92Å; S532-S535 PolarHBondContact OG-OG 3.41Å | ||
| 533 | K | 25.9 | Very low | 41.4 | Very low | 171 Ų | 171 | 86.7 Ų | 86.7 | 74% | 0.743 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -4.2 | -173.8 | -82.9 | -171.7 | 173.7 | 179.7 | 0 | 116.6 | H530 | H530-K533 WeakPolarHBondContact NE2-CE 3.31Š|
| 534 | L | 30.1 | Very low | 41.3 | Very low | 89 Ų | 89 | 87.9 Ų | 87.9 | 47% | 0.466 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -15.4 | -179.4 | -82.9 | 81 | 0 | 0 | 0 | 114.9 | S532 | S532-L534 PolarHBondContact O-N 2.77Š|
| 535 | S | 34.8 | Very low | 41.7 | Very low | 49 Ų | 49 | 87.4 Ų | 87.4 | 34% | 0.343 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -84.8 | -27 | -166.8 | 54.4 | 0 | 0 | 0 | 0 | 115.4 | S532 | S532-S535 PolarHBondContact O-N 3.39Å; S532-S535 PolarHBondContact O-OG 2.92Å; S532-S535 PolarHBondContact OG-OG 3.41Å |
| 536 | F | 32.1 | Very low | 43.1 | Very low | 82 Ų | 82 | 85.3 Ų | 85.3 | 36% | 0.36 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -33 | -173.9 | -90 | -84.8 | 0 | 0 | 0 | 114.6 | L529 V538 F542 | L529-F536 HydrophobicContact CB-CE2 4.1Å; L529-F536 HydrophobicContact CD1-CE2 4.18Å; L529-F536 HydrophobicContact CD1-CZ 3.78Å; F536-V538 PolarHBondContact O-N 2.97Å; F536-F542 HydrophobicContact CE1-CD1 4.04Å; F536-F542 HydrophobicContact CE1-CE1 4.48Å; F536-F542 HydrophobicContact CZ-CD1 4.36Å; F536-F542 HydrophobicContact CZ-CE1 4.44Å |
| 537 | N | 32.6 | Very low | 44.7 | Very low | 162 Ų | 162 | 86.5 Ų | 86.5 | 87% | 0.866 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1.9 | -176.2 | -71.1 | 3.7 | 0 | 0 | 0 | 114.4 | ||
| 538 | V | 35.1 | Very low | 46.6 | Very low | 91 Ų | 91 | 79.6 Ų | 79.6 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -24 | -172.3 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | F536 | F536-V538 PolarHBondContact O-N 2.97Š|
| 539 | Y | 36.1 | Very low | 48.7 | Very low | 58 Ų | 58 | 74 Ų | 74 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | trans | -126.2 | 94.5 | -167.9 | -67.4 | -79.9 | 0 | 0 | 0 | 113.3 | V475 N478 S541 | V475-Y539 HydrophobicContact CG1-CG 4.06Å; V475-Y539 VanDerWaalsContact O-CD1 3.27Å; V475-Y539 WeakPolarHBondContact O-CD1 3.16Å; N478-Y539 PolarHBondContact OD1-OH 2.81Å; Y539-S541 PolarHBondContact O-N 3.02Å | ||
| 540 | P | 46.4 | Very low | 51 | Low | 101 Ų | 101 | 71.8 Ų | 71.8 | 66% | 0.656 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 1.1 | 174.7 | 29.8 | -35.8 | 0 | 0 | 0 | 113.9 | I544 | P540-I544 VanDerWaalsContact O-CD1 3.31Å; P540-I544 WeakPolarHBondContact O-CD1 3.38Å; P540-I544 WeakPolarHBondContact O-CG1 3.41Å |
| 541 | S | 55.8 | Low | 53.4 | Low | 29 Ų | 29 | 66.7 Ų | 66.7 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.3 | -33.2 | -175.8 | 46.8 | 0 | 0 | 0 | 0 | 114 | V475 Y539 I544 C545 | V475-S541 WeakPolarHBondContact CA-OG 3.41Å; V475-S541 PolarHBondContact O-OG 3.4Å; Y539-S541 PolarHBondContact O-N 3.02Å; S541-I544 PolarHBondContact O-N 3.2Å; S541-C545 WeakPolarHBondContact O-CB 3.38Å; S541-C545 PolarHBondContact O-N 3.1Å |
| 542 | F | 59.8 | Low | 55.7 | Low | 38 Ų | 38 | 56.4 Ų | 56.4 | 17% | 0.167 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -53 | -172.7 | -172.8 | -118.2 | 0 | 0 | 0 | 115.2 | M471 V475 T521 F536 I544 C545 A546 | M471-F542 HydrophobicContact CB-CE2 3.93Å; M471-F542 HydrophobicContact CE-CE2 3.85Å; M471-F542 HydrophobicContact CE-CZ 3.67Å; M471-F542 HydrophobicContact CG-CE2 4.32Å; M471-F542 VanDerWaalsContact O-CE2 3.3Å; M471-F542 WeakPolarHBondContact O-CE2 3.34Å; M471-F542 HydrophobicContact SD-CD2 4.5Å; M471-F542 HydrophobicContact SD-CE2 3.59Å; M471-F542 VanDerWaalsContact SD-CE2 3.59Å; M471-F542 HydrophobicContact SD-CZ 4.08Å; V475-F542 HydrophobicContact CG2-CB 4.12Å; V475-F542 HydrophobicContact CG2-CD2 3.76Å; V475-F542 HydrophobicContact CG2-CG 4.34Å; T521-F542 HydrophobicContact CG2-CD1 3.58Å; T521-F542 HydrophobicContact CG2-CE1 3.28Å; T521-F542 HydrophobicContact CG2-CZ 4.09Å; F536-F542 HydrophobicContact CE1-CD1 4.04Å; F536-F542 HydrophobicContact CE1-CE1 4.48Å; F536-F542 HydrophobicContact CZ-CD1 4.36Å; F536-F542 HydrophobicContact CZ-CE1 4.44Å; F542-I544 VanDerWaalsContact C-N 3.25Å; F542-I544 PolarHBondContact O-N 3.42Å; F542-C545 VanDerWaalsContact O-CB 3.27Å; F542-C545 WeakPolarHBondContact O-CB 3.29Å; F542-C545 PolarHBondContact O-N 3.02Å; F542-A546 PolarHBondContact O-N 3.1Å |
| 543 | P | 67.1 | Low | 58.1 | Low | 35 Ų | 35 | 55.2 Ų | 55.2 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -28.3 | 176.5 | 26.3 | -34.6 | 0 | 0 | 0 | 112.4 | R547 | P543-R547 WeakPolarHBondContact O-CB 3.21Å; P543-R547 PolarHBondContact O-N 3.47Å |
| 544 | I | 67.2 | Low | 60.9 | Low | 84 Ų | 84 | 47.1 Ų | 47.1 | 43% | 0.431 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | 173.5 | -62.5 | 174.4 | 0 | 0 | 0 | 110.6 | P540 S541 F542 N548 | P540-I544 VanDerWaalsContact O-CD1 3.31Å; P540-I544 WeakPolarHBondContact O-CD1 3.38Å; P540-I544 WeakPolarHBondContact O-CG1 3.41Å; S541-I544 PolarHBondContact O-N 3.2Å; F542-I544 VanDerWaalsContact C-N 3.25Å; F542-I544 PolarHBondContact O-N 3.42Å; I544-N548 WeakPolarHBondContact O-CB 3.48Å; I544-N548 PolarHBondContact O-N 2.96Å; I544-N548 PolarHBondContact O-ND2 3.09Å; I544-N548 PolarHBondContact O-OD1 3.28Å |
| 545 | C | 68.8 | Low | 63.2 | Low | 12 Ų | 12 | 44.1 Ų | 44.1 | 8% | 0.081 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.6 | -60.5 | 173.8 | -165.9 | 0 | 0 | 0 | 0 | 110.1 | H490 S541 F542 R547 N548 S549 | H490-C545 PolarHBondContact CD2-SG 3.01Å; H490-C545 PolarHBondContact NE2-SG 3.04Å; S541-C545 WeakPolarHBondContact O-CB 3.38Å; S541-C545 PolarHBondContact O-N 3.1Å; F542-C545 VanDerWaalsContact O-CB 3.27Å; F542-C545 WeakPolarHBondContact O-CB 3.29Å; F542-C545 PolarHBondContact O-N 3.02Å; C545-R547 VanDerWaalsContact C-N 3.35Å; C545-R547 PolarHBondContact O-N 3.26Å; C545-N548 PolarHBondContact O-N 3.23Å; C545-N548 VanDerWaalsContact O-N 3.08Å; C545-S549 PolarHBondContact O-N 3.34Å; C545-S549 PolarHBondContact O-OG 3.18Å |
| 546 | A | 75.8 | Confident | 65.4 | Low | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.1 | -42.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T521 F522 F542 S549 L550 | T521-A546 HydrophobicContact CG2-CB 4.21Å; T521-A546 WeakPolarHBondContact OG1-CB 3.09Å; F522-A546 HydrophobicContact CE2-CB 4.08Å; F522-A546 HydrophobicContact CZ-CB 4.46Å; F542-A546 PolarHBondContact O-N 3.1Å; A546-S549 WeakPolarHBondContact O-CB 3.48Å; A546-S549 PolarHBondContact O-N 3.4Å; A546-L550 WeakPolarHBondContact O-CG 3.47Å; A546-L550 PolarHBondContact O-N 3.32Å |
| 547 | R | 79.8 | Confident | 67.7 | Low | 78 Ų | 78 | 39.4 Ų | 39.4 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.4 | -48.7 | 174.9 | -172 | -162.9 | 67.3 | 175.4 | -0.5 | 111.5 | F522 P543 C545 S549 L550 I551 L592 | F522-R547 HydrophobicContact CZ-CB 3.93Å; P543-R547 WeakPolarHBondContact O-CB 3.21Å; P543-R547 PolarHBondContact O-N 3.47Å; C545-R547 VanDerWaalsContact C-N 3.35Å; C545-R547 PolarHBondContact O-N 3.26Å; R547-S549 VanDerWaalsContact C-N 3.29Å; R547-S549 PolarHBondContact O-N 3.01Å; R547-L550 PolarHBondContact O-N 3.42Å; R547-I551 HydrophobicContact CG-CD1 3.87Å; R547-I551 WeakPolarHBondContact O-CD1 3.44Å; R547-I551 VanDerWaalsContact O-CG1 3.27Å; R547-I551 WeakPolarHBondContact O-CG1 3.26Å; R547-I551 PolarHBondContact O-N 3.39Å; R547-L592 HydrophobicContact CG-CB 3.88Å; R547-L592 HydrophobicContact CG-CD1 4.32Å; R547-L592 HydrophobicContact CG-CG 4.1Å |
| 548 | N | 75.4 | Confident | 69.8 | Low | 48 Ų | 48 | 31.8 Ų | 31.8 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.6 | -33.4 | -178.9 | -66.1 | -3.6 | 0 | 0 | 0 | 111.1 | I544 C545 I551 L552 | I544-N548 WeakPolarHBondContact O-CB 3.48Å; I544-N548 PolarHBondContact O-N 2.96Å; I544-N548 PolarHBondContact O-ND2 3.09Å; I544-N548 PolarHBondContact O-OD1 3.28Å; C545-N548 PolarHBondContact O-N 3.23Å; C545-N548 VanDerWaalsContact O-N 3.08Å; N548-I551 PolarHBondContact O-N 2.96Å; N548-L552 PolarHBondContact O-N 2.95Å |
| 549 | S | 77.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -50.1 | 172.6 | -52.9 | 0 | 0 | 0 | 0 | 112.7 | H490 I494 C545 A546 R547 I551 L552 L553 | H490-S549 PolarHBondContact CE1-OG 2.96Å; H490-S549 VanDerWaalsContact CE1-OG 3.24Å; H490-S549 PolarHBondContact NE2-OG 3.45Å; H490-S549 VanDerWaalsContact NE2-OG 3.1Å; I494-S549 VanDerWaalsContact CD1-OG 3.27Å; I494-S549 WeakPolarHBondContact CD1-OG 3.24Å; C545-S549 PolarHBondContact O-N 3.34Å; C545-S549 PolarHBondContact O-OG 3.18Å; A546-S549 WeakPolarHBondContact O-CB 3.48Å; A546-S549 PolarHBondContact O-N 3.4Å; R547-S549 VanDerWaalsContact C-N 3.29Å; R547-S549 PolarHBondContact O-N 3.01Å; S549-I551 VanDerWaalsContact C-N 3.33Å; S549-I551 PolarHBondContact O-N 3.5Å; S549-L552 PolarHBondContact O-N 2.9Å; S549-L553 WeakPolarHBondContact O-CG 3.42Å; S549-L553 PolarHBondContact O-N 3.12Å |
| 550 | L | 81 | Confident | 74.1 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 179.4 | -68.3 | 179 | 0 | 0 | 0 | 111.8 | F518 F519 F522 A546 R547 L553 L554 L592 | F518-L550 HydrophobicContact CB-CD2 3.75Å; F518-L550 HydrophobicContact CB-CG 4.03Å; F519-L550 HydrophobicContact CD1-CD1 4.21Å; F519-L550 HydrophobicContact CD2-CD1 4.42Å; F519-L550 HydrophobicContact CD2-CD2 3.89Å; F519-L550 HydrophobicContact CE1-CD1 4.23Å; F519-L550 HydrophobicContact CE1-CD2 4.36Å; F519-L550 HydrophobicContact CE2-CD1 4.44Å; F519-L550 HydrophobicContact CE2-CD2 3.39Å; F519-L550 HydrophobicContact CG-CD1 4.32Å; F519-L550 HydrophobicContact CZ-CD1 4.34Å; F519-L550 HydrophobicContact CZ-CD2 3.67Å; F522-L550 HydrophobicContact CD2-CD1 4Å; F522-L550 HydrophobicContact CE2-CD1 3.74Å; A546-L550 WeakPolarHBondContact O-CG 3.47Å; A546-L550 PolarHBondContact O-N 3.32Å; R547-L550 PolarHBondContact O-N 3.42Å; L550-L553 HydrophobicContact CD2-CD1 4.39Å; L550-L553 PolarHBondContact O-N 3.02Å; L550-L554 WeakPolarHBondContact O-CB 3.42Å; L550-L554 PolarHBondContact O-N 3.1Å; L550-L592 HydrophobicContact CB-CD1 3.96Å; L550-L592 HydrophobicContact CD1-CD1 3.7Å; L550-L592 HydrophobicContact CG-CD1 4.47Å |
| 551 | I | 81.5 | Confident | 75.8 | Confident | 13 Ų | 13 | 20.2 Ų | 20.2 | 7% | 0.067 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 172.2 | -69.6 | 164.6 | 0 | 0 | 0 | 111.1 | R547 N548 S549 R555 L596 | R547-I551 HydrophobicContact CG-CD1 3.87Å; R547-I551 WeakPolarHBondContact O-CD1 3.44Å; R547-I551 VanDerWaalsContact O-CG1 3.27Å; R547-I551 WeakPolarHBondContact O-CG1 3.26Å; R547-I551 PolarHBondContact O-N 3.39Å; N548-I551 PolarHBondContact O-N 2.96Å; S549-I551 VanDerWaalsContact C-N 3.33Å; S549-I551 PolarHBondContact O-N 3.5Å; I551-R555 HydrophobicContact CG2-CG 4.39Å; I551-R555 VanDerWaalsContact O-CB 3.23Å; I551-R555 WeakPolarHBondContact O-CB 3.48Å; I551-R555 WeakPolarHBondContact O-CG 3.36Å; I551-R555 PolarHBondContact O-N 3.47Å; I551-L596 HydrophobicContact CB-CD2 4.38Å; I551-L596 HydrophobicContact CG1-CD2 4.1Å |
| 552 | L | 77.4 | Confident | 76.9 | Confident | 12 Ų | 12 | 19.1 Ų | 19.1 | 6% | 0.063 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 178.6 | -129.8 | 100.1 | 0 | 0 | 0 | 112.3 | E491 I494 L495 I498 N548 S549 R555 S556 | E491-L552 HydrophobicContact CG-CD1 4.01Å; E491-L552 HydrophobicContact CG-CD2 4.04Å; I494-L552 HydrophobicContact CB-CD2 4.13Å; I494-L552 HydrophobicContact CG2-CB 4.08Å; I494-L552 HydrophobicContact CG2-CD2 3.81Å; L495-L552 HydrophobicContact CD2-CD2 4.47Å; L495-L552 HydrophobicContact CG-CD2 4.26Å; I498-L552 HydrophobicContact CD1-CD2 4.18Å; N548-L552 PolarHBondContact O-N 2.95Å; S549-L552 PolarHBondContact O-N 2.9Å; L552-R555 PolarHBondContact O-N 2.93Å; L552-S556 PolarHBondContact O-N 2.93Å |
| 553 | L | 81.4 | Confident | 77.8 | Confident | 6 Ų | 6 | 17.4 Ų | 17.4 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.1 | -53.4 | 177.6 | -73.9 | 165.9 | 0 | 0 | 0 | 111 | I494 I498 L501 F518 S549 L550 R555 S556 G559 F563 | I494-L553 HydrophobicContact CG2-CD2 4.47Å; I494-L553 HydrophobicContact CG2-CG 4.39Å; I498-L553 HydrophobicContact CD1-CD2 4.41Å; I498-L553 HydrophobicContact CG1-CD2 3.84Å; L501-L553 HydrophobicContact CD1-CD2 4.1Å; F518-L553 HydrophobicContact CD2-CD1 4.38Å; S549-L553 WeakPolarHBondContact O-CG 3.42Å; S549-L553 PolarHBondContact O-N 3.12Å; L550-L553 HydrophobicContact CD2-CD1 4.39Å; L550-L553 PolarHBondContact O-N 3.02Å; L553-R555 PolarHBondContact O-N 2.72Å; L553-S556 WeakPolarHBondContact O-CB 3.29Å; L553-S556 PolarHBondContact O-N 3.32Å; L553-S556 PolarHBondContact O-OG 3.44Å; L553-G559 WeakPolarHBondContact O-CA 3.46Å; L553-F563 HydrophobicContact CB-CE2 4.23Å |
| 554 | L | 83.3 | Confident | 78.2 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -70.1 | -15.6 | -179.6 | -73.2 | 165.5 | 0 | 0 | 0 | 113.9 | L550 I560 F563 L571 L596 Y710 L714 | L550-L554 WeakPolarHBondContact O-CB 3.42Å; L550-L554 PolarHBondContact O-N 3.1Å; L554-I560 WeakPolarHBondContact O-CD1 3.33Å; L554-I560 WeakPolarHBondContact O-CG1 3.29Å; L554-F563 HydrophobicContact CD2-CB 4.29Å; L554-F563 HydrophobicContact CD2-CD2 3.43Å; L554-F563 VanDerWaalsContact CD2-CD2 3.43Å; L554-F563 HydrophobicContact CD2-CE2 3.99Å; L554-F563 HydrophobicContact CD2-CG 4.01Å; L554-F563 HydrophobicContact CG-CD2 4.05Å; L554-F563 HydrophobicContact CG-CE2 4.1Å; L554-L571 HydrophobicContact CD1-CD2 4.37Å; L554-L596 HydrophobicContact CB-CD2 3.63Å; L554-L596 HydrophobicContact CD1-CD1 3.9Å; L554-L596 HydrophobicContact CD1-CD2 3.96Å; L554-L596 HydrophobicContact CG-CD2 4.46Å; L554-Y710 PolarHBondContact O-OH 3.17Å; L554-L714 HydrophobicContact CD2-CD1 4.43Å |
| 555 | R | 79.4 | Confident | 78.5 | Confident | 26 Ų | 26 | 15.6 Ų | 15.6 | 10% | 0.098 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -82.4 | -12.7 | 168 | -77.9 | 176.4 | 179.9 | -154.1 | 5.3 | 113.9 | I551 L552 L553 G595 Y710 F1443 | I551-R555 HydrophobicContact CG2-CG 4.39Å; I551-R555 VanDerWaalsContact O-CB 3.23Å; I551-R555 WeakPolarHBondContact O-CB 3.48Å; I551-R555 WeakPolarHBondContact O-CG 3.36Å; I551-R555 PolarHBondContact O-N 3.47Å; L552-R555 PolarHBondContact O-N 2.93Å; L553-R555 PolarHBondContact O-N 2.72Å; R555-G595 PolarHBondContact NH2-O 3.49Å; R555-Y710 WeakPolarHBondContact CA-OH 3.41Å; R555-Y710 WeakPolarHBondContact CG-OH 3.17Å; R555-F1443 HydrophobicContact CB-CB 3.95Å; R555-F1443 HydrophobicContact CB-CD1 3.74Å; R555-F1443 HydrophobicContact CB-CG 4.05Å; R555-F1443 HydrophobicContact CG-CD1 4.1Å; R555-F1443 VanDerWaalsContact O-CD1 3.29Å; R555-F1443 WeakPolarHBondContact O-CD1 3.25Å; R555-F1443 VanDerWaalsContact O-CD2 3.26Å; R555-F1443 WeakPolarHBondContact O-CD2 3.45Å; R555-F1443 WeakPolarHBondContact O-CG 3.43Å |
| 556 | S | 79.5 | Confident | 78.6 | Confident | 15 Ų | 15 | 19 Ų | 19 | 11% | 0.105 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -94.8 | 140.5 | 179.1 | 77.5 | 0 | 0 | 0 | 0 | 111.7 | L552 L553 G559 I560 | L552-S556 PolarHBondContact O-N 2.93Å; L553-S556 WeakPolarHBondContact O-CB 3.29Å; L553-S556 PolarHBondContact O-N 3.32Å; L553-S556 PolarHBondContact O-OG 3.44Å; S556-G559 PolarHBondContact O-N 3.37Å; S556-G559 PolarHBondContact OG-N 3.38Å; S556-I560 PolarHBondContact O-N 3.23Å |
| 557 | W | 80.4 | Confident | 78.5 | Confident | 17 Ų | 17 | 19.1 Ų | 19.1 | 6% | 0.064 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.2 | -43.5 | 173.9 | -62.3 | 118 | 0 | 0 | 0 | 113.2 | G559 I560 F561 Y710 I713 F1439 A1646 I1650 | W557-G559 PolarHBondContact O-N 2.93Å; W557-I560 PolarHBondContact O-N 3.1Å; W557-F561 WeakPolarHBondContact O-CD2 3.36Å; W557-F561 PolarHBondContact O-N 3.14Å; W557-Y710 HydrophobicContact CH2-CD2 4.39Å; W557-I713 HydrophobicContact CZ3-CD1 4.22Å; W557-F1439 HydrophobicContact CZ2-CE1 4.12Å; W557-A1646 HydrophobicContact CB-CB 3.92Å; W557-A1646 HydrophobicContact CD2-CB 3.51Å; W557-A1646 HydrophobicContact CE3-CB 3.91Å; W557-A1646 HydrophobicContact CG-CB 3.52Å; W557-I1650 HydrophobicContact CH2-CD1 4.18Å; W557-I1650 HydrophobicContact CZ2-CD1 3.77Å |
| 558 | P | 78.4 | Confident | 78.6 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.013 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 175.4 | -24.9 | 36.6 | 0 | 0 | 0 | 113.4 | I498 L501 N502 F561 H562 M1642 | I498-P558 HydrophobicContact CG2-CB 4.27Å; I498-P558 HydrophobicContact CG2-CG 3.98Å; L501-P558 HydrophobicContact CB-CB 3.98Å; N502-P558 HydrophobicContact CB-CB 4.24Å; N502-P558 HydrophobicContact CB-CG 3.73Å; P558-F561 PolarHBondContact O-N 2.98Å; P558-H562 WeakPolarHBondContact O-CB 3.45Å; P558-H562 PolarHBondContact O-N 2.86Å; P558-M1642 HydrophobicContact CB-CB 4.23Å; P558-M1642 HydrophobicContact CG-CB 4.31Å |
| 559 | G | 79 | Confident | 78.9 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L553 S556 W557 F561 H562 F563 | L553-G559 WeakPolarHBondContact O-CA 3.46Å; S556-G559 PolarHBondContact O-N 3.37Å; S556-G559 PolarHBondContact OG-N 3.38Å; W557-G559 PolarHBondContact O-N 2.93Å; G559-F561 PolarHBondContact O-N 3.5Å; G559-H562 PolarHBondContact O-N 2.88Å; G559-F563 WeakPolarHBondContact O-CD2 3.3Å; G559-F563 PolarHBondContact O-N 2.96Å |
| 560 | I | 82.4 | Confident | 79.1 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.5 | -51.6 | 173.8 | -74.1 | -178.5 | 0 | 0 | 0 | 110.9 | L554 S556 W557 H562 F563 I564 Y710 I713 | L554-I560 WeakPolarHBondContact O-CD1 3.33Å; L554-I560 WeakPolarHBondContact O-CG1 3.29Å; S556-I560 PolarHBondContact O-N 3.23Å; W557-I560 PolarHBondContact O-N 3.1Å; I560-H562 VanDerWaalsContact C-N 3.34Å; I560-H562 PolarHBondContact O-N 2.75Å; I560-F563 CarbonylContact O-C 3.51Å; I560-F563 PolarHBondContact O-N 2.93Å; I560-F563 VanDerWaalsContact O-N 3.17Å; I560-I564 HydrophobicContact CG2-CD1 3.77Å; I560-I564 HydrophobicContact CG2-CG1 4.42Å; I560-I564 WeakPolarHBondContact O-CG1 3.43Å; I560-I564 PolarHBondContact O-N 3.37Å; I560-Y710 HydrophobicContact CD1-CD2 3.88Å; I560-Y710 HydrophobicContact CD1-CE2 3.54Å; I560-I713 HydrophobicContact CG2-CG2 3.57Å |
| 561 | F | 80.6 | Confident | 79.2 | Confident | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.7 | -32.5 | -178.7 | -74.2 | -61.5 | 0 | 0 | 0 | 113.5 | W557 P558 G559 I564 H565 M1642 R1645 A1646 F1700 | W557-F561 WeakPolarHBondContact O-CD2 3.36Å; W557-F561 PolarHBondContact O-N 3.14Å; P558-F561 PolarHBondContact O-N 2.98Å; G559-F561 PolarHBondContact O-N 3.5Å; F561-I564 HydrophobicContact CD1-CD1 3.85Å; F561-I564 HydrophobicContact CE1-CD1 4.26Å; F561-I564 PolarHBondContact O-N 3.2Å; F561-H565 PolarHBondContact O-N 3.25Å; F561-M1642 HydrophobicContact CB-CB 4.5Å; F561-M1642 HydrophobicContact CB-CE 4.25Å; F561-M1642 HydrophobicContact CB-CG 4.23Å; F561-M1642 HydrophobicContact CB-SD 3.56Å; F561-M1642 VanDerWaalsContact CB-SD 3.56Å; F561-M1642 HydrophobicContact CD2-CB 4.06Å; F561-M1642 HydrophobicContact CD2-SD 4.3Å; F561-M1642 HydrophobicContact CG-SD 4.09Å; F561-R1645 HydrophobicContact CE2-CB 3.92Å; F561-R1645 HydrophobicContact CZ-CB 3.91Å; F561-A1646 HydrophobicContact CE2-CB 4.07Å; F561-F1700 AromaticContact CD1-CE1 3.68Å; F561-F1700 HydrophobicContact CD1-CE1 3.68Å; F561-F1700 HydrophobicContact CD1-CZ 4.13Å; F561-F1700 AromaticContact CE1-CE1 3.79Å; F561-F1700 HydrophobicContact CE1-CE1 3.79Å; F561-F1700 AromaticContact CE1-CZ 3.73Å; F561-F1700 HydrophobicContact CE1-CZ 3.73Å |
| 562 | H | 79.6 | Confident | 79.5 | Confident | 6 Ų | 6 | 22.2 Ų | 22.2 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.8 | -43 | 170.4 | 174.2 | 67.1 | 0 | 0 | 0 | 112.1 | N512 I515 P558 G559 I560 I564 H565 D566 G567 | N512-H562 PolarHBondContact OD1-CE1 2.83Å; I515-H562 WeakPolarHBondContact CD1-NE2 3.49Å; P558-H562 WeakPolarHBondContact O-CB 3.45Å; P558-H562 PolarHBondContact O-N 2.86Å; G559-H562 PolarHBondContact O-N 2.88Å; I560-H562 VanDerWaalsContact C-N 3.34Å; I560-H562 PolarHBondContact O-N 2.75Å; H562-I564 VanDerWaalsContact C-N 3.29Å; H562-I564 PolarHBondContact O-N 3.32Å; H562-H565 PolarHBondContact O-N 3.48Å; H562-D566 IonicContact ND1-OD2 2.71Å; H562-D566 PolarHBondContact O-N 3.43Å; H562-G567 PolarHBondContact O-N 3.42Å |
| 563 | F | 78.5 | Confident | 79.8 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72 | -19.6 | 176.1 | -76.9 | -62.2 | 0 | 0 | 0 | 114.3 | I515 F519 L553 L554 G559 I560 L568 L571 | I515-F563 HydrophobicContact CG2-CE1 4.41Å; I515-F563 HydrophobicContact CG2-CZ 3.98Å; F519-F563 AromaticContact CE2-CE1 3.78Å; F519-F563 HydrophobicContact CE2-CE1 3.78Å; F519-F563 AromaticContact CE2-CZ 3.79Å; F519-F563 HydrophobicContact CE2-CZ 3.79Å; F519-F563 AromaticContact CZ-CE1 3.53Å; F519-F563 HydrophobicContact CZ-CE1 3.53Å; F519-F563 AromaticContact CZ-CZ 3.7Å; F519-F563 HydrophobicContact CZ-CZ 3.7Å; L553-F563 HydrophobicContact CB-CE2 4.23Å; L554-F563 HydrophobicContact CD2-CB 4.29Å; L554-F563 HydrophobicContact CD2-CD2 3.43Å; L554-F563 VanDerWaalsContact CD2-CD2 3.43Å; L554-F563 HydrophobicContact CD2-CE2 3.99Å; L554-F563 HydrophobicContact CD2-CG 4.01Å; L554-F563 HydrophobicContact CG-CD2 4.05Å; L554-F563 HydrophobicContact CG-CE2 4.1Å; G559-F563 WeakPolarHBondContact O-CD2 3.3Å; G559-F563 PolarHBondContact O-N 2.96Å; I560-F563 CarbonylContact O-C 3.51Å; I560-F563 PolarHBondContact O-N 2.93Å; I560-F563 VanDerWaalsContact O-N 3.17Å; F563-L568 WeakPolarHBondContact O-CA 3.39Å; F563-L568 PolarHBondContact O-N 2.7Å; F563-L568 VanDerWaalsContact O-N 3.12Å; F563-L571 HydrophobicContact CB-CD1 3.81Å; F563-L571 HydrophobicContact CD1-CD1 4.16Å; F563-L571 HydrophobicContact CD1-CD2 4.47Å; F563-L571 HydrophobicContact CD1-CG 3.94Å; F563-L571 HydrophobicContact CG-CD1 4.13Å; F563-L571 HydrophobicContact CG-CG 4.37Å |
| 564 | I | 75.6 | Confident | 80.1 | Confident | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.7 | -51 | 170.6 | -76.4 | 168 | 0 | 0 | 0 | 110.9 | I560 F561 H562 I713 T717 F1700 Y1701 | I560-I564 HydrophobicContact CG2-CD1 3.77Å; I560-I564 HydrophobicContact CG2-CG1 4.42Å; I560-I564 WeakPolarHBondContact O-CG1 3.43Å; I560-I564 PolarHBondContact O-N 3.37Å; F561-I564 HydrophobicContact CD1-CD1 3.85Å; F561-I564 HydrophobicContact CE1-CD1 4.26Å; F561-I564 PolarHBondContact O-N 3.2Å; H562-I564 VanDerWaalsContact C-N 3.29Å; H562-I564 PolarHBondContact O-N 3.32Å; I564-I713 HydrophobicContact CD1-CG2 4.1Å; I564-T717 HydrophobicContact CD1-CG2 3.82Å; I564-T717 HydrophobicContact CG1-CG2 3.34Å; I564-F1700 HydrophobicContact CG2-CB 3.47Å; I564-F1700 VanDerWaalsContact CG2-CB 3.47Å; I564-F1700 HydrophobicContact CG2-CD1 3.39Å; I564-F1700 HydrophobicContact CG2-CE1 4.36Å; I564-F1700 HydrophobicContact CG2-CG 3.65Å; I564-Y1701 HydrophobicContact CG2-CE1 4.35Å; I564-Y1701 HydrophobicContact CG2-CE2 4.48Å; I564-Y1701 WeakPolarHBondContact O-CE1 3.18Å |
| 565 | H | 72.8 | Confident | 80.3 | Confident | 74 Ų | 74 | 25.1 Ų | 25.1 | 34% | 0.343 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -87.9 | -77.2 | -177 | -67.7 | -58.9 | 0 | 0 | 0 | 112.4 | F561 H562 F1700 | F561-H565 PolarHBondContact O-N 3.25Å; H562-H565 PolarHBondContact O-N 3.48Å; H565-F1700 AromaticContact CE1-CD1 3.33Å; H565-F1700 WeakPolarHBondContact CE1-CD1 3.45Å; H565-F1700 PolarHBondContact CE1-O 3.44Å; H565-F1700 PolarHBondContact ND1-O 2.87Å; H565-F1700 AromaticContact NE2-CD1 3.4Å; H565-F1700 WeakPolarHBondContact NE2-CD1 3.49Å; H565-F1700 AromaticContact NE2-CE1 3.77Å |
| 566 | D | 72.6 | Confident | 80.6 | Confident | 85 Ų | 85 | 31.7 Ų | 31.7 | 46% | 0.455 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -34.6 | -166.8 | -52.8 | -60 | 0 | 0 | 0 | 112.5 | N512 H562 | N512-D566 PolarHBondContact ND2-O 2.82Å; H562-D566 IonicContact ND1-OD2 2.71Å; H562-D566 PolarHBondContact O-N 3.43Å |
| 567 | G | 72.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -84.8 | -9.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H562 P569 T570 L571 | H562-G567 PolarHBondContact O-N 3.42Å; G567-P569 VanDerWaalsContact C-CD 3.44Å; G567-T570 WeakPolarHBondContact O-CB 3.41Å; G567-T570 PolarHBondContact O-N 3.08Å; G567-T570 PolarHBondContact O-OG1 2.77Å; G567-L571 PolarHBondContact O-N 3.34Å |
| 568 | L | 81.8 | Confident | 81.2 | Confident | 21 Ų | 21 | 31.3 Ų | 31.3 | 11% | 0.11 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -51.8 | -42.7 | -174.5 | -169.1 | 79.6 | 0 | 0 | 0 | 113.9 | F563 T570 L571 Q572 A721 Y1701 | F563-L568 WeakPolarHBondContact O-CA 3.39Å; F563-L568 PolarHBondContact O-N 2.7Å; F563-L568 VanDerWaalsContact O-N 3.12Å; L568-T570 PolarHBondContact O-N 2.92Å; L568-L571 PolarHBondContact O-N 2.88Å; L568-L571 VanDerWaalsContact O-N 3.16Å; L568-Q572 HydrophobicContact CG-CG 4.5Å; L568-Q572 WeakPolarHBondContact O-CG 3.39Å; L568-Q572 PolarHBondContact O-N 2.7Å; L568-A721 HydrophobicContact CD1-CB 4.16Å; L568-Y1701 HydrophobicContact CD1-CE1 4.21Å; L568-Y1701 HydrophobicContact CD2-CD1 4.19Å; L568-Y1701 HydrophobicContact CD2-CE1 3.83Å |
| 569 | P | 81 | Confident | 81.3 | Confident | 74 Ų | 74 | 31.6 Ų | 31.6 | 48% | 0.481 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61 | -28.2 | 176.8 | -24 | 36.2 | 0 | 0 | 0 | 113.5 | G567 T573 | G567-P569 VanDerWaalsContact C-CD 3.44Å; P569-T573 PolarHBondContact O-N 3.43Å; P569-T573 PolarHBondContact O-OG1 2.75Å |
| 570 | T | 81.3 | Confident | 81.4 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 14% | 0.141 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74.6 | -36.1 | 177.7 | 69.5 | 0 | 0 | 0 | 0 | 112 | G567 L568 T573 L574 | G567-T570 WeakPolarHBondContact O-CB 3.41Å; G567-T570 PolarHBondContact O-N 3.08Å; G567-T570 PolarHBondContact O-OG1 2.77Å; L568-T570 PolarHBondContact O-N 2.92Å; T570-T573 WeakPolarHBondContact CA-OG1 3.28Å; T570-T573 PolarHBondContact O-N 3.33Å; T570-T573 PolarHBondContact O-OG1 2.76Å; T570-L574 PolarHBondContact O-N 3.2Å |
| 571 | L | 84.4 | Confident | 81 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -40.4 | 170.2 | -72.2 | 179.6 | 0 | 0 | 0 | 111.7 | F519 L554 F563 G567 L568 T573 L574 L575 L718 A721 | F519-L571 HydrophobicContact CE1-CD2 4.15Å; F519-L571 HydrophobicContact CZ-CD2 4.29Å; L554-L571 HydrophobicContact CD1-CD2 4.37Å; F563-L571 HydrophobicContact CB-CD1 3.81Å; F563-L571 HydrophobicContact CD1-CD1 4.16Å; F563-L571 HydrophobicContact CD1-CD2 4.47Å; F563-L571 HydrophobicContact CD1-CG 3.94Å; F563-L571 HydrophobicContact CG-CD1 4.13Å; F563-L571 HydrophobicContact CG-CG 4.37Å; G567-L571 PolarHBondContact O-N 3.34Å; L568-L571 PolarHBondContact O-N 2.88Å; L568-L571 VanDerWaalsContact O-N 3.16Å; L571-T573 VanDerWaalsContact C-N 3.34Å; L571-T573 PolarHBondContact O-N 2.71Å; L571-L574 WeakPolarHBondContact O-CB 3.32Å; L571-L574 PolarHBondContact O-N 2.99Å; L571-L574 VanDerWaalsContact O-N 3.16Å; L571-L575 WeakPolarHBondContact O-CG 3.34Å; L571-L575 PolarHBondContact O-N 3.41Å; L571-L718 HydrophobicContact CD1-CD2 4.29Å; L571-A721 HydrophobicContact CB-CB 3.91Å |
| 572 | Q | 86.7 | Confident | 81 | Confident | 85 Ų | 85 | 41.2 Ų | 41.2 | 40% | 0.397 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 174 | -73.2 | 173.1 | -13.1 | 0 | 0 | 111.3 | L568 L574 L575 Y576 A721 | L568-Q572 HydrophobicContact CG-CG 4.5Å; L568-Q572 WeakPolarHBondContact O-CG 3.39Å; L568-Q572 PolarHBondContact O-N 2.7Å; Q572-L574 PolarHBondContact O-N 3.32Å; Q572-L575 PolarHBondContact O-N 2.92Å; Q572-Y576 VanDerWaalsContact O-CB 3.27Å; Q572-Y576 WeakPolarHBondContact O-CB 3.47Å; Q572-Y576 PolarHBondContact O-N 3.29Å; Q572-A721 HydrophobicContact CG-CB 3.94Å |
| 573 | T | 84.7 | Confident | 81.2 | Confident | 72 Ų | 72 | 43.6 Ų | 43.6 | 44% | 0.442 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.5 | -35.8 | 173.8 | 47.1 | 0 | 0 | 0 | 0 | 113.5 | P569 T570 L571 Y576 T577 | P569-T573 PolarHBondContact O-N 3.43Å; P569-T573 PolarHBondContact O-OG1 2.75Å; T570-T573 WeakPolarHBondContact CA-OG1 3.28Å; T570-T573 PolarHBondContact O-N 3.33Å; T570-T573 PolarHBondContact O-OG1 2.76Å; L571-T573 VanDerWaalsContact C-N 3.34Å; L571-T573 PolarHBondContact O-N 2.71Å; T573-Y576 PolarHBondContact O-N 2.87Å; T573-T577 WeakPolarHBondContact O-CG2 3.38Å; T573-T577 PolarHBondContact O-N 3.48Å; T573-T577 PolarHBondContact O-OG1 3.37Å |
| 574 | L | 87.5 | Confident | 81.3 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 175.5 | -178.2 | 66 | 0 | 0 | 0 | 112.3 | F519 F522 T570 L571 Q572 T577 L578 I589 | F519-L574 HydrophobicContact CD1-CB 4.03Å; F519-L574 HydrophobicContact CD1-CD1 4.32Å; F519-L574 HydrophobicContact CD1-CD2 4.12Å; F519-L574 HydrophobicContact CD1-CG 4.39Å; F519-L574 HydrophobicContact CE1-CB 4.14Å; F519-L574 HydrophobicContact CE1-CD2 3.83Å; F519-L574 HydrophobicContact CE1-CG 4.48Å; F522-L574 HydrophobicContact CB-CD1 3.4Å; F522-L574 VanDerWaalsContact CB-CD1 3.4Å; F522-L574 HydrophobicContact CD2-CD1 4.49Å; F522-L574 HydrophobicContact CG-CD1 4.02Å; T570-L574 PolarHBondContact O-N 3.2Å; L571-L574 WeakPolarHBondContact O-CB 3.32Å; L571-L574 PolarHBondContact O-N 2.99Å; L571-L574 VanDerWaalsContact O-N 3.16Å; Q572-L574 PolarHBondContact O-N 3.32Å; L574-T577 PolarHBondContact O-N 3Å; L574-T577 PolarHBondContact O-OG1 3.34Å; L574-L578 PolarHBondContact O-N 2.89Å; L574-L578 VanDerWaalsContact O-N 3.08Å; L574-I589 HydrophobicContact CD1-CD1 3.96Å; L574-I589 HydrophobicContact CD1-CG1 3.9Å; L574-I589 HydrophobicContact CD1-CG2 4.27Å; L574-I589 HydrophobicContact CG-CG2 4.31Å |
| 575 | L | 87.8 | Confident | 81.7 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.9 | -33.3 | 178.9 | -66.3 | 170.4 | 0 | 0 | 0 | 111.1 | L571 Q572 L578 G579 L718 A721 L723 A726 | L571-L575 WeakPolarHBondContact O-CG 3.34Å; L571-L575 PolarHBondContact O-N 3.41Å; Q572-L575 PolarHBondContact O-N 2.92Å; L575-L578 HydrophobicContact CD2-CD2 4.39Å; L575-L578 WeakPolarHBondContact O-CB 3.43Å; L575-L578 PolarHBondContact O-N 3.42Å; L575-G579 PolarHBondContact O-N 3.42Å; L575-L718 WeakPolarHBondContact CD1-O 3.41Å; L575-A721 HydrophobicContact CD1-CB 3.67Å; L575-A721 WeakPolarHBondContact CD1-O 3.48Å; L575-L723 HydrophobicContact CD1-CB 4.33Å; L575-L723 HydrophobicContact CD2-CD1 3.85Å; L575-A726 HydrophobicContact CB-CB 4.1Å; L575-A726 WeakPolarHBondContact O-CB 3.47Å |
| 576 | Y | 86.1 | Confident | 82.4 | Confident | 164 Ų | 164 | 47.4 Ų | 47.4 | 64% | 0.643 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.5 | -41.5 | 168.8 | -172.7 | -99.8 | 0 | 0 | 0 | 112.2 | Q572 T573 L578 G579 V580 | Q572-Y576 VanDerWaalsContact O-CB 3.27Å; Q572-Y576 WeakPolarHBondContact O-CB 3.47Å; Q572-Y576 PolarHBondContact O-N 3.29Å; T573-Y576 PolarHBondContact O-N 2.87Å; Y576-L578 VanDerWaalsContact C-N 3.35Å; Y576-L578 PolarHBondContact O-N 2.77Å; Y576-G579 WeakPolarHBondContact O-CA 3.5Å; Y576-G579 PolarHBondContact O-N 2.97Å; Y576-G579 VanDerWaalsContact O-N 3.1Å; Y576-V580 HydrophobicContact CD1-CG2 4.3Å; Y576-V580 HydrophobicContact CD2-CG2 4.46Å; Y576-V580 HydrophobicContact CE1-CB 4.43Å; Y576-V580 HydrophobicContact CE1-CG2 3.85Å; Y576-V580 HydrophobicContact CE2-CG2 4.02Å; Y576-V580 PolarHBondContact O-N 3.49Å |
| 577 | T | 85.8 | Confident | 83 | Confident | 25 Ų | 25 | 45 Ų | 45 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.7 | -19.8 | 176.2 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | F522 T523 T573 L574 G581 | F522-T577 PolarHBondContact O-OG1 2.87Å; T523-T577 HydrophobicContact CG2-CG2 4.32Å; T573-T577 WeakPolarHBondContact O-CG2 3.38Å; T573-T577 PolarHBondContact O-N 3.48Å; T573-T577 PolarHBondContact O-OG1 3.37Å; L574-T577 PolarHBondContact O-N 3Å; L574-T577 PolarHBondContact O-OG1 3.34Å; T577-G581 WeakPolarHBondContact O-CA 3.36Å; T577-G581 PolarHBondContact O-N 3.35Å |
| 578 | L | 84.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 162.4 | 176.9 | 63.7 | 0 | 0 | 0 | 111.4 | L574 L575 Y576 R586 I589 L590 L593 A726 L727 A730 | L574-L578 PolarHBondContact O-N 2.89Å; L574-L578 VanDerWaalsContact O-N 3.08Å; L575-L578 HydrophobicContact CD2-CD2 4.39Å; L575-L578 WeakPolarHBondContact O-CB 3.43Å; L575-L578 PolarHBondContact O-N 3.42Å; Y576-L578 VanDerWaalsContact C-N 3.35Å; Y576-L578 PolarHBondContact O-N 2.77Å; L578-R586 HydrophobicContact CD1-CB 4.21Å; L578-R586 HydrophobicContact CD1-CG 4.19Å; L578-R586 WeakPolarHBondContact O-CG 3.47Å; L578-R586 PolarHBondContact O-NE 3.34Å; L578-I589 HydrophobicContact CB-CD1 4.13Å; L578-I589 HydrophobicContact CB-CG2 4.08Å; L578-I589 HydrophobicContact CD1-CB 4.24Å; L578-I589 HydrophobicContact CD1-CG2 4.24Å; L578-I589 HydrophobicContact CD2-CG2 4.26Å; L578-I589 HydrophobicContact CG-CG2 4.43Å; L578-L590 HydrophobicContact CD1-CD2 4.38Å; L578-L590 HydrophobicContact CD1-CG 4.1Å; L578-L593 HydrophobicContact CD2-CD1 3.91Å; L578-A726 HydrophobicContact CB-CB 4.31Å; L578-A726 HydrophobicContact CD2-CB 4.04Å; L578-A726 HydrophobicContact CG-CB 4.28Å; L578-L727 HydrophobicContact CD2-CD2 4.14Å; L578-A730 HydrophobicContact CD1-CB 4.17Å; L578-A730 HydrophobicContact CG-CB 4.41Å |
| 579 | G | 81 | Confident | 83.8 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L575 Y576 R586 | L575-G579 PolarHBondContact O-N 3.42Å; Y576-G579 WeakPolarHBondContact O-CA 3.5Å; Y576-G579 PolarHBondContact O-N 2.97Å; Y576-G579 VanDerWaalsContact O-N 3.1Å; G579-R586 PolarHBondContact O-NH2 3.29Å |
| 580 | V | 81.1 | Confident | 84.1 | Confident | 88 Ų | 88 | 42.6 Ų | 42.6 | 53% | 0.533 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -100 | -25.3 | -170.2 | -179.9 | 0 | 0 | 0 | 0 | 114 | Y576 | Y576-V580 HydrophobicContact CD1-CG2 4.3Å; Y576-V580 HydrophobicContact CD2-CG2 4.46Å; Y576-V580 HydrophobicContact CE1-CB 4.43Å; Y576-V580 HydrophobicContact CE1-CG2 3.85Å; Y576-V580 HydrophobicContact CE2-CG2 4.02Å; Y576-V580 PolarHBondContact O-N 3.49Å |
| 581 | G | 74.7 | Confident | 84.3 | Confident | 15 Ų | 15 | 43 Ų | 43 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -75.3 | 165.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | T577 R586 | T577-G581 WeakPolarHBondContact O-CA 3.36Å; T577-G581 PolarHBondContact O-N 3.35Å; G581-R586 WeakPolarHBondContact O-CD 3.44Å; G581-R586 VanDerWaalsContact O-CZ 3.32Å; G581-R586 PolarHBondContact O-NE 3.24Å; G581-R586 VanDerWaalsContact O-NE 3.12Å |
| 582 | N | 79.6 | Confident | 84.4 | Confident | 106 Ų | 106 | 43 Ų | 43 | 57% | 0.567 | 22% | 0.224 | S | C | * | . | trans | -59.3 | 155.5 | 177.9 | -70.2 | 1.7 | 0 | 0 | 0 | 112.7 | E584 I585 R586 | N582-E584 PolarHBondContact O-N 3.3Å; N582-E584 VanDerWaalsContact O-N 3.1Å; N582-I585 PolarHBondContact O-N 2.96Å; N582-R586 PolarHBondContact O-N 2.76Å | ||
| 583 | T | 83.7 | Confident | 84.4 | Confident | 57 Ų | 57 | 39 Ų | 39 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -50.8 | -36.8 | -179.6 | 64.6 | 0 | 0 | 0 | 0 | 113.7 | N587 D733 N735 | T583-N587 WeakPolarHBondContact O-CB 3.37Å; T583-N587 PolarHBondContact O-N 3.12Å; T583-N587 PolarHBondContact O-ND2 3.15Å; T583-D733 VanDerWaalsContact CG2-OD1 3.29Å; T583-D733 WeakPolarHBondContact CG2-OD1 3.17Å; T583-N735 HydrophobicContact CG2-CB 4.18Å |
| 584 | E | 81.3 | Confident | 84.4 | Confident | 110 Ų | 110 | 36 Ų | 36 | 51% | 0.514 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.2 | -49.1 | 175.5 | -167.4 | -171.5 | 164.2 | 0 | 0 | 112 | N582 R586 N587 Q588 | N582-E584 PolarHBondContact O-N 3.3Å; N582-E584 VanDerWaalsContact O-N 3.1Å; E584-R586 VanDerWaalsContact C-N 3.32Å; E584-R586 PolarHBondContact O-N 2.7Å; E584-N587 PolarHBondContact O-N 3.19Å; E584-N587 VanDerWaalsContact O-N 3.09Å; E584-Q588 WeakPolarHBondContact O-CG 3.17Å; E584-Q588 PolarHBondContact O-N 3.32Å; E584-Q588 PolarHBondContact OE1-NE2 3.36Å |
| 585 | I | 83.5 | Confident | 84 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 178 | -60.4 | 174.6 | 0 | 0 | 0 | 109.7 | F522 N582 N587 Q588 I589 | F522-I585 WeakPolarHBondContact O-CG2 3.19Å; N582-I585 PolarHBondContact O-N 2.96Å; I585-N587 VanDerWaalsContact C-N 3.34Å; I585-N587 PolarHBondContact O-N 3.32Å; I585-Q588 PolarHBondContact O-N 3.15Å; I585-Q588 VanDerWaalsContact O-N 3.12Å; I585-I589 HydrophobicContact CG2-CD1 3.78Å; I585-I589 HydrophobicContact CG2-CG1 4.36Å; I585-I589 WeakPolarHBondContact O-CG1 3.45Å; I585-I589 PolarHBondContact O-N 3.01Å |
| 586 | R | 87.7 | Confident | 83.7 | Confident | 36 Ų | 36 | 36.5 Ų | 36.5 | 14% | 0.136 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.2 | -45.3 | 172.3 | -71.7 | 178.9 | 169.3 | 151.6 | 4.8 | 112 | L578 G579 G581 N582 E584 Q588 I589 L590 D733 T738 | L578-R586 HydrophobicContact CD1-CB 4.21Å; L578-R586 HydrophobicContact CD1-CG 4.19Å; L578-R586 WeakPolarHBondContact O-CG 3.47Å; L578-R586 PolarHBondContact O-NE 3.34Å; G579-R586 PolarHBondContact O-NH2 3.29Å; G581-R586 WeakPolarHBondContact O-CD 3.44Å; G581-R586 VanDerWaalsContact O-CZ 3.32Å; G581-R586 PolarHBondContact O-NE 3.24Å; G581-R586 VanDerWaalsContact O-NE 3.12Å; N582-R586 PolarHBondContact O-N 2.76Å; E584-R586 VanDerWaalsContact C-N 3.32Å; E584-R586 PolarHBondContact O-N 2.7Å; R586-Q588 VanDerWaalsContact C-N 3.34Å; R586-Q588 PolarHBondContact O-N 2.94Å; R586-I589 PolarHBondContact O-N 3.45Å; R586-L590 VanDerWaalsContact O-CB 3.32Å; R586-L590 WeakPolarHBondContact O-CB 3.46Å; R586-L590 VanDerWaalsContact O-CG 3.26Å; R586-L590 WeakPolarHBondContact O-CG 3.32Å; R586-L590 PolarHBondContact O-N 3.42Å; R586-D733 WeakPolarHBondContact CD-OD2 3.33Å; R586-D733 IonicContact CZ-OD2 3.61Å; R586-D733 IonicContact NE-OD2 3.13Å; R586-D733 VanDerWaalsContact NH1-CG 3.28Å; R586-D733 IonicContact NH1-OD2 2.76Å; R586-D733 PolarHBondContact NH1-OD2 3Å; R586-T738 HydrophobicContact CB-CG2 3.88Å |
| 587 | N | 85.9 | Confident | 83.4 | Confident | 33 Ų | 33 | 28.7 Ų | 28.7 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.9 | -33.8 | 176.3 | -85.9 | -72.1 | 0 | 0 | 0 | 113.2 | T583 E584 I585 S591 T738 R741 | T583-N587 WeakPolarHBondContact O-CB 3.37Å; T583-N587 PolarHBondContact O-N 3.12Å; T583-N587 PolarHBondContact O-ND2 3.15Å; E584-N587 PolarHBondContact O-N 3.19Å; E584-N587 VanDerWaalsContact O-N 3.09Å; I585-N587 VanDerWaalsContact C-N 3.34Å; I585-N587 PolarHBondContact O-N 3.32Å; N587-S591 VanDerWaalsContact O-CB 3.28Å; N587-S591 WeakPolarHBondContact O-CB 3.41Å; N587-S591 PolarHBondContact O-N 2.89Å; N587-S591 PolarHBondContact O-OG 2.99Å; N587-T738 PolarHBondContact ND2-OG1 3.37Å; N587-R741 PolarHBondContact OD1-NH1 3.23Å |
| 588 | Q | 83 | Confident | 82.4 | Confident | 47 Ų | 47 | 29.6 Ų | 29.6 | 22% | 0.22 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.8 | -45.9 | 173.8 | -66.9 | -173.7 | 31.7 | 0 | 0 | 111.3 | F522 E584 I585 R586 S591 L592 | F522-Q588 HydrophobicContact CD1-CB 4.15Å; F522-Q588 HydrophobicContact CE1-CB 4.09Å; E584-Q588 WeakPolarHBondContact O-CG 3.17Å; E584-Q588 PolarHBondContact O-N 3.32Å; E584-Q588 PolarHBondContact OE1-NE2 3.36Å; I585-Q588 PolarHBondContact O-N 3.15Å; I585-Q588 VanDerWaalsContact O-N 3.12Å; R586-Q588 VanDerWaalsContact C-N 3.34Å; R586-Q588 PolarHBondContact O-N 2.94Å; Q588-S591 CarbonylContact O-C 3.58Å; Q588-S591 PolarHBondContact O-N 3.1Å; Q588-L592 PolarHBondContact O-N 3.38Å |
| 589 | I | 87.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.1 | -43.4 | 178.3 | -60 | 167.9 | 0 | 0 | 0 | 111.6 | F522 L574 L578 I585 R586 S591 L592 L593 | F522-I589 HydrophobicContact CB-CD1 4.29Å; F522-I589 HydrophobicContact CB-CG1 3.97Å; F522-I589 HydrophobicContact CD1-CG1 3.94Å; F522-I589 HydrophobicContact CG-CG1 4.33Å; L574-I589 HydrophobicContact CD1-CD1 3.96Å; L574-I589 HydrophobicContact CD1-CG1 3.9Å; L574-I589 HydrophobicContact CD1-CG2 4.27Å; L574-I589 HydrophobicContact CG-CG2 4.31Å; L578-I589 HydrophobicContact CB-CD1 4.13Å; L578-I589 HydrophobicContact CB-CG2 4.08Å; L578-I589 HydrophobicContact CD1-CB 4.24Å; L578-I589 HydrophobicContact CD1-CG2 4.24Å; L578-I589 HydrophobicContact CD2-CG2 4.26Å; L578-I589 HydrophobicContact CG-CG2 4.43Å; I585-I589 HydrophobicContact CG2-CD1 3.78Å; I585-I589 HydrophobicContact CG2-CG1 4.36Å; I585-I589 WeakPolarHBondContact O-CG1 3.45Å; I585-I589 PolarHBondContact O-N 3.01Å; R586-I589 PolarHBondContact O-N 3.45Å; I589-S591 PolarHBondContact O-N 3.09Å; I589-L592 WeakPolarHBondContact O-CA 3.41Å; I589-L592 VanDerWaalsContact O-CB 3.28Å; I589-L592 WeakPolarHBondContact O-CB 3.49Å; I589-L592 PolarHBondContact O-N 3.25Å; I589-L593 PolarHBondContact O-N 2.65Å |
| 590 | L | 88.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.1 | -42.9 | 171.5 | -74.2 | 169.8 | 0 | 0 | 0 | 110.5 | L578 R586 L592 L593 Y594 L727 T738 R741 A742 L745 | L578-L590 HydrophobicContact CD1-CD2 4.38Å; L578-L590 HydrophobicContact CD1-CG 4.1Å; R586-L590 VanDerWaalsContact O-CB 3.32Å; R586-L590 WeakPolarHBondContact O-CB 3.46Å; R586-L590 VanDerWaalsContact O-CG 3.26Å; R586-L590 WeakPolarHBondContact O-CG 3.32Å; R586-L590 PolarHBondContact O-N 3.42Å; L590-L592 PolarHBondContact O-N 3.49Å; L590-L593 PolarHBondContact O-N 3.45Å; L590-L593 VanDerWaalsContact O-N 3.14Å; L590-Y594 VanDerWaalsContact O-CD2 3.24Å; L590-Y594 WeakPolarHBondContact O-CD2 3.36Å; L590-Y594 PolarHBondContact O-N 2.98Å; L590-L727 HydrophobicContact CD2-CD2 3.87Å; L590-T738 HydrophobicContact CD1-CG2 3.81Å; L590-R741 HydrophobicContact CD1-CB 4.15Å; L590-A742 HydrophobicContact CD1-CB 4.35Å; L590-A742 HydrophobicContact CD2-CB 4.28Å; L590-L745 HydrophobicContact CD2-CD2 4.03Å |
| 591 | S | 85 | Confident | 80.2 | Confident | 31 Ų | 31 | 27.1 Ų | 27.1 | 22% | 0.217 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.8 | -19.8 | 177.3 | -53.8 | 0 | 0 | 0 | 0 | 113.9 | N587 Q588 I589 G595 R741 | N587-S591 VanDerWaalsContact O-CB 3.28Å; N587-S591 WeakPolarHBondContact O-CB 3.41Å; N587-S591 PolarHBondContact O-N 2.89Å; N587-S591 PolarHBondContact O-OG 2.99Å; Q588-S591 CarbonylContact O-C 3.58Å; Q588-S591 PolarHBondContact O-N 3.1Å; I589-S591 PolarHBondContact O-N 3.09Å; S591-G595 PolarHBondContact O-N 2.85Å; S591-R741 PolarHBondContact OG-NH1 3.03Å; S591-R741 PolarHBondContact OG-NH2 3.21Å |
| 592 | L | 86.1 | Confident | 80 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.3 | -48.5 | 166.6 | -173.5 | 154.7 | 0 | 0 | 0 | 110.4 | F522 R547 L550 Q588 I589 L590 G595 L596 | F522-L592 HydrophobicContact CE1-CD1 4.3Å; F522-L592 HydrophobicContact CE2-CD1 4.08Å; F522-L592 HydrophobicContact CZ-CD1 3.96Å; R547-L592 HydrophobicContact CG-CB 3.88Å; R547-L592 HydrophobicContact CG-CD1 4.32Å; R547-L592 HydrophobicContact CG-CG 4.1Å; L550-L592 HydrophobicContact CB-CD1 3.96Å; L550-L592 HydrophobicContact CD1-CD1 3.7Å; L550-L592 HydrophobicContact CG-CD1 4.47Å; Q588-L592 PolarHBondContact O-N 3.38Å; I589-L592 WeakPolarHBondContact O-CA 3.41Å; I589-L592 VanDerWaalsContact O-CB 3.28Å; I589-L592 WeakPolarHBondContact O-CB 3.49Å; I589-L592 PolarHBondContact O-N 3.25Å; L590-L592 PolarHBondContact O-N 3.49Å; L592-G595 CarbonylContact O-C 3.59Å; L592-G595 VanDerWaalsContact O-CA 3.31Å; L592-G595 WeakPolarHBondContact O-CA 3.24Å; L592-G595 PolarHBondContact O-N 3.37Å; L592-L596 HydrophobicContact CD2-CD1 3.84Å; L592-L596 HydrophobicContact CD2-CG 4.13Å; L592-L596 PolarHBondContact O-N 3.33Å |
| 593 | L | 87.9 | Confident | 79.6 | Confident | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 179.4 | -65 | 174.1 | 0 | 0 | 0 | 112.5 | L578 I589 L590 G595 L596 F597 L718 L723 L745 | L578-L593 HydrophobicContact CD2-CD1 3.91Å; I589-L593 PolarHBondContact O-N 2.65Å; L590-L593 PolarHBondContact O-N 3.45Å; L590-L593 VanDerWaalsContact O-N 3.14Å; L593-G595 PolarHBondContact O-N 3.1Å; L593-L596 HydrophobicContact CD2-CD1 4.28Å; L593-L596 WeakPolarHBondContact O-CB 3.1Å; L593-L596 PolarHBondContact O-N 2.83Å; L593-F597 WeakPolarHBondContact O-CD2 3.43Å; L593-F597 PolarHBondContact O-N 3.48Å; L593-L718 HydrophobicContact CD2-CD1 4.43Å; L593-L723 HydrophobicContact CD1-CD1 4Å; L593-L723 HydrophobicContact CD2-CD1 4.38Å; L593-L745 HydrophobicContact CB-CD2 3.78Å; L593-L745 HydrophobicContact CD1-CD2 4.05Å |
| 594 | Y | 84.7 | Confident | 78.7 | Confident | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.4 | -31.1 | 171 | -81.6 | -79.8 | 0 | 0 | 0 | 112 | L590 F597 V600 P601 I602 R741 Y744 L745 | L590-Y594 VanDerWaalsContact O-CD2 3.24Å; L590-Y594 WeakPolarHBondContact O-CD2 3.36Å; L590-Y594 PolarHBondContact O-N 2.98Å; Y594-F597 CarbonylContact O-C 3.55Å; Y594-V600 HydrophobicContact CD1-CG1 3.96Å; Y594-V600 HydrophobicContact CE1-CG1 3.76Å; Y594-P601 WeakPolarHBondContact CE1-O 3.41Å; Y594-I602 HydrophobicContact CD1-CG1 3.87Å; Y594-I602 HydrophobicContact CG-CG1 4.34Å; Y594-R741 HydrophobicContact CE2-CB 4.23Å; Y594-R741 PolarHBondContact OH-O 2.74Å; Y594-Y744 HydrophobicContact CE1-CD1 4.34Å; Y594-Y744 WeakPolarHBondContact OH-CD1 3.36Å; Y594-L745 HydrophobicContact CD1-CD1 4.36Å; Y594-L745 HydrophobicContact CD2-CD2 4.42Å; Y594-L745 HydrophobicContact CE1-CD1 4.22Å; Y594-L745 HydrophobicContact CE2-CB 4.28Å; Y594-L745 HydrophobicContact CE2-CD2 4.24Å |
| 595 | G | 78.1 | Confident | 77.9 | Confident | 19 Ų | 19 | 24.5 Ų | 24.5 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -72.6 | -26.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R555 S591 L592 L593 | R555-G595 PolarHBondContact NH2-O 3.49Å; S591-G595 PolarHBondContact O-N 2.85Å; L592-G595 CarbonylContact O-C 3.59Å; L592-G595 VanDerWaalsContact O-CA 3.31Å; L592-G595 WeakPolarHBondContact O-CA 3.24Å; L592-G595 PolarHBondContact O-N 3.37Å; L593-G595 PolarHBondContact O-N 3.1Å |
| 596 | L | 81.9 | Confident | 76.9 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.1 | -31.9 | 173.2 | -66.3 | 176.8 | 0 | 0 | 0 | 112.5 | I551 L554 L592 L593 P598 L714 L718 | I551-L596 HydrophobicContact CB-CD2 4.38Å; I551-L596 HydrophobicContact CG1-CD2 4.1Å; L554-L596 HydrophobicContact CB-CD2 3.63Å; L554-L596 HydrophobicContact CD1-CD1 3.9Å; L554-L596 HydrophobicContact CD1-CD2 3.96Å; L554-L596 HydrophobicContact CG-CD2 4.46Å; L592-L596 HydrophobicContact CD2-CD1 3.84Å; L592-L596 HydrophobicContact CD2-CG 4.13Å; L592-L596 PolarHBondContact O-N 3.33Å; L593-L596 HydrophobicContact CD2-CD1 4.28Å; L593-L596 WeakPolarHBondContact O-CB 3.1Å; L593-L596 PolarHBondContact O-N 2.83Å; L596-P598 VanDerWaalsContact C-CD 3.43Å; L596-P598 WeakPolarHBondContact O-CD 3.41Å; L596-L714 HydrophobicContact CB-CD2 4.33Å; L596-L718 HydrophobicContact CD1-CD1 4.33Å |
| 597 | F | 79.4 | Confident | 76 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -113.2 | 72.4 | -176.7 | -61.2 | -75.6 | 0 | 0 | 0 | 112.4 | L593 Y594 T599 V600 Y711 L714 L715 L718 L749 | L593-F597 WeakPolarHBondContact O-CD2 3.43Å; L593-F597 PolarHBondContact O-N 3.48Å; Y594-F597 CarbonylContact O-C 3.55Å; F597-T599 PolarHBondContact O-N 3.1Å; F597-V600 HydrophobicContact CB-CB 4.34Å; F597-V600 HydrophobicContact CB-CG2 3.81Å; F597-V600 WeakPolarHBondContact O-CB 3.48Å; F597-V600 PolarHBondContact O-N 3.25Å; F597-Y711 AromaticContact CD1-CD1 3.57Å; F597-Y711 HydrophobicContact CD1-CD1 3.57Å; F597-Y711 AromaticContact CD1-CE1 3.67Å; F597-Y711 HydrophobicContact CD1-CE1 3.67Å; F597-Y711 AromaticContact CE1-CD1 3.76Å; F597-Y711 HydrophobicContact CE1-CD1 3.76Å; F597-Y711 HydrophobicContact CE1-CE1 4.29Å; F597-L714 HydrophobicContact CE1-CD2 3.86Å; F597-L714 HydrophobicContact CE1-CG 4.34Å; F597-L714 HydrophobicContact CZ-CD2 3.88Å; F597-L714 HydrophobicContact CZ-CG 4.08Å; F597-L715 HydrophobicContact CE1-CD1 4.47Å; F597-L715 HydrophobicContact CE1-CD2 3.86Å; F597-L715 HydrophobicContact CE1-CG 3.9Å; F597-L715 HydrophobicContact CE2-CD2 4.43Å; F597-L715 HydrophobicContact CZ-CD2 3.57Å; F597-L715 HydrophobicContact CZ-CG 3.99Å; F597-L718 HydrophobicContact CE2-CD1 3.9Å; F597-L718 HydrophobicContact CZ-CD1 3.9Å; F597-L749 HydrophobicContact CB-CD2 4.49Å; F597-L749 HydrophobicContact CD1-CD2 4.15Å; F597-L749 HydrophobicContact CD2-CD1 4.1Å; F597-L749 HydrophobicContact CD2-CD2 3.85Å; F597-L749 HydrophobicContact CE1-CD2 4.35Å; F597-L749 HydrophobicContact CE2-CD1 3.86Å; F597-L749 HydrophobicContact CE2-CD2 4.07Å; F597-L749 HydrophobicContact CG-CD2 3.91Å; F597-L749 HydrophobicContact CZ-CD2 4.32Å | ||
| 598 | P | 66 | Low | 75.3 | Confident | 44 Ų | 44 | 29.9 Ų | 29.9 | 29% | 0.286 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -3.8 | -178.7 | 30 | -38 | 0 | 0 | 0 | 114.8 | L596 Y711 | L596-P598 VanDerWaalsContact C-CD 3.43Å; L596-P598 WeakPolarHBondContact O-CD 3.41Å; P598-Y711 WeakPolarHBondContact CD-OH 3.41Å |
| 599 | T | 62.6 | Low | 74.8 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 13% | 0.129 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.8 | 169.2 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | F597 Y711 K752 H1540 | F597-T599 PolarHBondContact O-N 3.1Å; T599-Y711 HydrophobicContact CG2-CE2 3.82Å; T599-Y711 WeakPolarHBondContact CG2-OH 3.48Å; T599-Y711 PolarHBondContact OG1-OH 3.44Å; T599-K752 WeakPolarHBondContact OG1-CE 3.47Å; T599-H1540 HydrophobicContact CG2-CB 4.4Å |
| 600 | V | 70.9 | Confident | 74.3 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -89.9 | 121.6 | -178.5 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | Y594 F597 Y744 L745 L748 L749 | Y594-V600 HydrophobicContact CD1-CG1 3.96Å; Y594-V600 HydrophobicContact CE1-CG1 3.76Å; F597-V600 HydrophobicContact CB-CB 4.34Å; F597-V600 HydrophobicContact CB-CG2 3.81Å; F597-V600 WeakPolarHBondContact O-CB 3.48Å; F597-V600 PolarHBondContact O-N 3.25Å; V600-Y744 HydrophobicContact CG1-CE1 4.34Å; V600-L745 HydrophobicContact CG1-CD1 4.12Å; V600-L748 HydrophobicContact CG1-CD1 3.86Å; V600-L749 HydrophobicContact CG2-CD2 4.17Å |
| 601 | P | 67.7 | Low | 73.7 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -62 | 146.8 | 175.5 | -17.4 | 29.9 | 0 | 0 | 0 | 111 | Y594 L629 Y744 | Y594-P601 WeakPolarHBondContact CE1-O 3.41Å; P601-L629 HydrophobicContact CB-CD2 4.3Å; P601-Y744 VanDerWaalsContact O-CE1 3.23Å; P601-Y744 WeakPolarHBondContact O-CE1 3.5Å |
| 602 | I | 70.1 | Confident | 73.2 | Confident | 75 Ų | 75 | 38.7 Ų | 38.7 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -96.2 | 122.4 | 175.3 | -53.6 | -179.8 | 0 | 0 | 0 | 108.4 | Y594 | Y594-I602 HydrophobicContact CD1-CG1 3.87Å; Y594-I602 HydrophobicContact CG-CG1 4.34Å |
| 603 | P | 71 | Confident | 72.7 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 5% | 0.045 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 139.8 | 174.8 | 28.2 | -34.5 | 0 | 0 | 0 | 110.7 | T613 L629 R741 Y744 | P603-T613 HydrophobicContact CB-CG2 4.03Å; P603-L629 HydrophobicContact CB-CD1 3.98Å; P603-R741 HydrophobicContact CG-CG 4.01Å; P603-Y744 HydrophobicContact CG-CD1 4.44Å; P603-Y744 HydrophobicContact CG-CG 4.49Å |
| 604 | H | 63.6 | Low | 72.1 | Confident | 64 Ų | 64 | 39.2 Ų | 39.2 | 30% | 0.296 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -66.7 | 142.7 | -178.8 | -173.7 | -98.1 | 0 | 0 | 0 | 111.3 | S606 V607 L628 V631 | H604-S606 PolarHBondContact ND1-N 3.44Å; H604-S606 PolarHBondContact ND1-OG 3.27Å; H604-S606 PolarHBondContact O-N 3.07Å; H604-V607 HydrophobicContact CB-CG2 4.32Å; H604-V607 PolarHBondContact O-N 3.31Å; H604-L628 HydrophobicContact CB-CD2 4.38Å; H604-V631 HydrophobicContact CB-CG2 4.06Å; H604-V631 VanDerWaalsContact ND1-CG2 3.34Å; H604-V631 WeakPolarHBondContact ND1-CG2 3.31Å |
| 605 | S | 65.7 | Low | 71.4 | Confident | 88 Ų | 88 | 43.9 Ų | 43.9 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.4 | -171 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 606 | S | 62.9 | Low | 70.9 | Confident | 63 Ų | 63 | 43.2 Ų | 43.2 | 44% | 0.441 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -15.3 | 172.9 | 64.6 | 0 | 0 | 0 | 0 | 114 | H604 K608 | H604-S606 PolarHBondContact ND1-N 3.44Å; H604-S606 PolarHBondContact ND1-OG 3.27Å; H604-S606 PolarHBondContact O-N 3.07Å; S606-K608 PolarHBondContact O-N 3.09Å |
| 607 | V | 68.4 | Low | 70.3 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | trans | -89 | 107.8 | -172.2 | -168.3 | 0 | 0 | 0 | 0 | 110.5 | H604 P612 T613 T740 | H604-V607 HydrophobicContact CB-CG2 4.32Å; H604-V607 PolarHBondContact O-N 3.31Å; V607-P612 HydrophobicContact CG1-CB 4.16Å; V607-P612 HydrophobicContact CG1-CG 4.08Å; V607-T613 VanDerWaalsContact CG1-OG1 3.22Å; V607-T613 WeakPolarHBondContact CG1-OG1 3.45Å; V607-T740 PolarHBondContact O-OG1 3.13Å | ||
| 608 | K | 70.7 | Confident | 69.8 | Low | 115 Ų | 115 | 46.9 Ų | 46.9 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | trans | -102.1 | -10.2 | -176.6 | -63 | -174.9 | -178.2 | 179.7 | 0 | 114.8 | S606 Q736 V737 T740 | S606-K608 PolarHBondContact O-N 3.09Å; K608-Q736 HydrophobicContact CB-CB 4.36Å; K608-Q736 HydrophobicContact CB-CG 4.25Å; K608-Q736 VanDerWaalsContact O-CG 3.31Å; K608-Q736 WeakPolarHBondContact O-CG 3.16Å; K608-Q736 PolarHBondContact O-NE2 3.23Å; K608-V737 HydrophobicContact CG-CG2 3.94Å; K608-T740 VanDerWaalsContact C-CG2 3.43Å; K608-T740 WeakPolarHBondContact O-CG2 3.28Å | ||
| 609 | E | 72 | Confident | 69.5 | Low | 103 Ų | 103 | 47.3 Ų | 47.3 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -119.4 | 149.5 | -169.7 | -67.7 | -178.5 | 177.9 | 0 | 0 | 113.2 | P612 T613 | E609-P612 HydrophobicContact CB-CG 3.69Å; E609-P612 WeakPolarHBondContact O-CD 3.3Å; E609-T613 PolarHBondContact O-N 2.95Å; E609-T613 PolarHBondContact O-OG1 3.02Å |
| 610 | L | 77.1 | Confident | 69.4 | Low | 45 Ų | 45 | 46.5 Ų | 46.5 | 24% | 0.236 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54.2 | -56 | -178.4 | 179.4 | 70 | 0 | 0 | 0 | 112.2 | T613 I614 W786 | L610-T613 PolarHBondContact O-N 3.47Å; L610-I614 HydrophobicContact CD1-CD1 3.78Å; L610-I614 HydrophobicContact CD2-CD1 4.47Å; L610-I614 HydrophobicContact CG-CD1 3.67Å; L610-I614 WeakPolarHBondContact O-CD1 3.25Å; L610-I614 WeakPolarHBondContact O-CG1 3.38Å; L610-I614 PolarHBondContact O-N 3.3Å; L610-W786 HydrophobicContact CB-CZ2 4.49Å; L610-W786 HydrophobicContact CD1-CD2 3.46Å; L610-W786 VanDerWaalsContact CD1-CD2 3.46Å; L610-W786 VanDerWaalsContact CD1-CE2 3.48Å; L610-W786 HydrophobicContact CD1-CE3 3.61Å; L610-W786 HydrophobicContact CD1-CG 4.06Å; L610-W786 HydrophobicContact CD1-CH2 3.84Å; L610-W786 HydrophobicContact CD1-CZ2 3.67Å; L610-W786 HydrophobicContact CD1-CZ3 3.81Å |
| 611 | E | 76.8 | Confident | 69 | Low | 66 Ų | 66 | 47.8 Ų | 47.8 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.5 | -48.1 | -172 | -63.4 | -162.7 | 160.9 | 0 | 0 | 114.7 | T613 I614 L615 R659 | E611-T613 PolarHBondContact O-N 2.87Å; E611-I614 PolarHBondContact O-N 3.22Å; E611-I614 VanDerWaalsContact O-N 3.15Å; E611-L615 WeakPolarHBondContact O-CB 3.41Å; E611-L615 WeakPolarHBondContact O-CG 3.44Å; E611-L615 PolarHBondContact O-N 3.03Å; E611-R659 VanDerWaalsContact CD-NH2 3.27Å; E611-R659 IonicContact OE1-CZ 2.7Å; E611-R659 VanDerWaalsContact OE1-CZ 3.3Å; E611-R659 IonicContact OE1-NH1 3.74Å; E611-R659 PolarHBondContact OE1-NH1 3.29Å; E611-R659 IonicContact OE1-NH2 3.21Å; E611-R659 PolarHBondContact OE1-NH2 2.84Å; E611-R659 IonicContact OE2-CZ 3.67Å; E611-R659 IonicContact OE2-NH1 2.88Å; E611-R659 PolarHBondContact OE2-NH1 3.25Å; E611-R659 IonicContact OE2-NH2 2.92Å; E611-R659 PolarHBondContact OE2-NH2 3.28Å |
| 612 | P | 73.4 | Confident | 68.3 | Low | 49 Ų | 49 | 47.8 Ų | 47.8 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.9 | -26.5 | 173.9 | 23.9 | -32.9 | 0 | 0 | 0 | 112.9 | V607 E609 G616 | V607-P612 HydrophobicContact CG1-CB 4.16Å; V607-P612 HydrophobicContact CG1-CG 4.08Å; E609-P612 HydrophobicContact CB-CG 3.69Å; E609-P612 WeakPolarHBondContact O-CD 3.3Å; P612-G616 PolarHBondContact O-N 3.15Å |
| 613 | T | 76.3 | Confident | 67.2 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.5 | -39.1 | 172.8 | -45.1 | 0 | 0 | 0 | 0 | 111.9 | P603 V607 E609 L610 E611 L617 L629 Y744 W786 | P603-T613 HydrophobicContact CB-CG2 4.03Å; V607-T613 VanDerWaalsContact CG1-OG1 3.22Å; V607-T613 WeakPolarHBondContact CG1-OG1 3.45Å; E609-T613 PolarHBondContact O-N 2.95Å; E609-T613 PolarHBondContact O-OG1 3.02Å; L610-T613 PolarHBondContact O-N 3.47Å; E611-T613 PolarHBondContact O-N 2.87Å; T613-L617 PolarHBondContact O-N 3.17Å; T613-L629 HydrophobicContact CG2-CD1 4.29Å; T613-Y744 HydrophobicContact CG2-CD2 3.48Å; T613-Y744 VanDerWaalsContact CG2-CD2 3.48Å; T613-Y744 HydrophobicContact CG2-CE2 3.84Å; T613-Y744 HydrophobicContact CG2-CG 4.38Å; T613-W786 HydrophobicContact CG2-CH2 3.98Å; T613-W786 HydrophobicContact CG2-CZ3 4.28Å |
| 614 | I | 75.9 | Confident | 66.3 | Low | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.6 | -41.3 | 175.9 | -63.1 | 155.1 | 0 | 0 | 0 | 111.2 | L610 E611 G616 L617 I618 R789 | L610-I614 HydrophobicContact CD1-CD1 3.78Å; L610-I614 HydrophobicContact CD2-CD1 4.47Å; L610-I614 HydrophobicContact CG-CD1 3.67Å; L610-I614 WeakPolarHBondContact O-CD1 3.25Å; L610-I614 WeakPolarHBondContact O-CG1 3.38Å; L610-I614 PolarHBondContact O-N 3.3Å; E611-I614 PolarHBondContact O-N 3.22Å; E611-I614 VanDerWaalsContact O-N 3.15Å; I614-G616 VanDerWaalsContact C-N 3.34Å; I614-L617 WeakPolarHBondContact O-CB 3.48Å; I614-L617 PolarHBondContact O-N 3.39Å; I614-L617 VanDerWaalsContact O-N 3.16Å; I614-I618 HydrophobicContact CG2-CD1 3.94Å; I614-I618 HydrophobicContact CG2-CG1 4.48Å; I614-I618 WeakPolarHBondContact O-CG1 3.39Å; I614-I618 PolarHBondContact O-N 2.93Å; I614-R789 HydrophobicContact CD1-CB 3.56Å; I614-R789 HydrophobicContact CD1-CG 4.01Å; I614-R789 HydrophobicContact CG1-CB 4.34Å |
| 615 | L | 68.9 | Low | 65.4 | Low | 104 Ų | 104 | 44.7 Ų | 44.7 | 55% | 0.545 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 174.4 | -72.2 | 168.9 | 0 | 0 | 0 | 110.4 | E611 L617 I618 E619 | E611-L615 WeakPolarHBondContact O-CB 3.41Å; E611-L615 WeakPolarHBondContact O-CG 3.44Å; E611-L615 PolarHBondContact O-N 3.03Å; L615-L617 VanDerWaalsContact C-N 3.32Å; L615-L617 PolarHBondContact O-N 2.85Å; L615-I618 PolarHBondContact O-N 3.36Å; L615-E619 WeakPolarHBondContact O-CB 3.49Å; L615-E619 PolarHBondContact O-N 3.13Å |
| 616 | G | 66.8 | Low | 64.2 | Low | 5 Ų | 5 | 41.8 Ų | 41.8 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -37 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P612 I614 A620 | P612-G616 PolarHBondContact O-N 3.15Å; I614-G616 VanDerWaalsContact C-N 3.34Å; G616-A620 WeakPolarHBondContact O-CB 3.36Å; G616-A620 PolarHBondContact O-N 3.35Å |
| 617 | L | 71.2 | Confident | 63 | Low | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 171.9 | 171.1 | 62.8 | 0 | 0 | 0 | 112 | T613 I614 L615 A620 L621 Y744 L748 I790 A793 | T613-L617 PolarHBondContact O-N 3.17Å; I614-L617 WeakPolarHBondContact O-CB 3.48Å; I614-L617 PolarHBondContact O-N 3.39Å; I614-L617 VanDerWaalsContact O-N 3.16Å; L615-L617 VanDerWaalsContact C-N 3.32Å; L615-L617 PolarHBondContact O-N 2.85Å; L617-A620 PolarHBondContact O-N 3.36Å; L617-L621 HydrophobicContact CD1-CD1 3.86Å; L617-L621 HydrophobicContact CD1-CG 3.95Å; L617-L621 HydrophobicContact CG-CD1 3.95Å; L617-L621 HydrophobicContact CG-CG 4.45Å; L617-L621 WeakPolarHBondContact O-CB 2.8Å; L617-L621 VanDerWaalsContact O-CG 3.23Å; L617-L621 WeakPolarHBondContact O-CG 3.35Å; L617-L621 PolarHBondContact O-N 3.44Å; L617-Y744 HydrophobicContact CB-CE2 4.07Å; L617-Y744 WeakPolarHBondContact CD1-OH 3.38Å; L617-Y744 HydrophobicContact CD2-CE2 4.33Å; L617-L748 HydrophobicContact CD2-CD2 4.49Å; L617-I790 HydrophobicContact CD2-CG1 4.18Å; L617-I790 HydrophobicContact CD2-CG2 4.34Å; L617-A793 HydrophobicContact CD2-CB 4.4Å |
| 618 | I | 67 | Low | 61.4 | Low | 77 Ų | 77 | 46 Ų | 46 | 40% | 0.395 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 179 | -66.8 | 166.1 | 0 | 0 | 0 | 110.3 | I614 L615 L621 S622 A793 | I614-I618 HydrophobicContact CG2-CD1 3.94Å; I614-I618 HydrophobicContact CG2-CG1 4.48Å; I614-I618 WeakPolarHBondContact O-CG1 3.39Å; I614-I618 PolarHBondContact O-N 2.93Å; L615-I618 PolarHBondContact O-N 3.36Å; I618-L621 PolarHBondContact O-N 3.33Å; I618-S622 WeakPolarHBondContact O-CB 3.18Å; I618-S622 PolarHBondContact O-N 3.27Å; I618-S622 PolarHBondContact O-OG 2.97Å; I618-S622 VanDerWaalsContact O-OG 3.11Å; I618-A793 HydrophobicContact CD1-CB 4.3Å; I618-A793 HydrophobicContact CG1-CB 4.01Å |
| 619 | E | 60.6 | Low | 59.6 | Low | 53 Ų | 53 | 40.8 Ų | 40.8 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -50.3 | 171.9 | -174 | -178.8 | 174.7 | 0 | 0 | 110.9 | L615 L621 S622 T623 P630 | L615-E619 WeakPolarHBondContact O-CB 3.49Å; L615-E619 PolarHBondContact O-N 3.13Å; E619-L621 VanDerWaalsContact C-N 3.35Å; E619-L621 PolarHBondContact O-N 3.46Å; E619-S622 WeakPolarHBondContact CA-OG 3.32Å; E619-S622 CarbonylContact O-C 3.54Å; E619-S622 PolarHBondContact O-N 2.98Å; E619-S622 PolarHBondContact O-OG 2.95Å; E619-T623 WeakPolarHBondContact O-CB 3.38Å; E619-T623 WeakPolarHBondContact O-CG2 3.32Å; E619-T623 PolarHBondContact O-N 3.2Å; E619-T623 PolarHBondContact O-OG1 3.09Å; E619-P630 WeakPolarHBondContact OE1-CG 3.22Å |
| 620 | A | 61.2 | Low | 57.6 | Low | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -35.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G616 L617 T623 G624 S625 L629 | G616-A620 WeakPolarHBondContact O-CB 3.36Å; G616-A620 PolarHBondContact O-N 3.35Å; L617-A620 PolarHBondContact O-N 3.36Å; A620-T623 WeakPolarHBondContact CA-OG1 3.36Å; A620-G624 CarbonylContact O-C 3.45Å; A620-G624 VanDerWaalsContact O-C 3.24Å; A620-G624 VanDerWaalsContact O-CA 3.29Å; A620-G624 WeakPolarHBondContact O-CA 3.37Å; A620-G624 PolarHBondContact O-N 2.71Å; A620-S625 WeakPolarHBondContact CB-O 3.35Å; A620-S625 PolarHBondContact O-N 2.89Å; A620-L629 HydrophobicContact CB-CD2 3.62Å |
| 621 | L | 62.6 | Low | 55.4 | Low | 34 Ų | 34 | 39.2 Ų | 39.2 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.1 | -51.6 | 171.7 | -72.3 | 168.1 | 0 | 0 | 0 | 110.1 | L617 I618 E619 T623 G624 M794 H797 | L617-L621 HydrophobicContact CD1-CD1 3.86Å; L617-L621 HydrophobicContact CD1-CG 3.95Å; L617-L621 HydrophobicContact CG-CD1 3.95Å; L617-L621 HydrophobicContact CG-CG 4.45Å; L617-L621 WeakPolarHBondContact O-CB 2.8Å; L617-L621 VanDerWaalsContact O-CG 3.23Å; L617-L621 WeakPolarHBondContact O-CG 3.35Å; L617-L621 PolarHBondContact O-N 3.44Å; I618-L621 PolarHBondContact O-N 3.33Å; E619-L621 VanDerWaalsContact C-N 3.35Å; E619-L621 PolarHBondContact O-N 3.46Å; L621-T623 VanDerWaalsContact C-N 3.26Å; L621-T623 PolarHBondContact O-N 3.48Å; L621-G624 PolarHBondContact O-N 3.08Å; L621-G624 VanDerWaalsContact O-N 3.1Å; L621-M794 HydrophobicContact CD1-SD 3.99Å; L621-M794 HydrophobicContact CD2-SD 4.3Å; L621-H797 HydrophobicContact CD1-CB 4.09Å |
| 622 | S | 52.1 | Low | 53.2 | Low | 15 Ų | 15 | 40.7 Ų | 40.7 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.3 | -16.6 | -179.4 | 70.7 | 0 | 0 | 0 | 0 | 116 | I618 E619 L695 | I618-S622 WeakPolarHBondContact O-CB 3.18Å; I618-S622 PolarHBondContact O-N 3.27Å; I618-S622 PolarHBondContact O-OG 2.97Å; I618-S622 VanDerWaalsContact O-OG 3.11Å; E619-S622 WeakPolarHBondContact CA-OG 3.32Å; E619-S622 CarbonylContact O-C 3.54Å; E619-S622 PolarHBondContact O-N 2.98Å; E619-S622 PolarHBondContact O-OG 2.95Å; S622-L695 WeakPolarHBondContact O-CD2 3.48Å |
| 623 | T | 47.9 | Very low | 51 | Low | 46 Ų | 46 | 44.1 Ų | 44.1 | 28% | 0.282 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -1.4 | 174.9 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | E619 A620 L621 S625 L695 | E619-T623 WeakPolarHBondContact O-CB 3.38Å; E619-T623 WeakPolarHBondContact O-CG2 3.32Å; E619-T623 PolarHBondContact O-N 3.2Å; E619-T623 PolarHBondContact O-OG1 3.09Å; A620-T623 WeakPolarHBondContact CA-OG1 3.36Å; L621-T623 VanDerWaalsContact C-N 3.26Å; L621-T623 PolarHBondContact O-N 3.48Å; T623-S625 PolarHBondContact O-N 3Å; T623-S625 VanDerWaalsContact O-N 3.14Å; T623-S625 WeakPolarHBondContact OG1-CB 3.41Å; T623-L695 VanDerWaalsContact C-CD2 3.5Å |
| 624 | G | 50.5 | Low | 48.5 | Very low | 17 Ų | 17 | 51 Ų | 51 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 9.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A620 L621 S626 R694 | A620-G624 CarbonylContact O-C 3.45Å; A620-G624 VanDerWaalsContact O-C 3.24Å; A620-G624 VanDerWaalsContact O-CA 3.29Å; A620-G624 WeakPolarHBondContact O-CA 3.37Å; A620-G624 PolarHBondContact O-N 2.71Å; L621-G624 PolarHBondContact O-N 3.08Å; L621-G624 VanDerWaalsContact O-N 3.1Å; G624-S626 VanDerWaalsContact C-N 3.34Å; G624-S626 PolarHBondContact O-N 2.72Å; G624-R694 PolarHBondContact O-NE 3.46Å; G624-R694 PolarHBondContact O-NH1 2.82Å; G624-R694 PolarHBondContact O-NH2 3.39Å |
| 625 | S | 44.7 | Very low | 46.1 | Very low | 18 Ų | 18 | 54.3 Ų | 54.3 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | trans | -71.5 | 77.1 | -172.8 | -167.9 | 0 | 0 | 0 | 0 | 114 | A620 T623 S627 L628 | A620-S625 WeakPolarHBondContact CB-O 3.35Å; A620-S625 PolarHBondContact O-N 2.89Å; T623-S625 PolarHBondContact O-N 3Å; T623-S625 VanDerWaalsContact O-N 3.14Å; T623-S625 WeakPolarHBondContact OG1-CB 3.41Å; S625-S627 PolarHBondContact O-N 3.31Å; S625-L628 PolarHBondContact OG-O 3.07Å | ||
| 626 | S | 41.5 | Very low | 44 | Very low | 26 Ų | 26 | 54.8 Ų | 54.8 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | trans | -76.7 | 9.2 | 179.6 | 70.7 | 0 | 0 | 0 | 0 | 115.9 | G624 R694 H1540 | G624-S626 VanDerWaalsContact C-N 3.34Å; G624-S626 PolarHBondContact O-N 2.72Å; S626-R694 PolarHBondContact OG-NH2 2.93Å; S626-R694 VanDerWaalsContact OG-NH2 3.11Å; S626-H1540 WeakPolarHBondContact CB-NE2 3.33Å; S626-H1540 PolarHBondContact OG-NE2 3.11Å | ||
| 627 | S | 37.6 | Very low | 42 | Very low | 74 Ų | 74 | 59.7 Ų | 59.7 | 52% | 0.517 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -114.8 | -27.9 | -165.9 | 42.6 | 0 | 0 | 0 | 0 | 115.7 | S625 | S625-S627 PolarHBondContact O-N 3.31Š|
| 628 | L | 34.9 | Very low | 39.8 | Very low | 97 Ų | 97 | 65.6 Ų | 65.6 | 51% | 0.508 | 40% | 0.399 | S | S | . | . | trans | -170.3 | 140.4 | 171.7 | -98.8 | 137.3 | 0 | 0 | 0 | 108 | H604 S625 | H604-L628 HydrophobicContact CB-CD2 4.38Å; S625-L628 PolarHBondContact OG-O 3.07Å | ||
| 629 | L | 32.4 | Very low | 37.8 | Very low | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | trans | -73.2 | 132.9 | 173.5 | -54.1 | -173.1 | 0 | 0 | 0 | 110.1 | P601 P603 T613 A620 | P601-L629 HydrophobicContact CB-CD2 4.3Å; P603-L629 HydrophobicContact CB-CD1 3.98Å; T613-L629 HydrophobicContact CG2-CD1 4.29Å; A620-L629 HydrophobicContact CB-CD2 3.62Å | ||
| 630 | P | 30.1 | Very low | 36 | Very low | 54 Ų | 54 | 73.3 Ų | 73.3 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | trans | -59.8 | 150.1 | 171.6 | -23.8 | 36.1 | 0 | 0 | 0 | 112 | E619 | E619-P630 WeakPolarHBondContact OE1-CG 3.22Š| ||
| 631 | V | 31.8 | Very low | 34.3 | Very low | 60 Ų | 60 | 84.9 Ų | 84.9 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | trans | -104.7 | 120.3 | 177.3 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | H604 N633 | H604-V631 HydrophobicContact CB-CG2 4.06Å; H604-V631 VanDerWaalsContact ND1-CG2 3.34Å; H604-V631 WeakPolarHBondContact ND1-CG2 3.31Å; V631-N633 VanDerWaalsContact C-N 3.34Å; V631-N633 PolarHBondContact O-N 3.1Å | ||
| 632 | I | 30.2 | Very low | 32.3 | Very low | 98 Ų | 98 | 87.5 Ų | 87.5 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | trans | -65 | 96.5 | 162.5 | -59 | 174.1 | 0 | 0 | 0 | 107.1 | L634 | I632-L634 HydrophobicContact CG2-CD1 4.08Å; I632-L634 HydrophobicContact CG2-CG 4.31Å; I632-L634 PolarHBondContact O-N 3.05Å | ||
| 633 | N | 27.7 | Very low | 30.9 | Very low | 120 Ų | 120 | 92.9 Ų | 92.9 | 64% | 0.642 | 54% | 0.54 | S | S | * | . | trans | -81.1 | 81 | -170.7 | -166.2 | 20.1 | 0 | 0 | 0 | 112.1 | V631 S635 | V631-N633 VanDerWaalsContact C-N 3.34Å; V631-N633 PolarHBondContact O-N 3.1Å; N633-S635 VanDerWaalsContact C-N 3.27Å; N633-S635 PolarHBondContact O-N 3.29Å; N633-S635 PolarHBondContact OD1-O 3.32Å; N633-S635 VanDerWaalsContact OD1-O 3.13Å | ||
| 634 | L | 24 | Very low | 29.8 | Very low | 145 Ų | 145 | 101.6 Ų | 101.6 | 76% | 0.759 | 57% | 0.57 | S | S | * | * | trans | -88.6 | 27.6 | 178.8 | -97.6 | 165.8 | 0 | 0 | 0 | 113.8 | I632 | I632-L634 HydrophobicContact CG2-CD1 4.08Å; I632-L634 HydrophobicContact CG2-CG 4.31Å; I632-L634 PolarHBondContact O-N 3.05Å | ||
| 635 | S | 24.2 | Very low | 28.4 | Very low | 85 Ų | 85 | 108.5 Ų | 108.5 | 59% | 0.594 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -147.8 | 137.7 | 169.5 | 58.5 | 0 | 0 | 0 | 0 | 112.2 | N633 | N633-S635 VanDerWaalsContact C-N 3.27Å; N633-S635 PolarHBondContact O-N 3.29Å; N633-S635 PolarHBondContact OD1-O 3.32Å; N633-S635 VanDerWaalsContact OD1-O 3.13Å |
| 636 | S | 24.6 | Very low | 27.3 | Very low | 115 Ų | 115 | 118 Ų | 118 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 136.5 | 176.5 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | P638 | S636-P638 WeakPolarHBondContact O-CD 3.38Š|
| 637 | S | 24.7 | Very low | 26.4 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -72 | 125.3 | 172 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 638 | P | 25.2 | Very low | 25.7 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.7 | 160.2 | 29.3 | -32.6 | 0 | 0 | 0 | 109.6 | S636 | S636-P638 WeakPolarHBondContact O-CD 3.38Š|
| 639 | G | 25.6 | Very low | 25 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 156.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R641 | G639-R641 PolarHBondContact O-N 2.89Š|
| 640 | K | 23.8 | Very low | 24.4 | Very low | 218 Ų | 218 | 135.4 Ų | 135.4 | 95% | 0.948 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 125.7 | 174.8 | -65.4 | 178.4 | -179.8 | 178.4 | 0 | 111.2 | ||
| 641 | R | 24.3 | Very low | 24 | Very low | 248 Ų | 248 | 138.2 Ų | 138.2 | 94% | 0.936 | 74% | 0.74 | S | S | * | * | trans | -143.8 | 143.6 | 147.2 | -142.5 | 172.3 | -169.7 | 167.3 | 1.9 | 108.7 | G639 | G639-R641 PolarHBondContact O-N 2.89Š| ||
| 642 | S | 21.7 | Very low | 23.5 | Very low | 88 Ų | 88 | 140 Ų | 140 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | trans | -89.6 | 166.7 | 174.7 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 643 | D | 22 | Very low | 23.1 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | 83.1 | 138 | 158 | -44.9 | -51.2 | 0 | 0 | 0 | 118.3 | ||||
| 644 | Y | 24.4 | Very low | 22.8 | Very low | 229 Ų | 229 | 146.9 Ų | 146.9 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | 74.6 | 101.1 | 177.2 | -55.6 | -73.7 | 0 | 0 | 0 | 119.2 | ||||
| 645 | L | 22 | Very low | 22.8 | Very low | 162 Ų | 162 | 146.5 Ų | 146.5 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -69.8 | 164.8 | 147.1 | -62.7 | 168.1 | 0 | 0 | 0 | 108.4 | ||||
| 646 | R | 20.5 | Very low | 22.6 | Very low | 219 Ų | 219 | 146.2 Ų | 146.2 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | cis | -165.9 | 175 | 41 | -155.5 | -167.9 | -114.5 | -172.9 | -1.6 | 111.1 | ||||
| 647 | N | 22.8 | Very low | 22.5 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | 74.3 | 141.9 | 172.4 | -59 | 30.9 | 0 | 0 | 0 | 113.9 | ||||
| 648 | E | 22.4 | Very low | 22.6 | Very low | 167 Ų | 167 | 147 Ų | 147 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | cis | -146.8 | -170.3 | 0.5 | -134.8 | 158 | -108.3 | 0 | 0 | 113.1 | ||||
| 649 | M | 19.7 | Very low | 22.5 | Very low | 179 Ų | 179 | 150 Ų | 150 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -76.5 | 163.4 | -175.5 | -47.9 | 176.7 | -169.8 | 0 | 0 | 110.7 | ||||
| 650 | S | 20.9 | Very low | 22.4 | Very low | 102 Ų | 102 | 156.3 Ų | 156.3 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | cis | 177.1 | 170.9 | 47.4 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 651 | S | 21.2 | Very low | 22.3 | Very low | 113 Ų | 113 | 153.8 Ų | 153.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 59.5 | 162.2 | 162.6 | 76.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 652 | S | 20.8 | Very low | 22.3 | Very low | 97 Ų | 97 | 150.1 Ų | 150.1 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | cis | -162.2 | 146.1 | -30 | 45.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 653 | Y | 21.6 | Very low | 22.3 | Very low | 214 Ų | 214 | 150.4 Ų | 150.4 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | 37 | 140.9 | 142.6 | -79.5 | -80.8 | 0 | 0 | 0 | 124 | ||||
| 654 | L | 22.6 | Very low | 22.4 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 71.7 | 155.9 | 154.7 | -62.3 | 162.2 | 0 | 0 | 0 | 116.8 | ||||
| 655 | D | 23.1 | Very low | 22.4 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | cis | -141.6 | 167.2 | -9.5 | -144.7 | -25.8 | 0 | 0 | 0 | 112.1 | ||||
| 656 | S | 21 | Very low | 22.5 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 56% | 0.559 | 74% | 0.743 | S | S | * | * | trans | -99.1 | 112.1 | 175.6 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 657 | S | 22 | Very low | 23 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | trans | -176.1 | 118.2 | 145.6 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 658 | S | 26.9 | Very low | 23.2 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 72% | 0.717 | S | S | * | * | trans | -161.5 | 78.2 | 159.3 | -86.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 659 | R | 23.4 | Very low | 23.4 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 71% | 0.709 | 72% | 0.715 | S | S | * | * | trans | -85.5 | 110.4 | 166.9 | -66.7 | 177.8 | -175.4 | -89.3 | 1.8 | 109.7 | E611 | E611-R659 VanDerWaalsContact CD-NH2 3.27Å; E611-R659 IonicContact OE1-CZ 2.7Å; E611-R659 VanDerWaalsContact OE1-CZ 3.3Å; E611-R659 IonicContact OE1-NH1 3.74Å; E611-R659 PolarHBondContact OE1-NH1 3.29Å; E611-R659 IonicContact OE1-NH2 3.21Å; E611-R659 PolarHBondContact OE1-NH2 2.84Å; E611-R659 IonicContact OE2-CZ 3.67Å; E611-R659 IonicContact OE2-NH1 2.88Å; E611-R659 PolarHBondContact OE2-NH1 3.25Å; E611-R659 IonicContact OE2-NH2 2.92Å; E611-R659 PolarHBondContact OE2-NH2 3.28Å | ||
| 660 | R | 22.3 | Very low | 23.7 | Very low | 206 Ų | 206 | 130.8 Ų | 130.8 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | trans | -167 | 137.4 | 152.5 | -106.9 | 163.9 | -153.5 | -153.4 | 5.7 | 110.9 | ||||
| 661 | L | 21.8 | Very low | 23.9 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | 48.9 | 74.9 | 155.5 | -55.4 | 176.3 | 0 | 0 | 0 | 117.6 | ||||
| 662 | F | 24.3 | Very low | 24 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | trans | -102.6 | 116.2 | 153.7 | -82.6 | -76 | 0 | 0 | 0 | 110.9 | ||||
| 663 | S | 22.7 | Very low | 24.1 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | trans | -63.1 | 147.9 | 166.5 | 45.8 | 0 | 0 | 0 | 0 | 110.3 | L665 | S663-L665 PolarHBondContact O-N 2.85Š| ||
| 664 | I | 24.7 | Very low | 24.2 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | trans | -68.3 | 96.9 | -179.1 | -58.8 | 172.4 | 0 | 0 | 0 | 109 | ||||
| 665 | L | 23.4 | Very low | 24.3 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 66% | 0.66 | 71% | 0.709 | S | S | * | * | trans | -90.6 | 124.7 | 173.3 | -76.9 | 165.3 | 0 | 0 | 0 | 109.3 | S663 V667 | S663-L665 PolarHBondContact O-N 2.85Å; L665-V667 PolarHBondContact O-N 3.37Å | ||
| 666 | P | 24.7 | Very low | 24.5 | Very low | 81 Ų | 81 | 124 Ų | 124 | 53% | 0.526 | 71% | 0.711 | S | S | . | * | trans | -72 | 103.3 | 174.5 | 28.8 | -32.5 | 0 | 0 | 0 | 109.5 | R668 | P666-R668 PolarHBondContact O-N 3.33Š| ||
| 667 | V | 30.7 | Very low | 25.1 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 44% | 0.436 | 72% | 0.721 | S | S | . | * | trans | -68.8 | 123.8 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | L665 H813 | L665-V667 PolarHBondContact O-N 3.37Å; V667-H813 PolarHBondContact O-CE1 3.16Å; V667-H813 VanDerWaalsContact O-CE1 3.28Å | ||
| 668 | R | 27.5 | Very low | 25.9 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 48% | 0.479 | 71% | 0.706 | S | S | . | * | trans | -69.5 | 141.8 | 175 | -72.4 | 171.3 | 164.7 | 128.9 | -23.1 | 110.6 | P666 I670 N1043 P1045 | P666-R668 PolarHBondContact O-N 3.33Å; R668-I670 VanDerWaalsContact C-N 3.27Å; R668-I670 HydrophobicContact CB-CD1 4.46Å; R668-I670 HydrophobicContact CB-CG1 3.72Å; R668-I670 PolarHBondContact O-N 3.42Å; R668-N1043 VanDerWaalsContact CZ-O 3.31Å; R668-N1043 PolarHBondContact NE-O 3.41Å; R668-N1043 PolarHBondContact NH2-O 2.93Å; R668-P1045 VanDerWaalsContact NH2-CD 3.32Å | ||
| 669 | C | 25.8 | Very low | 27 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | trans | -66.3 | 86.7 | 154 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | S671 | C669-S671 PolarHBondContact O-N 2.81Š| ||
| 670 | I | 26.3 | Very low | 28.4 | Very low | 127 Ų | 127 | 111.7 Ų | 111.7 | 65% | 0.651 | 66% | 0.655 | S | S | * | * | trans | -79.8 | 103.9 | 176 | -59.3 | -176.7 | 0 | 0 | 0 | 108.8 | R668 S672 | R668-I670 VanDerWaalsContact C-N 3.27Å; R668-I670 HydrophobicContact CB-CD1 4.46Å; R668-I670 HydrophobicContact CB-CG1 3.72Å; R668-I670 PolarHBondContact O-N 3.42Å; I670-S672 PolarHBondContact O-N 2.84Å | ||
| 671 | S | 24.7 | Very low | 30 | Very low | 114 Ų | 114 | 107.3 Ų | 107.3 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | trans | -73.7 | 62.6 | 174.4 | 44.6 | 0 | 0 | 0 | 0 | 112.2 | C669 S673 | C669-S671 PolarHBondContact O-N 2.81Å; S671-S673 PolarHBondContact O-N 3.27Å | ||
| 672 | S | 23.3 | Very low | 32 | Very low | 93 Ų | 93 | 102.8 Ų | 102.8 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | trans | -77.6 | 93.3 | -177.8 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | I670 | I670-S672 PolarHBondContact O-N 2.84Š| ||
| 673 | S | 22.7 | Very low | 33.9 | Very low | 119 Ų | 119 | 95.6 Ų | 95.6 | 83% | 0.832 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 62.9 | 62.4 | 151 | 59.1 | 0 | 0 | 0 | 0 | 119 | S671 | S671-S673 PolarHBondContact O-N 3.27Š|
| 674 | S | 24.5 | Very low | 35.6 | Very low | 107 Ų | 107 | 97.3 Ų | 97.3 | 75% | 0.748 | 58% | 0.582 | S | S | * | * | trans | -138 | 106.2 | 146.9 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | S676 | S674-S676 PolarHBondContact O-N 2.79Å; S674-S676 VanDerWaalsContact O-N 3.15Å | ||
| 675 | S | 24.6 | Very low | 37.5 | Very low | 127 Ų | 127 | 91.1 Ų | 91.1 | 89% | 0.888 | 56% | 0.555 | S | S | * | * | trans | -87.1 | 72.3 | -171.2 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 676 | S | 26.7 | Very low | 39.7 | Very low | 109 Ų | 109 | 86 Ų | 86 | 76% | 0.762 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -160.9 | 29.1 | 176.1 | 50.9 | 0 | 0 | 0 | 0 | 117.8 | S674 | S674-S676 PolarHBondContact O-N 2.79Å; S674-S676 VanDerWaalsContact O-N 3.15Å |
| 677 | S | 34.1 | Very low | 42.2 | Very low | 111 Ų | 111 | 82.5 Ų | 82.5 | 78% | 0.776 | 51% | 0.505 | S | S | * | . | trans | -168.8 | 137.8 | 156.6 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 678 | S | 39.7 | Very low | 44.4 | Very low | 68 Ų | 68 | 79.1 Ų | 79.1 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | trans | -67.4 | 135.3 | 159.4 | 167.6 | 0 | 0 | 0 | 0 | 108.5 | D682 | S678-D682 PolarHBondContact OG-OD2 3.27Š| ||
| 679 | S | 50 | Low | 46.6 | Very low | 48 Ų | 48 | 73.2 Ų | 73.2 | 34% | 0.336 | 46% | 0.462 | S | S | . | . | trans | -76.6 | 149.7 | 173.5 | 77.4 | 0 | 0 | 0 | 0 | 109.8 | W681 D682 | S679-W681 PolarHBondContact O-N 3.22Å; S679-D682 WeakPolarHBondContact CA-OD2 3.41Å; S679-D682 WeakPolarHBondContact CB-OD2 3.14Å; S679-D682 PolarHBondContact N-OD2 3.05Å; S679-D682 PolarHBondContact O-N 3.4Å; S679-D682 VanDerWaalsContact O-N 3.16Å; S679-D682 PolarHBondContact OG-OD1 3.27Å; S679-D682 PolarHBondContact OG-OD2 2.93Å | ||
| 680 | A | 51.6 | Low | 48.7 | Very low | 22 Ų | 22 | 69 Ų | 69 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D686 F687 | A680-D686 PolarHBondContact O-N 2.7Å; A680-F687 PolarHBondContact O-N 2.88Å |
| 681 | W | 56.9 | Low | 50.7 | Low | 114 Ų | 114 | 64.6 Ų | 64.6 | 43% | 0.432 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -3.1 | -175.4 | -35.3 | -47.4 | 0 | 0 | 0 | 113 | S679 | S679-W681 PolarHBondContact O-N 3.22Š|
| 682 | D | 62.9 | Low | 52.8 | Low | 70 Ų | 70 | 59.1 Ų | 59.1 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -62.5 | 155.6 | 170 | -68.8 | -51.6 | 0 | 0 | 0 | 110.8 | S678 S679 E684 G685 F687 | S678-D682 PolarHBondContact OG-OD2 3.27Å; S679-D682 WeakPolarHBondContact CA-OD2 3.41Å; S679-D682 WeakPolarHBondContact CB-OD2 3.14Å; S679-D682 PolarHBondContact N-OD2 3.05Å; S679-D682 PolarHBondContact O-N 3.4Å; S679-D682 VanDerWaalsContact O-N 3.16Å; S679-D682 PolarHBondContact OG-OD1 3.27Å; S679-D682 PolarHBondContact OG-OD2 2.93Å; D682-E684 PolarHBondContact O-N 2.7Å; D682-G685 CarbonylContact O-C 3.55Å; D682-G685 WeakPolarHBondContact O-CA 3.1Å; D682-G685 PolarHBondContact O-N 3.49Å; D682-F687 PolarHBondContact O-N 3.13Å |
| 683 | I | 63.7 | Low | 54.9 | Low | 20 Ų | 20 | 55.6 Ų | 55.6 | 10% | 0.103 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.6 | 174.1 | -67.1 | 161.6 | 0 | 0 | 0 | 111.4 | F687 A1141 N1211 K1214 I1215 | I683-F687 HydrophobicContact CD1-CE2 4.34Å; I683-F687 HydrophobicContact CD1-CZ 4.41Å; I683-F687 HydrophobicContact CG1-CD1 4.5Å; I683-F687 HydrophobicContact CG1-CD2 3.78Å; I683-F687 HydrophobicContact CG1-CE1 4.3Å; I683-F687 HydrophobicContact CG1-CE2 3.55Å; I683-F687 HydrophobicContact CG1-CG 4.27Å; I683-F687 HydrophobicContact CG1-CZ 3.83Å; I683-A1141 HydrophobicContact CB-CB 4.43Å; I683-N1211 HydrophobicContact CG2-CB 3.88Å; I683-K1214 WeakPolarHBondContact O-CD 3.45Å; I683-K1214 PolarHBondContact O-NZ 3.48Å; I683-I1215 HydrophobicContact CD1-CD1 4.32Å |
| 684 | E | 59.9 | Low | 56.8 | Low | 130 Ų | 130 | 51.8 Ų | 51.8 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -36.2 | 172.4 | -63.7 | -177.5 | 178.9 | 0 | 0 | 111.8 | D682 K1214 | D682-E684 PolarHBondContact O-N 2.7Å; E684-K1214 PolarHBondContact O-NZ 3.49Å |
| 685 | G | 64.4 | Low | 58.7 | Low | 19 Ų | 19 | 47.5 Ų | 47.5 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -145.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D682 F687 K1214 | D682-G685 CarbonylContact O-C 3.55Å; D682-G685 WeakPolarHBondContact O-CA 3.1Å; D682-G685 PolarHBondContact O-N 3.49Å; G685-F687 VanDerWaalsContact C-N 3.33Å; G685-K1214 PolarHBondContact O-NZ 2.73Å |
| 686 | D | 69.4 | Low | 60.5 | Low | 18 Ų | 18 | 42.2 Ų | 42.2 | 10% | 0.096 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7.5 | -179.7 | -86.5 | -46.7 | 0 | 0 | 0 | 113.7 | A680 P689 A690 Y1247 R1250 | A680-D686 PolarHBondContact O-N 2.7Å; D686-P689 VanDerWaalsContact O-CD 3.28Å; D686-P689 WeakPolarHBondContact O-CD 3.45Å; D686-A690 HydrophobicContact CB-CB 3.41Å; D686-A690 VanDerWaalsContact CB-CB 3.41Å; D686-Y1247 WeakPolarHBondContact O-CE2 3.42Å; D686-R1250 WeakPolarHBondContact OD1-CD 3.41Å; D686-R1250 IonicContact OD1-CZ 3.25Å; D686-R1250 IonicContact OD1-NE 2.74Å; D686-R1250 IonicContact OD1-NH1 3.77Å; D686-R1250 PolarHBondContact OD1-NH1 2.93Å; D686-R1250 IonicContact OD2-CZ 2.89Å; D686-R1250 IonicContact OD2-NH1 3.97Å; D686-R1250 PolarHBondContact OD2-NH1 2.88Å |
| 687 | F | 76.7 | Confident | 61.9 | Low | 9 Ų | 9 | 41.5 Ų | 41.5 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | trans | 51.7 | -138.2 | 177.2 | -164.6 | -147.6 | 0 | 0 | 0 | 111.5 | A680 D682 I683 G685 A690 E691 F816 K1214 I1215 Y1247 | A680-F687 PolarHBondContact O-N 2.88Å; D682-F687 PolarHBondContact O-N 3.13Å; I683-F687 HydrophobicContact CD1-CE2 4.34Å; I683-F687 HydrophobicContact CD1-CZ 4.41Å; I683-F687 HydrophobicContact CG1-CD1 4.5Å; I683-F687 HydrophobicContact CG1-CD2 3.78Å; I683-F687 HydrophobicContact CG1-CE1 4.3Å; I683-F687 HydrophobicContact CG1-CE2 3.55Å; I683-F687 HydrophobicContact CG1-CG 4.27Å; I683-F687 HydrophobicContact CG1-CZ 3.83Å; G685-F687 VanDerWaalsContact C-N 3.33Å; F687-A690 PolarHBondContact O-N 3.22Å; F687-A690 VanDerWaalsContact O-N 3.12Å; F687-E691 PolarHBondContact O-N 3.42Å; F687-F816 HydrophobicContact CZ-CD2 4.05Å; F687-F816 AromaticContact CZ-CE2 3.86Å; F687-F816 HydrophobicContact CZ-CE2 3.86Å; F687-F816 HydrophobicContact CZ-CZ 4.16Å; F687-K1214 HydrophobicContact CD1-CB 4.33Å; F687-I1215 HydrophobicContact CE1-CG1 3.78Å; F687-I1215 HydrophobicContact CZ-CG1 4.26Å; F687-Y1247 HydrophobicContact CB-CE2 4.33Å | ||
| 688 | I | 77.1 | Confident | 62.8 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | -173.1 | -63.5 | 138.2 | 0 | 0 | 0 | 114.7 | A690 E691 G692 F816 L817 L820 S1218 L1254 | I688-A690 VanDerWaalsContact C-N 3.27Å; I688-A690 PolarHBondContact O-N 3.36Å; I688-E691 PolarHBondContact O-N 2.96Å; I688-G692 PolarHBondContact O-N 2.75Å; I688-F816 HydrophobicContact CD1-CB 3.23Å; I688-F816 HydrophobicContact CD1-CD1 3.94Å; I688-F816 HydrophobicContact CD1-CD2 3.93Å; I688-F816 HydrophobicContact CD1-CG 3.47Å; I688-F816 VanDerWaalsContact CD1-CG 3.47Å; I688-F816 HydrophobicContact CG1-CB 3.9Å; I688-F816 HydrophobicContact CG1-CG 4.46Å; I688-L817 HydrophobicContact CG2-CB 4.13Å; I688-L817 HydrophobicContact CG2-CD1 4.05Å; I688-L820 HydrophobicContact CG2-CD1 3.93Å; I688-S1218 VanDerWaalsContact CD1-CB 3.44Å; I688-S1218 WeakPolarHBondContact CD1-OG 3.46Å; I688-L1254 HydrophobicContact CG2-CD2 3.84Å |
| 689 | P | 74.2 | Confident | 63.2 | Low | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -48.4 | -41.3 | 169.5 | -35.8 | 37.7 | 0 | 0 | 0 | 115.6 | D686 C693 Y1247 R1250 L1251 | D686-P689 VanDerWaalsContact O-CD 3.28Å; D686-P689 WeakPolarHBondContact O-CD 3.45Å; P689-C693 WeakPolarHBondContact O-CB 3.48Å; P689-C693 PolarHBondContact O-N 3.46Å; P689-C693 PolarHBondContact O-SG 3.26Å; P689-Y1247 WeakPolarHBondContact CD-OH 3.27Å; P689-Y1247 HydrophobicContact CG-CD2 4.24Å; P689-Y1247 HydrophobicContact CG-CE2 3.62Å; P689-R1250 HydrophobicContact CB-CB 3.83Å; P689-L1251 HydrophobicContact CG-CB 4.07Å; P689-L1251 HydrophobicContact CG-CD1 4.21Å |
| 690 | A | 68.4 | Low | 62.9 | Low | 20 Ų | 20 | 39.4 Ų | 39.4 | 17% | 0.165 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -80 | -33.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D686 F687 I688 R694 | D686-A690 HydrophobicContact CB-CB 3.41Å; D686-A690 VanDerWaalsContact CB-CB 3.41Å; F687-A690 PolarHBondContact O-N 3.22Å; F687-A690 VanDerWaalsContact O-N 3.12Å; I688-A690 VanDerWaalsContact C-N 3.27Å; I688-A690 PolarHBondContact O-N 3.36Å; A690-R694 WeakPolarHBondContact O-CB 3.32Å; A690-R694 PolarHBondContact O-N 3.49Å |
| 691 | E | 68.8 | Low | 62.6 | Low | 35 Ų | 35 | 40.4 Ų | 40.4 | 16% | 0.164 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -57.4 | 172 | -174.7 | -172.7 | -167.8 | 0 | 0 | 110.4 | F687 I688 C693 R694 L695 S814 L817 | F687-E691 PolarHBondContact O-N 3.42Å; I688-E691 PolarHBondContact O-N 2.96Å; E691-C693 PolarHBondContact O-N 2.99Å; E691-R694 PolarHBondContact O-N 3.38Å; E691-R694 VanDerWaalsContact O-N 3.15Å; E691-L695 HydrophobicContact CG-CD1 4.27Å; E691-L695 PolarHBondContact O-N 3.41Å; E691-S814 WeakPolarHBondContact OE1-CB 3.36Å; E691-S814 WeakPolarHBondContact OE2-CB 3.31Å; E691-S814 PolarHBondContact OE2-OG 2.81Å; E691-S814 VanDerWaalsContact OE2-OG 3.08Å; E691-L817 HydrophobicContact CG-CD2 3.84Å |
| 692 | G | 68.2 | Low | 62.1 | Low | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I688 R694 L695 L696 | I688-G692 PolarHBondContact O-N 2.75Å; G692-R694 PolarHBondContact O-N 3.44Å; G692-L695 PolarHBondContact O-N 2.69Å; G692-L696 VanDerWaalsContact O-CB 3.3Å; G692-L696 WeakPolarHBondContact O-CB 3.27Å; G692-L696 WeakPolarHBondContact O-CG 3.5Å; G692-L696 PolarHBondContact O-N 3.1Å |
| 693 | C | 68.2 | Low | 61.7 | Low | 18 Ų | 18 | 38.4 Ų | 38.4 | 12% | 0.122 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.4 | -9.6 | 175.5 | -66.8 | 0 | 0 | 0 | 0 | 114 | P689 E691 R1257 | P689-C693 WeakPolarHBondContact O-CB 3.48Å; P689-C693 PolarHBondContact O-N 3.46Å; P689-C693 PolarHBondContact O-SG 3.26Å; E691-C693 PolarHBondContact O-N 2.99Å; C693-R1257 PolarHBondContact O-NH1 2.8Å |
| 694 | R | 61.9 | Low | 61.9 | Low | 39 Ų | 39 | 38.1 Ų | 38.1 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -88.9 | -38.1 | 171.3 | -166.5 | -179.1 | -167.6 | -159.1 | 0.9 | 111.9 | G624 S626 A690 E691 G692 | G624-R694 PolarHBondContact O-NE 3.46Å; G624-R694 PolarHBondContact O-NH1 2.82Å; G624-R694 PolarHBondContact O-NH2 3.39Å; S626-R694 PolarHBondContact OG-NH2 2.93Å; S626-R694 VanDerWaalsContact OG-NH2 3.11Å; A690-R694 WeakPolarHBondContact O-CB 3.32Å; A690-R694 PolarHBondContact O-N 3.49Å; E691-R694 PolarHBondContact O-N 3.38Å; E691-R694 VanDerWaalsContact O-N 3.15Å; G692-R694 PolarHBondContact O-N 3.44Å |
| 695 | L | 64.5 | Low | 62.5 | Low | 17 Ų | 17 | 32.5 Ų | 32.5 | 9% | 0.089 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.7 | -45.4 | 176.7 | -69.7 | 165.5 | 0 | 0 | 0 | 112 | S622 T623 E691 G692 I697 L812 L817 | S622-L695 WeakPolarHBondContact O-CD2 3.48Å; T623-L695 VanDerWaalsContact C-CD2 3.5Å; E691-L695 HydrophobicContact CG-CD1 4.27Å; E691-L695 PolarHBondContact O-N 3.41Å; G692-L695 PolarHBondContact O-N 2.69Å; L695-I697 PolarHBondContact O-N 2.68Å; L695-L812 HydrophobicContact CD1-CD2 3.78Å; L695-L817 HydrophobicContact CD1-CD2 3.6Å |
| 696 | L | 62.8 | Low | 63 | Low | 16 Ų | 16 | 31.7 Ų | 31.7 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -84.9 | 96 | 177.7 | -59.3 | 166.6 | 0 | 0 | 0 | 109.1 | G692 L1254 R1257 L1258 | G692-L696 VanDerWaalsContact O-CB 3.3Å; G692-L696 WeakPolarHBondContact O-CB 3.27Å; G692-L696 WeakPolarHBondContact O-CG 3.5Å; G692-L696 PolarHBondContact O-N 3.1Å; L696-L1254 HydrophobicContact CD1-CD1 3.62Å; L696-R1257 HydrophobicContact CB-CB 4.14Å; L696-R1257 HydrophobicContact CD1-CB 4.19Å; L696-R1257 WeakPolarHBondContact O-CD 3.34Å; L696-R1257 PolarHBondContact O-NH1 3.03Å; L696-L1258 HydrophobicContact CD1-CD2 3.49Å; L696-L1258 VanDerWaalsContact CD1-CD2 3.49Å; L696-L1258 HydrophobicContact CD1-CG 3.7Å; L696-L1258 HydrophobicContact CD2-CD2 4.47Å |
| 697 | I | 56.3 | Low | 63.3 | Low | 95 Ų | 95 | 31.1 Ų | 31.1 | 49% | 0.487 | 17% | 0.165 | S | C | . | . | trans | -50.4 | 147.8 | 166 | -55.9 | -177 | 0 | 0 | 0 | 108.8 | L695 L801 | L695-I697 PolarHBondContact O-N 2.68Å; I697-L801 HydrophobicContact CB-CD2 4.34Å; I697-L801 HydrophobicContact CD1-CD1 3.78Å; I697-L801 HydrophobicContact CD1-CD2 3.79Å; I697-L801 HydrophobicContact CD1-CG 4.48Å; I697-L801 HydrophobicContact CG1-CD2 3.97Å | ||
| 698 | K | 52.5 | Low | 63.3 | Low | 78 Ų | 78 | 32 Ų | 32 | 34% | 0.339 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -55.6 | 149.9 | 178.9 | -75.6 | -178.9 | 175.4 | 173.5 | 0 | 111.2 | D700 E1292 P1543 | K698-D700 PolarHBondContact O-N 2.81Å; K698-E1292 WeakPolarHBondContact CE-OE1 3.44Å; K698-P1543 HydrophobicContact CD-CG 4.41Å |
| 699 | Y | 49.2 | Very low | 63.4 | Low | 51 Ų | 51 | 32.8 Ų | 32.8 | 20% | 0.2 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -31.7 | 124 | 172.6 | -82.5 | -101.9 | 0 | 0 | 0 | 112.4 | S701 F1256 D1296 | Y699-S701 PolarHBondContact O-N 2.9Å; Y699-S701 VanDerWaalsContact O-N 3.1Å; Y699-F1256 PolarHBondContact OH-O 3.12Å; Y699-F1256 VanDerWaalsContact OH-O 3.07Å; Y699-D1296 HydrophobicContact CE1-CB 4.3Å |
| 700 | D | 43.6 | Very low | 63.8 | Low | 54 Ų | 54 | 32.8 Ų | 32.8 | 29% | 0.289 | 17% | 0.174 | S | C | . | . | trans | -39.1 | 107.5 | -169.5 | -21.7 | -39.6 | 0 | 0 | 0 | 113.6 | K698 I702 K1259 R1676 | K698-D700 PolarHBondContact O-N 2.81Å; D700-I702 WeakPolarHBondContact O-CG1 3.34Å; D700-I702 PolarHBondContact O-N 3.43Å; D700-K1259 IonicContact OD1-NZ 3.77Å; D700-K1259 PolarHBondContact OD1-NZ 3.37Å; D700-K1259 IonicContact OD2-NZ 3.31Å; D700-R1676 IonicContact OD2-CZ 3.69Å; D700-R1676 IonicContact OD2-NE 3.06Å; D700-R1676 IonicContact OD2-NH2 3.93Å; D700-R1676 PolarHBondContact OD2-NH2 2.97Å | ||
| 701 | S | 44.5 | Very low | 64.5 | Low | 42 Ų | 42 | 31.9 Ų | 31.9 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 36.3 | 13.9 | 148.7 | 47.6 | 0 | 0 | 0 | 0 | 122.7 | Y699 G703 D1675 | Y699-S701 PolarHBondContact O-N 2.9Å; Y699-S701 VanDerWaalsContact O-N 3.1Å; S701-G703 PolarHBondContact O-N 2.92Å; S701-D1675 VanDerWaalsContact CB-OD2 3.28Å; S701-D1675 WeakPolarHBondContact CB-OD2 3.38Å; S701-D1675 PolarHBondContact OG-OD2 3.43Å |
| 702 | I | 47.1 | Very low | 65.2 | Low | 122 Ų | 122 | 30.7 Ų | 30.7 | 63% | 0.626 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -62 | -11.5 | 178.5 | -71.9 | 153.4 | 0 | 0 | 0 | 113.4 | D700 W1295 | D700-I702 WeakPolarHBondContact O-CG1 3.34Å; D700-I702 PolarHBondContact O-N 3.43Å; I702-W1295 HydrophobicContact CB-CE3 4.5Å; I702-W1295 HydrophobicContact CG2-CE3 4.33Å; I702-W1295 HydrophobicContact CG2-CZ3 4.5Å |
| 703 | G | 53.2 | Low | 66 | Low | 21 Ų | 21 | 31.7 Ų | 31.7 | 22% | 0.216 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -128.6 | 146.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | S701 D705 | S701-G703 PolarHBondContact O-N 2.92Å; G703-D705 PolarHBondContact O-N 3.2Å |
| 704 | I | 68.4 | Low | 67 | Low | 14 Ų | 14 | 30.9 Ų | 30.9 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | trans | -53.6 | 131.2 | 176.3 | -77.1 | -167.8 | 0 | 0 | 0 | 111.5 | L706 N709 P1543 L1544 N1653 L1654 T1657 | I704-L706 HydrophobicContact CG2-CD2 4.15Å; I704-N709 VanDerWaalsContact CG2-ND2 3.31Å; I704-N709 WeakPolarHBondContact CG2-ND2 3.41Å; I704-P1543 WeakPolarHBondContact O-CA 3.5Å; I704-L1544 WeakPolarHBondContact O-CB 3.46Å; I704-L1544 PolarHBondContact O-N 3.35Å; I704-N1653 HydrophobicContact CD1-CB 4.32Å; I704-L1654 VanDerWaalsContact CD1-CA 3.49Å; I704-L1654 HydrophobicContact CD1-CB 4.06Å; I704-L1654 HydrophobicContact CD1-CD1 4.11Å; I704-L1654 HydrophobicContact CG1-CD1 4.37Å; I704-T1657 HydrophobicContact CD1-CG2 3.75Å; I704-T1657 HydrophobicContact CG1-CG2 3.77Å | ||
| 705 | D | 72 | Confident | 68.2 | Low | 11 Ų | 11 | 29 Ų | 29 | 6% | 0.059 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -88.5 | 120.9 | 162.8 | -174.8 | -3 | 0 | 0 | 0 | 110.5 | G703 M707 N708 N709 C1541 L1542 | G703-D705 PolarHBondContact O-N 3.2Å; D705-M707 VanDerWaalsContact C-N 3.33Å; D705-M707 WeakPolarHBondContact OD1-CB 3.48Å; D705-M707 PolarHBondContact OD1-N 2.9Å; D705-N708 HydrophobicContact CB-CB 4.17Å; D705-N708 PolarHBondContact O-N 3.01Å; D705-N708 PolarHBondContact OD2-ND2 3.1Å; D705-N709 PolarHBondContact O-N 3.16Å; D705-N709 PolarHBondContact O-ND2 3.43Å; D705-C1541 VanDerWaalsContact OD2-CA 3.25Å; D705-C1541 WeakPolarHBondContact OD2-CA 3.35Å; D705-C1541 WeakPolarHBondContact OD2-CB 3.42Å; D705-C1541 PolarHBondContact OD2-SG 3.14Å; D705-L1542 PolarHBondContact OD1-N 3.35Å |
| 706 | L | 75.9 | Confident | 69.2 | Low | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.7 | -26.1 | -178.4 | -63.4 | 172 | 0 | 0 | 0 | 112.6 | I704 N709 Y710 M1435 F1439 L1542 L1544 W1607 I1650 | I704-L706 HydrophobicContact CG2-CD2 4.15Å; L706-N709 PolarHBondContact O-N 3.25Å; L706-Y710 PolarHBondContact O-N 3.07Å; L706-Y710 VanDerWaalsContact O-N 3.09Å; L706-M1435 HydrophobicContact CD1-CE 3.29Å; L706-F1439 HydrophobicContact CB-CE1 4Å; L706-F1439 HydrophobicContact CB-CZ 4.45Å; L706-F1439 HydrophobicContact CD1-CE1 4.05Å; L706-F1439 HydrophobicContact CD1-CE2 4.49Å; L706-F1439 HydrophobicContact CD1-CZ 3.82Å; L706-F1439 HydrophobicContact CD2-CE1 4.37Å; L706-F1439 HydrophobicContact CD2-CZ 4.04Å; L706-F1439 HydrophobicContact CG-CE1 4.37Å; L706-F1439 HydrophobicContact CG-CZ 4.33Å; L706-L1542 HydrophobicContact CB-CD2 4.27Å; L706-L1542 HydrophobicContact CD1-CD2 3.82Å; L706-L1542 PolarHBondContact N-O 3.36Å; L706-L1542 VanDerWaalsContact N-O 3.11Å; L706-L1544 HydrophobicContact CD1-CD1 4.18Å; L706-L1544 HydrophobicContact CG-CB 4.5Å; L706-W1607 HydrophobicContact CD2-CH2 4.47Å; L706-I1650 HydrophobicContact CD2-CD1 4.47Å; L706-I1650 HydrophobicContact CD2-CG2 3.63Å |
| 707 | M | 75.3 | Confident | 70.3 | Confident | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.034 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.3 | -40.3 | 174.4 | -74 | -55.7 | -58.9 | 0 | 0 | 111.4 | D705 N709 Y710 Y711 L1442 L1542 | D705-M707 VanDerWaalsContact C-N 3.33Å; D705-M707 WeakPolarHBondContact OD1-CB 3.48Å; D705-M707 PolarHBondContact OD1-N 2.9Å; M707-N709 VanDerWaalsContact C-N 3.31Å; M707-N709 PolarHBondContact O-N 3.45Å; M707-Y710 HydrophobicContact CE-CD1 4.09Å; M707-Y710 HydrophobicContact CE-CE1 4.46Å; M707-Y710 PolarHBondContact O-N 3.04Å; M707-Y711 HydrophobicContact CB-CD2 4.3Å; M707-Y711 HydrophobicContact CB-CE2 4.01Å; M707-Y711 HydrophobicContact CE-CD2 4.46Å; M707-Y711 HydrophobicContact CE-CE1 4.12Å; M707-Y711 HydrophobicContact CE-CE2 3.63Å; M707-Y711 VanDerWaalsContact CE-CZ 3.42Å; M707-Y711 VanDerWaalsContact CE-OH 3.31Å; M707-Y711 WeakPolarHBondContact CE-OH 3.47Å; M707-Y711 WeakPolarHBondContact O-CB 3.17Å; M707-Y711 WeakPolarHBondContact O-CD2 3.44Å; M707-Y711 VanDerWaalsContact O-CG 3.32Å; M707-Y711 PolarHBondContact O-N 3.45Å; M707-L1442 HydrophobicContact CG-CD1 4.2Å; M707-L1442 HydrophobicContact CG-CD2 4.23Å; M707-L1442 HydrophobicContact SD-CB 4.13Å; M707-L1442 HydrophobicContact SD-CD1 3.48Å; M707-L1442 WeakPolarHBondContact SD-CD1 3.48Å; M707-L1442 HydrophobicContact SD-CD2 3.79Å; M707-L1442 HydrophobicContact SD-CG 4Å; M707-L1542 HydrophobicContact CG-CB 4.28Å |
| 708 | N | 77.3 | Confident | 71.8 | Confident | 28 Ų | 28 | 23.7 Ų | 23.7 | 15% | 0.15 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 175.6 | -76.2 | -20.6 | 0 | 0 | 0 | 112.1 | D705 Y711 A712 L756 | D705-N708 HydrophobicContact CB-CB 4.17Å; D705-N708 PolarHBondContact O-N 3.01Å; D705-N708 PolarHBondContact OD2-ND2 3.1Å; N708-Y711 PolarHBondContact O-N 2.65Å; N708-A712 WeakPolarHBondContact O-CB 3.31Å; N708-A712 PolarHBondContact O-N 2.95Å; N708-L756 HydrophobicContact CB-CD2 3.6Å |
| 709 | N | 79.8 | Confident | 73.4 | Confident | 16 Ų | 16 | 20 Ų | 20 | 9% | 0.086 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 174.7 | -82.2 | -103.8 | 0 | 0 | 0 | 112.3 | I704 D705 L706 M707 A712 I713 W1649 N1653 | I704-N709 VanDerWaalsContact CG2-ND2 3.31Å; I704-N709 WeakPolarHBondContact CG2-ND2 3.41Å; D705-N709 PolarHBondContact O-N 3.16Å; D705-N709 PolarHBondContact O-ND2 3.43Å; L706-N709 PolarHBondContact O-N 3.25Å; M707-N709 VanDerWaalsContact C-N 3.31Å; M707-N709 PolarHBondContact O-N 3.45Å; N709-A712 PolarHBondContact O-N 3.43Å; N709-I713 PolarHBondContact O-N 3.45Å; N709-W1649 HydrophobicContact CB-CH2 4.25Å; N709-W1649 HydrophobicContact CB-CZ3 3.92Å; N709-W1649 WeakPolarHBondContact O-CH2 3.2Å; N709-N1653 PolarHBondContact OD1-ND2 3.43Å |
| 710 | Y | 81.8 | Confident | 75.1 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 173.5 | 161.1 | -88.6 | 0 | 0 | 0 | 112 | L554 R555 W557 I560 L706 M707 A712 I713 L714 F1443 | L554-Y710 PolarHBondContact O-OH 3.17Å; R555-Y710 WeakPolarHBondContact CA-OH 3.41Å; R555-Y710 WeakPolarHBondContact CG-OH 3.17Å; W557-Y710 HydrophobicContact CH2-CD2 4.39Å; I560-Y710 HydrophobicContact CD1-CD2 3.88Å; I560-Y710 HydrophobicContact CD1-CE2 3.54Å; L706-Y710 PolarHBondContact O-N 3.07Å; L706-Y710 VanDerWaalsContact O-N 3.09Å; M707-Y710 HydrophobicContact CE-CD1 4.09Å; M707-Y710 HydrophobicContact CE-CE1 4.46Å; M707-Y710 PolarHBondContact O-N 3.04Å; Y710-A712 VanDerWaalsContact C-N 3.35Å; Y710-A712 PolarHBondContact O-N 3.06Å; Y710-I713 PolarHBondContact O-N 3.37Å; Y710-L714 HydrophobicContact CE1-CD2 3.94Å; Y710-L714 WeakPolarHBondContact O-CB 3.3Å; Y710-L714 PolarHBondContact O-N 3.38Å; Y710-L714 WeakPolarHBondContact OH-CD2 3.16Å; Y710-F1443 HydrophobicContact CD1-CE1 4.27Å; Y710-F1443 AromaticContact CD2-CE1 3.69Å; Y710-F1443 HydrophobicContact CD2-CE1 3.69Å; Y710-F1443 AromaticContact CD2-CZ 3.59Å; Y710-F1443 HydrophobicContact CD2-CZ 3.59Å; Y710-F1443 HydrophobicContact CE1-CE1 4.25Å; Y710-F1443 HydrophobicContact CE2-CD1 4.43Å; Y710-F1443 AromaticContact CE2-CE1 3.63Å; Y710-F1443 HydrophobicContact CE2-CE1 3.63Å; Y710-F1443 AromaticContact CE2-CZ 3.93Å; Y710-F1443 HydrophobicContact CE2-CZ 3.93Å; Y710-F1443 HydrophobicContact CG-CE1 4.02Å; Y710-F1443 HydrophobicContact CG-CZ 4.01Å; Y710-F1443 AromaticContact CZ-CE1 3.94Å |
| 711 | Y | 83.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.1 | -34.5 | 179.2 | -70.3 | -48.6 | 0 | 0 | 0 | 112.6 | F597 P598 T599 M707 N708 L714 L715 | F597-Y711 AromaticContact CD1-CD1 3.57Å; F597-Y711 HydrophobicContact CD1-CD1 3.57Å; F597-Y711 AromaticContact CD1-CE1 3.67Å; F597-Y711 HydrophobicContact CD1-CE1 3.67Å; F597-Y711 AromaticContact CE1-CD1 3.76Å; F597-Y711 HydrophobicContact CE1-CD1 3.76Å; F597-Y711 HydrophobicContact CE1-CE1 4.29Å; P598-Y711 WeakPolarHBondContact CD-OH 3.41Å; T599-Y711 HydrophobicContact CG2-CE2 3.82Å; T599-Y711 WeakPolarHBondContact CG2-OH 3.48Å; T599-Y711 PolarHBondContact OG1-OH 3.44Å; M707-Y711 HydrophobicContact CB-CD2 4.3Å; M707-Y711 HydrophobicContact CB-CE2 4.01Å; M707-Y711 HydrophobicContact CE-CD2 4.46Å; M707-Y711 HydrophobicContact CE-CE1 4.12Å; M707-Y711 HydrophobicContact CE-CE2 3.63Å; M707-Y711 VanDerWaalsContact CE-CZ 3.42Å; M707-Y711 VanDerWaalsContact CE-OH 3.31Å; M707-Y711 WeakPolarHBondContact CE-OH 3.47Å; M707-Y711 WeakPolarHBondContact O-CB 3.17Å; M707-Y711 WeakPolarHBondContact O-CD2 3.44Å; M707-Y711 VanDerWaalsContact O-CG 3.32Å; M707-Y711 PolarHBondContact O-N 3.45Å; N708-Y711 PolarHBondContact O-N 2.65Å; Y711-L714 PolarHBondContact O-N 3.11Å; Y711-L715 VanDerWaalsContact O-CB 3.24Å; Y711-L715 WeakPolarHBondContact O-CB 3.31Å; Y711-L715 WeakPolarHBondContact O-CD1 3.49Å; Y711-L715 VanDerWaalsContact O-CG 3.26Å; Y711-L715 WeakPolarHBondContact O-CG 3.47Å; Y711-L715 PolarHBondContact O-N 3.39Å |
| 712 | A | 83.7 | Confident | 79 | Confident | 10 Ų | 10 | 16.7 Ų | 16.7 | 8% | 0.083 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N708 N709 Y710 A716 L756 L757 | N708-A712 WeakPolarHBondContact O-CB 3.31Å; N708-A712 PolarHBondContact O-N 2.95Å; N709-A712 PolarHBondContact O-N 3.43Å; Y710-A712 VanDerWaalsContact C-N 3.35Å; Y710-A712 PolarHBondContact O-N 3.06Å; A712-A716 WeakPolarHBondContact O-CB 3.25Å; A712-A716 PolarHBondContact O-N 3.14Å; A712-A716 VanDerWaalsContact O-N 3.09Å; A712-L756 HydrophobicContact CB-CB 4.29Å; A712-L757 HydrophobicContact CB-CD2 4.23Å |
| 713 | I | 85.6 | Confident | 81.1 | Confident | 22 Ų | 22 | 10.9 Ų | 10.9 | 11% | 0.113 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.3 | -51.6 | 173.8 | -70.3 | 179.1 | 0 | 0 | 0 | 110.7 | W557 I560 I564 N709 Y710 L715 A716 T717 W1649 | W557-I713 HydrophobicContact CZ3-CD1 4.22Å; I560-I713 HydrophobicContact CG2-CG2 3.57Å; I564-I713 HydrophobicContact CD1-CG2 4.1Å; N709-I713 PolarHBondContact O-N 3.45Å; Y710-I713 PolarHBondContact O-N 3.37Å; I713-L715 VanDerWaalsContact C-N 3.26Å; I713-L715 PolarHBondContact O-N 3.25Å; I713-A716 WeakPolarHBondContact O-CB 3.47Å; I713-A716 PolarHBondContact O-N 2.96Å; I713-T717 HydrophobicContact CG2-CG2 4.26Å; I713-T717 WeakPolarHBondContact O-CG2 3.49Å; I713-T717 PolarHBondContact O-N 3.45Å; I713-W1649 HydrophobicContact CD1-CD2 3.76Å; I713-W1649 HydrophobicContact CD1-CE3 3.46Å; I713-W1649 VanDerWaalsContact CD1-CE3 3.46Å; I713-W1649 HydrophobicContact CD1-CH2 3.58Å; I713-W1649 HydrophobicContact CD1-CZ2 3.86Å; I713-W1649 HydrophobicContact CD1-CZ3 3.36Å; I713-W1649 HydrophobicContact CG1-CE3 4.38Å; I713-W1649 HydrophobicContact CG1-CH2 3.56Å; I713-W1649 HydrophobicContact CG1-CZ2 3.83Å; I713-W1649 HydrophobicContact CG1-CZ3 3.86Å |
| 714 | L | 87.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.7 | -35.9 | -176.7 | 179.7 | 64.7 | 0 | 0 | 0 | 112.8 | L554 L596 F597 Y710 Y711 T717 L718 | L554-L714 HydrophobicContact CD2-CD1 4.43Å; L596-L714 HydrophobicContact CB-CD2 4.33Å; F597-L714 HydrophobicContact CE1-CD2 3.86Å; F597-L714 HydrophobicContact CE1-CG 4.34Å; F597-L714 HydrophobicContact CZ-CD2 3.88Å; F597-L714 HydrophobicContact CZ-CG 4.08Å; Y710-L714 HydrophobicContact CE1-CD2 3.94Å; Y710-L714 WeakPolarHBondContact O-CB 3.3Å; Y710-L714 PolarHBondContact O-N 3.38Å; Y710-L714 WeakPolarHBondContact OH-CD2 3.16Å; Y711-L714 PolarHBondContact O-N 3.11Å; L714-T717 PolarHBondContact O-OG1 3.34Å; L714-T717 VanDerWaalsContact O-OG1 3.07Å; L714-L718 HydrophobicContact CD1-CD1 4.19Å; L714-L718 HydrophobicContact CG-CD1 4.18Å; L714-L718 WeakPolarHBondContact O-CB 3.35Å; L714-L718 PolarHBondContact O-N 3.38Å |
| 715 | L | 87.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -70.9 | -39.5 | 174.5 | -74.9 | 165.4 | 0 | 0 | 0 | 111.8 | F597 Y711 I713 T717 V719 L749 K752 V753 L756 | F597-L715 HydrophobicContact CE1-CD1 4.47Å; F597-L715 HydrophobicContact CE1-CD2 3.86Å; F597-L715 HydrophobicContact CE1-CG 3.9Å; F597-L715 HydrophobicContact CE2-CD2 4.43Å; F597-L715 HydrophobicContact CZ-CD2 3.57Å; F597-L715 HydrophobicContact CZ-CG 3.99Å; Y711-L715 VanDerWaalsContact O-CB 3.24Å; Y711-L715 WeakPolarHBondContact O-CB 3.31Å; Y711-L715 WeakPolarHBondContact O-CD1 3.49Å; Y711-L715 VanDerWaalsContact O-CG 3.26Å; Y711-L715 WeakPolarHBondContact O-CG 3.47Å; Y711-L715 PolarHBondContact O-N 3.39Å; I713-L715 VanDerWaalsContact C-N 3.26Å; I713-L715 PolarHBondContact O-N 3.25Å; L715-T717 PolarHBondContact O-N 2.98Å; L715-V719 WeakPolarHBondContact O-CB 3.36Å; L715-V719 VanDerWaalsContact O-CG2 3.26Å; L715-V719 WeakPolarHBondContact O-CG2 3.41Å; L715-V719 PolarHBondContact O-N 3.07Å; L715-L749 HydrophobicContact CD2-CB 4.21Å; L715-L749 HydrophobicContact CD2-CD1 4.44Å; L715-L749 HydrophobicContact CD2-CD2 4.22Å; L715-K752 HydrophobicContact CD1-CB 3.98Å; L715-V753 HydrophobicContact CB-CG2 3.85Å; L715-V753 HydrophobicContact CD1-CG2 4Å; L715-V753 HydrophobicContact CD2-CG2 4.18Å; L715-V753 HydrophobicContact CG-CG2 4.23Å; L715-L756 HydrophobicContact CD1-CD1 4.29Å |
| 716 | A | 85.6 | Confident | 84.4 | Confident | 7 Ų | 7 | 11.3 Ų | 11.3 | 6% | 0.058 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A712 I713 V719 E720 | A712-A716 WeakPolarHBondContact O-CB 3.25Å; A712-A716 PolarHBondContact O-N 3.14Å; A712-A716 VanDerWaalsContact O-N 3.09Å; I713-A716 WeakPolarHBondContact O-CB 3.47Å; I713-A716 PolarHBondContact O-N 2.96Å; A716-V719 PolarHBondContact O-N 3.29Å; A716-E720 VanDerWaalsContact O-CB 3.25Å; A716-E720 WeakPolarHBondContact O-CB 3.39Å; A716-E720 PolarHBondContact O-N 2.98Å |
| 717 | T | 85.4 | Confident | 85 | Confident | 5 Ų | 5 | 11.2 Ų | 11.2 | 3% | 0.031 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | -178.8 | 65.3 | 0 | 0 | 0 | 0 | 113.2 | I564 I713 L714 L715 E720 A721 | I564-T717 HydrophobicContact CD1-CG2 3.82Å; I564-T717 HydrophobicContact CG1-CG2 3.34Å; I713-T717 HydrophobicContact CG2-CG2 4.26Å; I713-T717 WeakPolarHBondContact O-CG2 3.49Å; I713-T717 PolarHBondContact O-N 3.45Å; L714-T717 PolarHBondContact O-OG1 3.34Å; L714-T717 VanDerWaalsContact O-OG1 3.07Å; L715-T717 PolarHBondContact O-N 2.98Å; T717-E720 PolarHBondContact O-N 2.88Å; T717-A721 WeakPolarHBondContact O-CB 3.1Å; T717-A721 PolarHBondContact O-N 3.04Å |
| 718 | L | 88.1 | Confident | 85.6 | Confident | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.021 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.9 | -42.3 | 176.3 | -101 | 153.3 | 0 | 0 | 0 | 112.2 | L571 L575 L593 L596 F597 L714 E720 A721 G722 L723 | L571-L718 HydrophobicContact CD1-CD2 4.29Å; L575-L718 WeakPolarHBondContact CD1-O 3.41Å; L593-L718 HydrophobicContact CD2-CD1 4.43Å; L596-L718 HydrophobicContact CD1-CD1 4.33Å; F597-L718 HydrophobicContact CE2-CD1 3.9Å; F597-L718 HydrophobicContact CZ-CD1 3.9Å; L714-L718 HydrophobicContact CD1-CD1 4.19Å; L714-L718 HydrophobicContact CG-CD1 4.18Å; L714-L718 WeakPolarHBondContact O-CB 3.35Å; L714-L718 PolarHBondContact O-N 3.38Å; L718-E720 VanDerWaalsContact C-N 3.34Å; L718-A721 CarbonylContact O-C 3.59Å; L718-A721 PolarHBondContact O-N 3.21Å; L718-G722 PolarHBondContact O-N 3.06Å; L718-L723 HydrophobicContact CB-CB 4.2Å; L718-L723 HydrophobicContact CB-CD2 3.98Å; L718-L723 WeakPolarHBondContact O-CB 3.39Å; L718-L723 PolarHBondContact O-N 3.27Å |
| 719 | V | 87.1 | Confident | 86 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L715 A716 A721 G722 Y724 A763 R766 | L715-V719 WeakPolarHBondContact O-CB 3.36Å; L715-V719 VanDerWaalsContact O-CG2 3.26Å; L715-V719 WeakPolarHBondContact O-CG2 3.41Å; L715-V719 PolarHBondContact O-N 3.07Å; A716-V719 PolarHBondContact O-N 3.29Å; V719-A721 VanDerWaalsContact C-N 3.3Å; V719-A721 PolarHBondContact O-N 2.66Å; V719-G722 PolarHBondContact O-N 3.44Å; V719-G722 VanDerWaalsContact O-N 3.09Å; V719-Y724 HydrophobicContact CB-CE2 4.32Å; V719-Y724 HydrophobicContact CG1-CD2 3.9Å; V719-Y724 HydrophobicContact CG1-CE2 3.62Å; V719-Y724 HydrophobicContact CG2-CD2 4.19Å; V719-Y724 HydrophobicContact CG2-CE1 4.23Å; V719-Y724 HydrophobicContact CG2-CE2 3.63Å; V719-A763 HydrophobicContact CB-CB 4.2Å; V719-A763 HydrophobicContact CG1-CB 3.81Å; V719-R766 HydrophobicContact CG1-CB 4.24Å; V719-R766 HydrophobicContact CG1-CG 4.41Å; V719-R766 VanDerWaalsContact O-CZ 3.3Å; V719-R766 PolarHBondContact O-NE 2.99Å; V719-R766 PolarHBondContact O-NH2 3.35Å |
| 720 | E | 84.1 | Confident | 86.3 | Confident | 59 Ų | 59 | 16.3 Ų | 16.3 | 28% | 0.276 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 174.7 | -172 | 130.8 | -146.9 | 0 | 0 | 112.3 | A716 T717 L718 G722 R766 Y1701 | A716-E720 VanDerWaalsContact O-CB 3.25Å; A716-E720 WeakPolarHBondContact O-CB 3.39Å; A716-E720 PolarHBondContact O-N 2.98Å; T717-E720 PolarHBondContact O-N 2.88Å; L718-E720 VanDerWaalsContact C-N 3.34Å; E720-G722 VanDerWaalsContact C-N 3.29Å; E720-G722 PolarHBondContact O-N 3.49Å; E720-R766 PolarHBondContact O-NH1 3.03Å; E720-R766 VanDerWaalsContact O-NH1 3.08Å; E720-R766 PolarHBondContact O-NH2 2.81Å; E720-Y1701 HydrophobicContact CG-CE1 4.47Å; E720-Y1701 WeakPolarHBondContact OE2-CE2 3.13Å |
| 721 | A | 85.7 | Confident | 86.6 | Confident | 6 Ų | 6 | 16.2 Ų | 16.2 | 5% | 0.05 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 0.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L568 L571 Q572 L575 T717 L718 V719 | L568-A721 HydrophobicContact CD1-CB 4.16Å; L571-A721 HydrophobicContact CB-CB 3.91Å; Q572-A721 HydrophobicContact CG-CB 3.94Å; L575-A721 HydrophobicContact CD1-CB 3.67Å; L575-A721 WeakPolarHBondContact CD1-O 3.48Å; T717-A721 WeakPolarHBondContact O-CB 3.1Å; T717-A721 PolarHBondContact O-N 3.04Å; L718-A721 CarbonylContact O-C 3.59Å; L718-A721 PolarHBondContact O-N 3.21Å; V719-A721 VanDerWaalsContact C-N 3.3Å; V719-A721 PolarHBondContact O-N 2.66Å |
| 722 | G | 85.4 | Confident | 86.8 | Confident | 11 Ų | 11 | 19.6 Ų | 19.6 | 11% | 0.113 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | 29.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | L718 V719 E720 Y724 E725 A726 | L718-G722 PolarHBondContact O-N 3.06Å; V719-G722 PolarHBondContact O-N 3.44Å; V719-G722 VanDerWaalsContact O-N 3.09Å; E720-G722 VanDerWaalsContact C-N 3.29Å; E720-G722 PolarHBondContact O-N 3.49Å; G722-Y724 PolarHBondContact O-N 3.15Å; G722-E725 VanDerWaalsContact CA-OE2 3.31Å; G722-E725 WeakPolarHBondContact CA-OE2 3.48Å; G722-E725 PolarHBondContact O-N 3.39Å; G722-A726 WeakPolarHBondContact O-CB 3.32Å; G722-A726 PolarHBondContact O-N 2.86Å; G722-A726 VanDerWaalsContact O-N 3.12Å |
| 723 | L | 89.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.1 | -39.6 | -176.1 | 176.9 | 66.5 | 0 | 0 | 0 | 114.1 | L575 L593 L718 L727 L749 | L575-L723 HydrophobicContact CD1-CB 4.33Å; L575-L723 HydrophobicContact CD2-CD1 3.85Å; L593-L723 HydrophobicContact CD1-CD1 4Å; L593-L723 HydrophobicContact CD2-CD1 4.38Å; L718-L723 HydrophobicContact CB-CB 4.2Å; L718-L723 HydrophobicContact CB-CD2 3.98Å; L718-L723 WeakPolarHBondContact O-CB 3.39Å; L718-L723 PolarHBondContact O-N 3.27Å; L723-L727 HydrophobicContact CD1-CD1 3.75Å; L723-L727 HydrophobicContact CD1-CG 3.99Å; L723-L727 HydrophobicContact CD2-CD1 4.46Å; L723-L727 HydrophobicContact CG-CD1 3.87Å; L723-L727 HydrophobicContact CG-CG 4.42Å; L723-L727 WeakPolarHBondContact O-CB 3.14Å; L723-L727 WeakPolarHBondContact O-CG 3.02Å; L723-L727 PolarHBondContact O-N 3.28Å; L723-L749 HydrophobicContact CD2-CD1 3.94Å |
| 724 | Y | 88.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72 | -45.5 | -177.3 | -63.7 | -44.9 | 0 | 0 | 0 | 111.1 | V719 G722 A726 L727 I728 L746 A750 V753 L767 | V719-Y724 HydrophobicContact CB-CE2 4.32Å; V719-Y724 HydrophobicContact CG1-CD2 3.9Å; V719-Y724 HydrophobicContact CG1-CE2 3.62Å; V719-Y724 HydrophobicContact CG2-CD2 4.19Å; V719-Y724 HydrophobicContact CG2-CE1 4.23Å; V719-Y724 HydrophobicContact CG2-CE2 3.63Å; G722-Y724 PolarHBondContact O-N 3.15Å; Y724-A726 PolarHBondContact O-N 3.42Å; Y724-L727 PolarHBondContact O-N 2.98Å; Y724-I728 WeakPolarHBondContact O-CB 3.23Å; Y724-I728 WeakPolarHBondContact O-CD1 3.38Å; Y724-I728 VanDerWaalsContact O-CG1 3.24Å; Y724-I728 WeakPolarHBondContact O-CG1 3.47Å; Y724-I728 PolarHBondContact O-N 3.43Å; Y724-L746 HydrophobicContact CD1-CD1 3.74Å; Y724-L746 HydrophobicContact CE1-CD1 4.35Å; Y724-A750 HydrophobicContact CE1-CB 4.34Å; Y724-V753 WeakPolarHBondContact OH-CB 3.44Å; Y724-V753 WeakPolarHBondContact OH-CG2 3.43Å; Y724-L767 HydrophobicContact CD1-CD1 3.78Å; Y724-L767 HydrophobicContact CD2-CB 4.23Å; Y724-L767 HydrophobicContact CD2-CD1 3.96Å; Y724-L767 HydrophobicContact CE1-CD1 3.64Å; Y724-L767 HydrophobicContact CE2-CB 3.94Å; Y724-L767 HydrophobicContact CE2-CD1 3.8Å; Y724-L767 HydrophobicContact CG-CD1 3.94Å |
| 725 | E | 86.1 | Confident | 86.6 | Confident | 47 Ų | 47 | 27.1 Ų | 27.1 | 22% | 0.22 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -28.6 | 178.4 | -54.2 | 92.3 | 132.4 | 0 | 0 | 111.8 | G722 R729 R766 A770 | G722-E725 VanDerWaalsContact CA-OE2 3.31Å; G722-E725 WeakPolarHBondContact CA-OE2 3.48Å; G722-E725 PolarHBondContact O-N 3.39Å; E725-R729 PolarHBondContact O-NH1 3.18Å; E725-R766 IonicContact OE1-CZ 3.79Å; E725-R766 IonicContact OE1-NE 3.34Å; E725-R766 PolarHBondContact OE1-NE 3.27Å; E725-R766 IonicContact OE1-NH2 3.46Å; E725-R766 PolarHBondContact OE1-NH2 3.16Å; E725-A770 HydrophobicContact CG-CB 4.28Å |
| 726 | A | 88.2 | Confident | 86.5 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -81.3 | -47.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L575 L578 G722 Y724 R729 A730 | L575-A726 HydrophobicContact CB-CB 4.1Å; L575-A726 WeakPolarHBondContact O-CB 3.47Å; L578-A726 HydrophobicContact CB-CB 4.31Å; L578-A726 HydrophobicContact CD2-CB 4.04Å; L578-A726 HydrophobicContact CG-CB 4.28Å; G722-A726 WeakPolarHBondContact O-CB 3.32Å; G722-A726 PolarHBondContact O-N 2.86Å; G722-A726 VanDerWaalsContact O-N 3.12Å; Y724-A726 PolarHBondContact O-N 3.42Å; A726-R729 PolarHBondContact O-N 3.36Å; A726-A730 PolarHBondContact O-N 3.39Å |
| 727 | L | 89.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | -179 | -77.4 | 174.5 | 0 | 0 | 0 | 112.7 | L578 L590 L723 Y724 R729 A730 V731 A742 L745 L746 | L578-L727 HydrophobicContact CD2-CD2 4.14Å; L590-L727 HydrophobicContact CD2-CD2 3.87Å; L723-L727 HydrophobicContact CD1-CD1 3.75Å; L723-L727 HydrophobicContact CD1-CG 3.99Å; L723-L727 HydrophobicContact CD2-CD1 4.46Å; L723-L727 HydrophobicContact CG-CD1 3.87Å; L723-L727 HydrophobicContact CG-CG 4.42Å; L723-L727 WeakPolarHBondContact O-CB 3.14Å; L723-L727 WeakPolarHBondContact O-CG 3.02Å; L723-L727 PolarHBondContact O-N 3.28Å; Y724-L727 PolarHBondContact O-N 2.98Å; L727-R729 VanDerWaalsContact C-N 3.29Å; L727-R729 PolarHBondContact O-N 2.93Å; L727-A730 CarbonylContact O-C 3.59Å; L727-A730 PolarHBondContact O-N 3.38Å; L727-A730 VanDerWaalsContact O-N 3.08Å; L727-V731 WeakPolarHBondContact O-CG2 3.43Å; L727-V731 PolarHBondContact O-N 3.44Å; L727-A742 HydrophobicContact CD2-CB 4.49Å; L727-L745 HydrophobicContact CD2-CD2 4.19Å; L727-L746 HydrophobicContact CB-CB 4.32Å; L727-L746 HydrophobicContact CB-CD1 4.15Å; L727-L746 HydrophobicContact CD1-CB 4.23Å; L727-L746 HydrophobicContact CD1-CD1 4.22Å |
| 728 | I | 87.2 | Confident | 86.6 | Confident | 19 Ų | 19 | 32.3 Ų | 32.3 | 10% | 0.097 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 176.4 | -66.3 | 161.8 | 0 | 0 | 0 | 110.5 | Y724 V731 S732 L746 A770 L772 A783 | Y724-I728 WeakPolarHBondContact O-CB 3.23Å; Y724-I728 WeakPolarHBondContact O-CD1 3.38Å; Y724-I728 VanDerWaalsContact O-CG1 3.24Å; Y724-I728 WeakPolarHBondContact O-CG1 3.47Å; Y724-I728 PolarHBondContact O-N 3.43Å; I728-V731 PolarHBondContact O-N 3.44Å; I728-S732 PolarHBondContact O-OG 3.43Å; I728-L746 HydrophobicContact CG1-CD2 3.9Å; I728-A770 HydrophobicContact CD1-CB 4.21Å; I728-L772 HydrophobicContact CD1-CD1 4.36Å; I728-L772 HydrophobicContact CD1-CD2 3.73Å; I728-L772 HydrophobicContact CD1-CG 3.77Å; I728-L772 HydrophobicContact CG1-CD2 4.15Å; I728-A783 HydrophobicContact CG1-CB 4.19Å; I728-A783 HydrophobicContact CG2-CB 4.31Å |
| 729 | R | 85.7 | Confident | 86.6 | Confident | 139 Ų | 139 | 32.9 Ų | 32.9 | 53% | 0.525 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.6 | -33.6 | 173.8 | -73.9 | -179 | 175.8 | 86.6 | -4.3 | 113.2 | E725 A726 L727 V731 S732 | E725-R729 PolarHBondContact O-NH1 3.18Å; A726-R729 PolarHBondContact O-N 3.36Å; L727-R729 VanDerWaalsContact C-N 3.29Å; L727-R729 PolarHBondContact O-N 2.93Å; R729-V731 VanDerWaalsContact C-N 3.34Å; R729-S732 WeakPolarHBondContact CA-OG 2.95Å; R729-S732 PolarHBondContact O-N 3.42Å; R729-S732 PolarHBondContact O-OG 3.21Å |
| 730 | A | 87.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.2 | -20.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L578 A726 L727 D733 A742 | L578-A730 HydrophobicContact CD1-CB 4.17Å; L578-A730 HydrophobicContact CG-CB 4.41Å; A726-A730 PolarHBondContact O-N 3.39Å; L727-A730 CarbonylContact O-C 3.59Å; L727-A730 PolarHBondContact O-N 3.38Å; L727-A730 VanDerWaalsContact O-N 3.08Å; A730-D733 WeakPolarHBondContact O-CB 3.5Å; A730-D733 PolarHBondContact O-N 3.04Å; A730-A742 HydrophobicContact CB-CB 3.73Å |
| 731 | V | 87.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.4 | -33.7 | 169.3 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L727 I728 R729 D733 S739 A742 L782 A783 | L727-V731 WeakPolarHBondContact O-CG2 3.43Å; L727-V731 PolarHBondContact O-N 3.44Å; I728-V731 PolarHBondContact O-N 3.44Å; R729-V731 VanDerWaalsContact C-N 3.34Å; V731-D733 PolarHBondContact O-N 3.38Å; V731-S739 WeakPolarHBondContact O-CB 3.49Å; V731-S739 PolarHBondContact O-OG 2.94Å; V731-A742 HydrophobicContact CG2-CB 3.99Å; V731-L782 HydrophobicContact CG1-CB 3.68Å; V731-A783 HydrophobicContact CG1-CB 4.48Å |
| 732 | S | 86.3 | Confident | 87 | Confident | 71 Ų | 71 | 31.6 Ų | 31.6 | 50% | 0.497 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 16 | 172 | 38.2 | 0 | 0 | 0 | 0 | 115.4 | I728 R729 | I728-S732 PolarHBondContact O-OG 3.43Å; R729-S732 WeakPolarHBondContact CA-OG 2.95Å; R729-S732 PolarHBondContact O-N 3.42Å; R729-S732 PolarHBondContact O-OG 3.21Å |
| 733 | D | 85.5 | Confident | 87.1 | Confident | 11 Ų | 11 | 31.1 Ų | 31.1 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | trans | -71.6 | 136.7 | 174.2 | -161.4 | -45.1 | 0 | 0 | 0 | 111.5 | T583 R586 A730 V731 N735 T738 | T583-D733 VanDerWaalsContact CG2-OD1 3.29Å; T583-D733 WeakPolarHBondContact CG2-OD1 3.17Å; R586-D733 WeakPolarHBondContact CD-OD2 3.33Å; R586-D733 IonicContact CZ-OD2 3.61Å; R586-D733 IonicContact NE-OD2 3.13Å; R586-D733 VanDerWaalsContact NH1-CG 3.28Å; R586-D733 IonicContact NH1-OD2 2.76Å; R586-D733 PolarHBondContact NH1-OD2 3Å; A730-D733 WeakPolarHBondContact O-CB 3.5Å; A730-D733 PolarHBondContact O-N 3.04Å; V731-D733 PolarHBondContact O-N 3.38Å; D733-N735 PolarHBondContact O-N 3.48Å; D733-N735 PolarHBondContact OD1-N 2.95Å; D733-T738 HydrophobicContact CB-CG2 4.37Å | ||
| 734 | S | 82.2 | Confident | 87.1 | Confident | 122 Ų | 122 | 31.1 Ų | 31.1 | 85% | 0.853 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -67.9 | -22.7 | 176.4 | 59.3 | 0 | 0 | 0 | 0 | 113 | Q736 | S734-Q736 PolarHBondContact O-N 3.1Š|
| 735 | N | 86.2 | Confident | 87.2 | Confident | 58 Ų | 58 | 31 Ų | 31 | 31% | 0.31 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -78.2 | 101.5 | 169.5 | -178.7 | -8.9 | 0 | 0 | 0 | 110 | T583 D733 V737 T738 S739 | T583-N735 HydrophobicContact CG2-CB 4.18Å; D733-N735 PolarHBondContact O-N 3.48Å; D733-N735 PolarHBondContact OD1-N 2.95Å; N735-V737 PolarHBondContact O-N 3.11Å; N735-V737 VanDerWaalsContact O-N 3.08Å; N735-V737 PolarHBondContact OD1-N 3.22Å; N735-V737 VanDerWaalsContact OD1-N 3.14Å; N735-T738 WeakPolarHBondContact CB-OG1 3.37Å; N735-T738 VanDerWaalsContact CG-OG1 3.3Å; N735-T738 PolarHBondContact ND2-OG1 2.93Å; N735-T738 WeakPolarHBondContact O-CA 3.47Å; N735-T738 VanDerWaalsContact O-CB 3.28Å; N735-T738 WeakPolarHBondContact O-CB 3.39Å; N735-T738 PolarHBondContact O-N 3.27Å; N735-T738 PolarHBondContact O-OG1 2.83Å; N735-S739 PolarHBondContact O-N 3.48Å |
| 736 | Q | 85.2 | Confident | 87.4 | Confident | 92 Ų | 92 | 28.8 Ų | 28.8 | 43% | 0.43 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -47.4 | -37.3 | 179.8 | -137.9 | -178.2 | -3.5 | 0 | 0 | 114.2 | K608 S734 T738 S739 T740 | K608-Q736 HydrophobicContact CB-CB 4.36Å; K608-Q736 HydrophobicContact CB-CG 4.25Å; K608-Q736 VanDerWaalsContact O-CG 3.31Å; K608-Q736 WeakPolarHBondContact O-CG 3.16Å; K608-Q736 PolarHBondContact O-NE2 3.23Å; S734-Q736 PolarHBondContact O-N 3.1Å; Q736-T738 VanDerWaalsContact C-N 3.31Å; Q736-T738 PolarHBondContact O-N 3.24Å; Q736-S739 PolarHBondContact O-N 3.04Å; Q736-T740 WeakPolarHBondContact O-CG2 3.26Å; Q736-T740 PolarHBondContact O-N 3.22Å; Q736-T740 PolarHBondContact O-OG1 3.47Å |
| 737 | V | 85 | Confident | 87.3 | Confident | 30 Ų | 30 | 28.6 Ų | 28.6 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.2 | -27.2 | 178.1 | -178 | 0 | 0 | 0 | 0 | 112.1 | K608 N735 T740 R741 | K608-V737 HydrophobicContact CG-CG2 3.94Å; N735-V737 PolarHBondContact O-N 3.11Å; N735-V737 VanDerWaalsContact O-N 3.08Å; N735-V737 PolarHBondContact OD1-N 3.22Å; N735-V737 VanDerWaalsContact OD1-N 3.14Å; V737-T740 PolarHBondContact O-OG1 2.93Å; V737-R741 WeakPolarHBondContact O-CB 3.36Å; V737-R741 WeakPolarHBondContact O-CD 3.39Å; V737-R741 WeakPolarHBondContact O-CG 3.44Å; V737-R741 PolarHBondContact O-N 2.93Å |
| 738 | T | 86.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -77.3 | -43.1 | 174.1 | -42.5 | 0 | 0 | 0 | 0 | 109.9 | R586 N587 L590 D733 N735 Q736 R741 A742 | R586-T738 HydrophobicContact CB-CG2 3.88Å; N587-T738 PolarHBondContact ND2-OG1 3.37Å; L590-T738 HydrophobicContact CD1-CG2 3.81Å; D733-T738 HydrophobicContact CB-CG2 4.37Å; N735-T738 WeakPolarHBondContact CB-OG1 3.37Å; N735-T738 VanDerWaalsContact CG-OG1 3.3Å; N735-T738 PolarHBondContact ND2-OG1 2.93Å; N735-T738 WeakPolarHBondContact O-CA 3.47Å; N735-T738 VanDerWaalsContact O-CB 3.28Å; N735-T738 WeakPolarHBondContact O-CB 3.39Å; N735-T738 PolarHBondContact O-N 3.27Å; N735-T738 PolarHBondContact O-OG1 2.83Å; Q736-T738 VanDerWaalsContact C-N 3.31Å; Q736-T738 PolarHBondContact O-N 3.24Å; T738-R741 PolarHBondContact O-N 3.35Å; T738-A742 WeakPolarHBondContact O-CB 3.5Å; T738-A742 PolarHBondContact O-N 2.87Å |
| 739 | S | 88.7 | Confident | 87.2 | Confident | 15 Ų | 15 | 28.2 Ų | 28.2 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -48.2 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | V731 N735 Q736 R741 A742 G743 | V731-S739 WeakPolarHBondContact O-CB 3.49Å; V731-S739 PolarHBondContact O-OG 2.94Å; N735-S739 PolarHBondContact O-N 3.48Å; Q736-S739 PolarHBondContact O-N 3.04Å; S739-R741 PolarHBondContact O-N 2.95Å; S739-A742 PolarHBondContact O-N 3.41Å; S739-G743 PolarHBondContact O-N 2.69Å |
| 740 | T | 87.9 | Confident | 87.2 | Confident | 6 Ų | 6 | 22.1 Ų | 22.1 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 176.2 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | V607 K608 Q736 V737 A742 G743 Y744 W786 | V607-T740 PolarHBondContact O-OG1 3.13Å; K608-T740 VanDerWaalsContact C-CG2 3.43Å; K608-T740 WeakPolarHBondContact O-CG2 3.28Å; Q736-T740 WeakPolarHBondContact O-CG2 3.26Å; Q736-T740 PolarHBondContact O-N 3.22Å; Q736-T740 PolarHBondContact O-OG1 3.47Å; V737-T740 PolarHBondContact O-OG1 2.93Å; T740-A742 VanDerWaalsContact C-N 3.34Å; T740-A742 PolarHBondContact O-N 3.41Å; T740-G743 PolarHBondContact O-N 3.24Å; T740-Y744 WeakPolarHBondContact O-CB 3.37Å; T740-Y744 PolarHBondContact O-N 2.93Å; T740-W786 HydrophobicContact CG2-CH2 4.5Å; T740-W786 HydrophobicContact CG2-CZ2 4.03Å |
| 741 | R | 87.5 | Confident | 87.1 | Confident | 34 Ų | 34 | 23 Ų | 23 | 13% | 0.128 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.4 | -36.5 | 178 | -73.7 | 178.7 | 77.9 | -154.2 | 4.7 | 112.9 | N587 L590 S591 Y594 P603 V737 T738 S739 L745 | N587-R741 PolarHBondContact OD1-NH1 3.23Å; L590-R741 HydrophobicContact CD1-CB 4.15Å; S591-R741 PolarHBondContact OG-NH1 3.03Å; S591-R741 PolarHBondContact OG-NH2 3.21Å; Y594-R741 HydrophobicContact CE2-CB 4.23Å; Y594-R741 PolarHBondContact OH-O 2.74Å; P603-R741 HydrophobicContact CG-CG 4.01Å; V737-R741 WeakPolarHBondContact O-CB 3.36Å; V737-R741 WeakPolarHBondContact O-CD 3.39Å; V737-R741 WeakPolarHBondContact O-CG 3.44Å; V737-R741 PolarHBondContact O-N 2.93Å; T738-R741 PolarHBondContact O-N 3.35Å; S739-R741 PolarHBondContact O-N 2.95Å; R741-L745 VanDerWaalsContact O-CB 3.31Å; R741-L745 WeakPolarHBondContact O-CB 3.38Å; R741-L745 PolarHBondContact O-N 2.82Å |
| 742 | A | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.3 | -47.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L590 L727 A730 V731 T738 S739 T740 L745 L746 | L590-A742 HydrophobicContact CD1-CB 4.35Å; L590-A742 HydrophobicContact CD2-CB 4.28Å; L727-A742 HydrophobicContact CD2-CB 4.49Å; A730-A742 HydrophobicContact CB-CB 3.73Å; V731-A742 HydrophobicContact CG2-CB 3.99Å; T738-A742 WeakPolarHBondContact O-CB 3.5Å; T738-A742 PolarHBondContact O-N 2.87Å; S739-A742 PolarHBondContact O-N 3.41Å; T740-A742 VanDerWaalsContact C-N 3.34Å; T740-A742 PolarHBondContact O-N 3.41Å; A742-L745 PolarHBondContact O-N 3.38Å; A742-L746 WeakPolarHBondContact O-CB 3.5Å; A742-L746 PolarHBondContact O-N 3.37Å |
| 743 | G | 88.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.2 | -40.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S739 T740 L746 G747 | S739-G743 PolarHBondContact O-N 2.69Å; T740-G743 PolarHBondContact O-N 3.24Å; G743-L746 PolarHBondContact O-N 3.32Å; G743-G747 PolarHBondContact O-N 3.15Å |
| 744 | Y | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 173.8 | -173.2 | -90 | 0 | 0 | 0 | 112.2 | Y594 V600 P601 P603 T613 L617 T740 L748 W786 I790 | Y594-Y744 HydrophobicContact CE1-CD1 4.34Å; Y594-Y744 WeakPolarHBondContact OH-CD1 3.36Å; V600-Y744 HydrophobicContact CG1-CE1 4.34Å; P601-Y744 VanDerWaalsContact O-CE1 3.23Å; P601-Y744 WeakPolarHBondContact O-CE1 3.5Å; P603-Y744 HydrophobicContact CG-CD1 4.44Å; P603-Y744 HydrophobicContact CG-CG 4.49Å; T613-Y744 HydrophobicContact CG2-CD2 3.48Å; T613-Y744 VanDerWaalsContact CG2-CD2 3.48Å; T613-Y744 HydrophobicContact CG2-CE2 3.84Å; T613-Y744 HydrophobicContact CG2-CG 4.38Å; L617-Y744 HydrophobicContact CB-CE2 4.07Å; L617-Y744 WeakPolarHBondContact CD1-OH 3.38Å; L617-Y744 HydrophobicContact CD2-CE2 4.33Å; T740-Y744 WeakPolarHBondContact O-CB 3.37Å; T740-Y744 PolarHBondContact O-N 2.93Å; Y744-L748 HydrophobicContact CD1-CD1 3.87Å; Y744-L748 HydrophobicContact CE1-CD1 3.32Å; Y744-L748 PolarHBondContact O-N 3.49Å; Y744-W786 HydrophobicContact CD2-CZ3 4.13Å; Y744-I790 HydrophobicContact CD2-CD1 4.2Å; Y744-I790 HydrophobicContact CG-CD1 4.48Å |
| 745 | L | 89.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 177.6 | -172.8 | 64.6 | 0 | 0 | 0 | 111.3 | L590 L593 Y594 V600 L727 R741 A742 G747 L748 L749 | L590-L745 HydrophobicContact CD2-CD2 4.03Å; L593-L745 HydrophobicContact CB-CD2 3.78Å; L593-L745 HydrophobicContact CD1-CD2 4.05Å; Y594-L745 HydrophobicContact CD1-CD1 4.36Å; Y594-L745 HydrophobicContact CD2-CD2 4.42Å; Y594-L745 HydrophobicContact CE1-CD1 4.22Å; Y594-L745 HydrophobicContact CE2-CB 4.28Å; Y594-L745 HydrophobicContact CE2-CD2 4.24Å; V600-L745 HydrophobicContact CG1-CD1 4.12Å; L727-L745 HydrophobicContact CD2-CD2 4.19Å; R741-L745 VanDerWaalsContact O-CB 3.31Å; R741-L745 WeakPolarHBondContact O-CB 3.38Å; R741-L745 PolarHBondContact O-N 2.82Å; A742-L745 PolarHBondContact O-N 3.38Å; L745-G747 PolarHBondContact O-N 3.07Å; L745-L748 PolarHBondContact O-N 3.19Å; L745-L749 HydrophobicContact CD1-CD1 3.79Å; L745-L749 HydrophobicContact CD1-CD2 4.22Å; L745-L749 HydrophobicContact CD1-CG 3.82Å; L745-L749 HydrophobicContact CD2-CD1 4.42Å; L745-L749 HydrophobicContact CG-CD1 3.81Å; L745-L749 HydrophobicContact CG-CG 4.09Å; L745-L749 WeakPolarHBondContact O-CB 3.41Å; L745-L749 VanDerWaalsContact O-CG 3.3Å; L745-L749 WeakPolarHBondContact O-CG 3.45Å; L745-L749 PolarHBondContact O-N 2.82Å |
| 746 | L | 89.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.6 | -48.3 | 176.1 | 178.3 | 60.8 | 0 | 0 | 0 | 111.7 | Y724 L727 I728 A742 G743 A750 A783 L787 | Y724-L746 HydrophobicContact CD1-CD1 3.74Å; Y724-L746 HydrophobicContact CE1-CD1 4.35Å; L727-L746 HydrophobicContact CB-CB 4.32Å; L727-L746 HydrophobicContact CB-CD1 4.15Å; L727-L746 HydrophobicContact CD1-CB 4.23Å; L727-L746 HydrophobicContact CD1-CD1 4.22Å; I728-L746 HydrophobicContact CG1-CD2 3.9Å; A742-L746 WeakPolarHBondContact O-CB 3.5Å; A742-L746 PolarHBondContact O-N 3.37Å; G743-L746 PolarHBondContact O-N 3.32Å; L746-A750 WeakPolarHBondContact O-CB 3.19Å; L746-A750 PolarHBondContact O-N 3.39Å; L746-A783 HydrophobicContact CD2-CB 3.86Å; L746-L787 HydrophobicContact CG-CD2 4.3Å; L746-L787 HydrophobicContact CG-CG 4.41Å |
| 747 | G | 87.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 17 Ų | 17 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G743 L745 Y751 | G743-G747 PolarHBondContact O-N 3.15Å; L745-G747 PolarHBondContact O-N 3.07Å; G747-Y751 WeakPolarHBondContact O-CB 3.4Å; G747-Y751 PolarHBondContact O-N 3.43Å |
| 748 | L | 86.1 | Confident | 84.4 | Confident | 11 Ų | 11 | 17.3 Ų | 17.3 | 6% | 0.058 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -73.5 | -34.9 | -177.5 | -70.7 | 175.3 | 0 | 0 | 0 | 113.6 | V600 L617 Y744 L745 K752 I790 M794 | V600-L748 HydrophobicContact CG1-CD1 3.86Å; L617-L748 HydrophobicContact CD2-CD2 4.49Å; Y744-L748 HydrophobicContact CD1-CD1 3.87Å; Y744-L748 HydrophobicContact CE1-CD1 3.32Å; Y744-L748 PolarHBondContact O-N 3.49Å; L745-L748 PolarHBondContact O-N 3.19Å; L748-K752 PolarHBondContact O-N 2.87Å; L748-I790 HydrophobicContact CD2-CG2 3.62Å; L748-I790 HydrophobicContact CG-CG2 3.96Å; L748-M794 HydrophobicContact CD2-CE 4.49Å; L748-M794 HydrophobicContact CD2-CG 3.91Å; L748-M794 HydrophobicContact CD2-SD 3.62Å |
| 749 | L | 87.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.1 | -36.5 | 176.7 | -62.4 | -170.7 | 0 | 0 | 0 | 112 | F597 V600 L715 L723 L745 K752 V753 | F597-L749 HydrophobicContact CB-CD2 4.49Å; F597-L749 HydrophobicContact CD1-CD2 4.15Å; F597-L749 HydrophobicContact CD2-CD1 4.1Å; F597-L749 HydrophobicContact CD2-CD2 3.85Å; F597-L749 HydrophobicContact CE1-CD2 4.35Å; F597-L749 HydrophobicContact CE2-CD1 3.86Å; F597-L749 HydrophobicContact CE2-CD2 4.07Å; F597-L749 HydrophobicContact CG-CD2 3.91Å; F597-L749 HydrophobicContact CZ-CD2 4.32Å; V600-L749 HydrophobicContact CG2-CD2 4.17Å; L715-L749 HydrophobicContact CD2-CB 4.21Å; L715-L749 HydrophobicContact CD2-CD1 4.44Å; L715-L749 HydrophobicContact CD2-CD2 4.22Å; L723-L749 HydrophobicContact CD2-CD1 3.94Å; L745-L749 HydrophobicContact CD1-CD1 3.79Å; L745-L749 HydrophobicContact CD1-CD2 4.22Å; L745-L749 HydrophobicContact CD1-CG 3.82Å; L745-L749 HydrophobicContact CD2-CD1 4.42Å; L745-L749 HydrophobicContact CG-CD1 3.81Å; L745-L749 HydrophobicContact CG-CG 4.09Å; L745-L749 WeakPolarHBondContact O-CB 3.41Å; L745-L749 VanDerWaalsContact O-CG 3.3Å; L745-L749 WeakPolarHBondContact O-CG 3.45Å; L745-L749 PolarHBondContact O-N 2.82Å; L749-K752 PolarHBondContact O-N 3.14Å; L749-V753 WeakPolarHBondContact O-CG2 3.41Å; L749-V753 PolarHBondContact O-N 2.66Å |
| 750 | A | 85.7 | Confident | 82.5 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y724 L746 V753 Q754 L767 L787 | Y724-A750 HydrophobicContact CE1-CB 4.34Å; L746-A750 WeakPolarHBondContact O-CB 3.19Å; L746-A750 PolarHBondContact O-N 3.39Å; A750-V753 PolarHBondContact O-N 3.12Å; A750-Q754 PolarHBondContact O-N 3.25Å; A750-L767 HydrophobicContact CB-CD1 4.04Å; A750-L787 HydrophobicContact CB-CD2 3.44Å; A750-L787 VanDerWaalsContact CB-CD2 3.44Å |
| 751 | Y | 84.8 | Confident | 81.8 | Confident | 19 Ų | 19 | 29.4 Ų | 29.4 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.1 | -166.5 | -85.9 | 0 | 0 | 0 | 112 | G747 V753 Q754 S755 H791 M794 E798 | G747-Y751 WeakPolarHBondContact O-CB 3.4Å; G747-Y751 PolarHBondContact O-N 3.43Å; Y751-V753 VanDerWaalsContact C-N 3.34Å; Y751-V753 PolarHBondContact O-N 3.16Å; Y751-Q754 PolarHBondContact O-N 3.12Å; Y751-S755 PolarHBondContact O-N 3.21Å; Y751-S755 PolarHBondContact O-OG 3.08Å; Y751-H791 HydrophobicContact CD2-CB 4.27Å; Y751-H791 AromaticContact CD2-ND1 3.62Å; Y751-H791 AromaticContact CE2-ND1 3.63Å; Y751-M794 HydrophobicContact CD1-CB 4.09Å; Y751-M794 HydrophobicContact CD1-CE 4.19Å; Y751-M794 HydrophobicContact CD1-CG 4.27Å; Y751-M794 HydrophobicContact CD2-CB 3.83Å; Y751-M794 HydrophobicContact CD2-CG 4.3Å; Y751-M794 HydrophobicContact CE1-CB 3.83Å; Y751-M794 HydrophobicContact CE1-CE 4.16Å; Y751-M794 HydrophobicContact CE1-CG 4.45Å; Y751-M794 HydrophobicContact CE2-CB 3.54Å; Y751-M794 HydrophobicContact CE2-CG 4.47Å; Y751-M794 HydrophobicContact CG-CB 4.11Å; Y751-M794 HydrophobicContact CG-CG 4.2Å; Y751-E798 WeakPolarHBondContact CE1-OE1 3.47Å; Y751-E798 PolarHBondContact OH-OE1 3.02Å; Y751-E798 PolarHBondContact OH-OE2 3.09Å; Y751-E798 VanDerWaalsContact OH-OE2 3.1Å |
| 752 | K | 80.8 | Confident | 81.1 | Confident | 41 Ų | 41 | 30.3 Ų | 30.3 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -36 | 174.8 | -84.9 | -179.7 | 169.8 | -72.3 | 0 | 113.2 | T599 L715 L748 L749 S755 L756 | T599-K752 WeakPolarHBondContact OG1-CE 3.47Å; L715-K752 HydrophobicContact CD1-CB 3.98Å; L748-K752 PolarHBondContact O-N 2.87Å; L749-K752 PolarHBondContact O-N 3.14Å; K752-S755 PolarHBondContact O-N 3.24Å; K752-L756 HydrophobicContact CB-CD1 4.31Å; K752-L756 WeakPolarHBondContact O-CB 3.27Å; K752-L756 WeakPolarHBondContact O-CG 3.4Å; K752-L756 PolarHBondContact O-N 3.46Å |
| 753 | V | 83.6 | Confident | 80.4 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 173.2 | 162.3 | 0 | 0 | 0 | 0 | 110.9 | L715 Y724 L749 A750 Y751 S755 L756 L757 C764 | L715-V753 HydrophobicContact CB-CG2 3.85Å; L715-V753 HydrophobicContact CD1-CG2 4Å; L715-V753 HydrophobicContact CD2-CG2 4.18Å; L715-V753 HydrophobicContact CG-CG2 4.23Å; Y724-V753 WeakPolarHBondContact OH-CB 3.44Å; Y724-V753 WeakPolarHBondContact OH-CG2 3.43Å; L749-V753 WeakPolarHBondContact O-CG2 3.41Å; L749-V753 PolarHBondContact O-N 2.66Å; A750-V753 PolarHBondContact O-N 3.12Å; Y751-V753 VanDerWaalsContact C-N 3.34Å; Y751-V753 PolarHBondContact O-N 3.16Å; V753-S755 VanDerWaalsContact C-N 3.31Å; V753-S755 PolarHBondContact O-N 3.26Å; V753-L756 PolarHBondContact O-N 2.69Å; V753-L757 HydrophobicContact CG1-CD1 4.27Å; V753-L757 PolarHBondContact O-N 3.35Å; V753-C764 VanDerWaalsContact CG1-SG 3.6Å |
| 754 | Q | 80.6 | Confident | 79.7 | Confident | 108 Ų | 108 | 31.7 Ų | 31.7 | 51% | 0.505 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67 | -27.7 | 178.3 | -168.3 | 175.3 | 22 | 0 | 0 | 113.6 | A750 Y751 | A750-Q754 PolarHBondContact O-N 3.25Å; Y751-Q754 PolarHBondContact O-N 3.12Å |
| 755 | S | 75.8 | Confident | 78.9 | Confident | 47 Ų | 47 | 38.1 Ų | 38.1 | 33% | 0.329 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -97.7 | -5.8 | 178.3 | 66.2 | 0 | 0 | 0 | 0 | 115.4 | Y751 K752 V753 M1671 | Y751-S755 PolarHBondContact O-N 3.21Å; Y751-S755 PolarHBondContact O-OG 3.08Å; K752-S755 PolarHBondContact O-N 3.24Å; V753-S755 VanDerWaalsContact C-N 3.31Å; V753-S755 PolarHBondContact O-N 3.26Å; S755-M1671 WeakPolarHBondContact O-CE 3.5Å |
| 756 | L | 76.1 | Confident | 78.2 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -120 | -7.4 | -179.4 | -62.5 | 178.9 | 0 | 0 | 0 | 114.7 | N708 A712 L715 K752 V753 M1671 | N708-L756 HydrophobicContact CB-CD2 3.6Å; A712-L756 HydrophobicContact CB-CB 4.29Å; L715-L756 HydrophobicContact CD1-CD1 4.29Å; K752-L756 HydrophobicContact CB-CD1 4.31Å; K752-L756 WeakPolarHBondContact O-CB 3.27Å; K752-L756 WeakPolarHBondContact O-CG 3.4Å; K752-L756 PolarHBondContact O-N 3.46Å; V753-L756 PolarHBondContact O-N 2.69Å; L756-M1671 VanDerWaalsContact O-SD 3.4Å |
| 757 | L | 76.9 | Confident | 77.5 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -134.1 | 142 | 177.7 | -67.5 | 165.3 | 0 | 0 | 0 | 110.5 | A712 V753 H761 A763 M1671 | A712-L757 HydrophobicContact CB-CD2 4.23Å; V753-L757 HydrophobicContact CG1-CD1 4.27Å; V753-L757 PolarHBondContact O-N 3.35Å; L757-H761 HydrophobicContact CB-CB 4.37Å; L757-A763 HydrophobicContact CD1-CB 4.24Å; L757-M1671 PolarHBondContact N-SD 3.21Å; L757-M1671 VanDerWaalsContact N-SD 3.43Å |
| 758 | P | 68.9 | Low | 76.6 | Confident | 35 Ų | 35 | 50 Ų | 50 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | trans | -66.6 | 149 | 179.5 | 27.8 | -33.3 | 0 | 0 | 0 | 111.1 | E760 H761 L1669 | P758-E760 PolarHBondContact O-N 2.85Å; P758-H761 HydrophobicContact CG-CB 4.23Å; P758-H761 WeakPolarHBondContact O-CB 3.35Å; P758-H761 PolarHBondContact O-N 3.49Å; P758-L1669 HydrophobicContact CB-CD2 4.12Å; P758-L1669 HydrophobicContact CG-CD2 4.19Å | ||
| 759 | Q | 68.1 | Low | 75.6 | Confident | 159 Ų | 159 | 56.7 Ų | 56.7 | 74% | 0.743 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.1 | -173.3 | -62.8 | -175.9 | 6 | 0 | 0 | 114.4 | H761 | Q759-H761 VanDerWaalsContact C-N 3.3Š|
| 760 | E | 66.8 | Low | 74.6 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 51% | 0.514 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -17.5 | 176.6 | -67.9 | 170.7 | -168.2 | 0 | 0 | 113.4 | P758 R765 | P758-E760 PolarHBondContact O-N 2.85Å; E760-R765 PolarHBondContact O-NE 3.28Å |
| 761 | H | 73.4 | Confident | 73.3 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -65.4 | 136.8 | -175.2 | -172.7 | -101 | 0 | 0 | 0 | 111.9 | L757 P758 Q759 A763 C764 R765 P1697 | L757-H761 HydrophobicContact CB-CB 4.37Å; P758-H761 HydrophobicContact CG-CB 4.23Å; P758-H761 WeakPolarHBondContact O-CB 3.35Å; P758-H761 PolarHBondContact O-N 3.49Å; Q759-H761 VanDerWaalsContact C-N 3.3Å; H761-A763 VanDerWaalsContact C-N 3.26Å; H761-A763 WeakPolarHBondContact ND1-CB 3.42Å; H761-A763 PolarHBondContact ND1-N 3.46Å; H761-A763 PolarHBondContact O-N 3.3Å; H761-A763 VanDerWaalsContact O-N 3.14Å; H761-C764 WeakPolarHBondContact O-CB 3.33Å; H761-C764 PolarHBondContact O-N 3.23Å; H761-R765 PolarHBondContact O-N 3.19Å; H761-P1697 WeakPolarHBondContact NE2-CD 3.37Å |
| 762 | P | 73.9 | Confident | 72 | Confident | 53 Ų | 53 | 59 Ų | 59 | 34% | 0.344 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.4 | -33.3 | -175.1 | 19.4 | -33.1 | 0 | 0 | 0 | 114 | C764 R765 R766 | P762-C764 VanDerWaalsContact C-N 3.3Å; P762-C764 PolarHBondContact O-N 2.74Å; P762-R765 PolarHBondContact O-N 2.88Å; P762-R766 WeakPolarHBondContact O-CB 3.46Å; P762-R766 PolarHBondContact O-N 3.3Å |
| 763 | A | 74.3 | Confident | 70.6 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 5% | 0.05 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.2 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | V719 L757 H761 R766 | V719-A763 HydrophobicContact CB-CB 4.2Å; V719-A763 HydrophobicContact CG1-CB 3.81Å; L757-A763 HydrophobicContact CD1-CB 4.24Å; H761-A763 VanDerWaalsContact C-N 3.26Å; H761-A763 WeakPolarHBondContact ND1-CB 3.42Å; H761-A763 PolarHBondContact ND1-N 3.46Å; H761-A763 PolarHBondContact O-N 3.3Å; H761-A763 VanDerWaalsContact O-N 3.14Å; A763-R766 PolarHBondContact O-N 2.93Å |
| 764 | C | 72.9 | Confident | 69.3 | Low | 22 Ų | 22 | 70.2 Ų | 70.2 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.7 | -43 | 177.4 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | V753 H761 P762 R766 L767 | V753-C764 VanDerWaalsContact CG1-SG 3.6Å; H761-C764 WeakPolarHBondContact O-CB 3.33Å; H761-C764 PolarHBondContact O-N 3.23Å; P762-C764 VanDerWaalsContact C-N 3.3Å; P762-C764 PolarHBondContact O-N 2.74Å; C764-R766 VanDerWaalsContact C-N 3.31Å; C764-R766 PolarHBondContact O-N 3.35Å; C764-L767 PolarHBondContact O-N 3.39Å |
| 765 | R | 74.6 | Confident | 68.2 | Low | 135 Ų | 135 | 69.1 Ų | 69.1 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 174.9 | -62.4 | -177.1 | -178.4 | 172.4 | 2.5 | 112.2 | E760 H761 P762 L767 H768 H769 | E760-R765 PolarHBondContact O-NE 3.28Å; H761-R765 PolarHBondContact O-N 3.19Å; P762-R765 PolarHBondContact O-N 2.88Å; R765-L767 PolarHBondContact O-N 2.75Å; R765-H768 WeakPolarHBondContact O-CB 3.34Å; R765-H768 PolarHBondContact O-N 2.95Å; R765-H769 PolarHBondContact O-CD2 2.93Å; R765-H769 PolarHBondContact O-N 3.25Å |
| 766 | R | 74.8 | Confident | 67.3 | Low | 79 Ų | 79 | 75.1 Ų | 75.1 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.6 | -28.3 | -178.2 | -166.1 | 161.2 | 175.7 | 171.6 | -15.5 | 113.3 | V719 E720 E725 P762 A763 C764 H768 H769 A770 | V719-R766 HydrophobicContact CG1-CB 4.24Å; V719-R766 HydrophobicContact CG1-CG 4.41Å; V719-R766 VanDerWaalsContact O-CZ 3.3Å; V719-R766 PolarHBondContact O-NE 2.99Å; V719-R766 PolarHBondContact O-NH2 3.35Å; E720-R766 PolarHBondContact O-NH1 3.03Å; E720-R766 VanDerWaalsContact O-NH1 3.08Å; E720-R766 PolarHBondContact O-NH2 2.81Å; E725-R766 IonicContact OE1-CZ 3.79Å; E725-R766 IonicContact OE1-NE 3.34Å; E725-R766 PolarHBondContact OE1-NE 3.27Å; E725-R766 IonicContact OE1-NH2 3.46Å; E725-R766 PolarHBondContact OE1-NH2 3.16Å; P762-R766 WeakPolarHBondContact O-CB 3.46Å; P762-R766 PolarHBondContact O-N 3.3Å; A763-R766 PolarHBondContact O-N 2.93Å; C764-R766 VanDerWaalsContact C-N 3.31Å; C764-R766 PolarHBondContact O-N 3.35Å; R766-H768 VanDerWaalsContact C-N 3.34Å; R766-H768 PolarHBondContact O-N 3.46Å; R766-H769 CarbonylContact O-C 3.59Å; R766-H769 PolarHBondContact O-N 3.23Å; R766-A770 WeakPolarHBondContact O-CB 3.47Å; R766-A770 PolarHBondContact O-N 2.88Å |
| 767 | L | 74.1 | Confident | 66.8 | Low | 34 Ų | 34 | 78 Ų | 78 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 170.6 | -168.7 | 96.9 | 0 | 0 | 0 | 111.8 | Y724 A750 C764 R765 H769 A770 L772 | Y724-L767 HydrophobicContact CD1-CD1 3.78Å; Y724-L767 HydrophobicContact CD2-CB 4.23Å; Y724-L767 HydrophobicContact CD2-CD1 3.96Å; Y724-L767 HydrophobicContact CE1-CD1 3.64Å; Y724-L767 HydrophobicContact CE2-CB 3.94Å; Y724-L767 HydrophobicContact CE2-CD1 3.8Å; Y724-L767 HydrophobicContact CG-CD1 3.94Å; A750-L767 HydrophobicContact CB-CD1 4.04Å; C764-L767 PolarHBondContact O-N 3.39Å; R765-L767 PolarHBondContact O-N 2.75Å; L767-H769 VanDerWaalsContact C-N 3.3Å; L767-H769 PolarHBondContact O-N 3.17Å; L767-A770 PolarHBondContact O-N 2.96Å; L767-L772 HydrophobicContact CG-CD1 4.13Å |
| 768 | H | 68.2 | Low | 66.3 | Low | 140 Ų | 140 | 82.1 Ų | 82.1 | 65% | 0.648 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.3 | -29.5 | 177.1 | -66.9 | -86.7 | 0 | 0 | 0 | 112.7 | R765 R766 | R765-H768 WeakPolarHBondContact O-CB 3.34Å; R765-H768 PolarHBondContact O-N 2.95Å; R766-H768 VanDerWaalsContact C-N 3.34Å; R766-H768 PolarHBondContact O-N 3.46Å |
| 769 | H | 66.4 | Low | 66.5 | Low | 152 Ų | 152 | 80.6 Ų | 80.6 | 70% | 0.704 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -84.9 | -12.5 | 176.7 | -61.8 | -63.2 | 0 | 0 | 0 | 114 | R765 R766 L767 G771 | R765-H769 PolarHBondContact O-CD2 2.93Å; R765-H769 PolarHBondContact O-N 3.25Å; R766-H769 CarbonylContact O-C 3.59Å; R766-H769 PolarHBondContact O-N 3.23Å; L767-H769 VanDerWaalsContact C-N 3.3Å; L767-H769 PolarHBondContact O-N 3.17Å; H769-G771 PolarHBondContact O-N 3.27Å |
| 770 | A | 65.2 | Low | 66.8 | Low | 15 Ų | 15 | 73.3 Ų | 73.3 | 12% | 0.124 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -75.1 | 30.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E725 I728 R766 L767 L772 | E725-A770 HydrophobicContact CG-CB 4.28Å; I728-A770 HydrophobicContact CD1-CB 4.21Å; R766-A770 WeakPolarHBondContact O-CB 3.47Å; R766-A770 PolarHBondContact O-N 2.88Å; L767-A770 PolarHBondContact O-N 2.96Å; A770-L772 PolarHBondContact O-N 3.28Å |
| 771 | G | 58.2 | Low | 67.5 | Low | 37 Ų | 37 | 73.5 Ų | 73.5 | 38% | 0.381 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 72.5 | 3.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | H769 L773 H774 | H769-G771 PolarHBondContact O-N 3.27Å; G771-L773 PolarHBondContact O-N 3.18Å; G771-H774 PolarHBondContact O-N 3Å; G771-H774 VanDerWaalsContact O-N 3.07Å |
| 772 | L | 58.1 | Low | 68 | Low | 25 Ų | 25 | 76.7 Ų | 76.7 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -18.5 | 179.2 | -77.7 | 169.2 | 0 | 0 | 0 | 114.4 | I728 L767 A770 A783 V784 L787 | I728-L772 HydrophobicContact CD1-CD1 4.36Å; I728-L772 HydrophobicContact CD1-CD2 3.73Å; I728-L772 HydrophobicContact CD1-CG 3.77Å; I728-L772 HydrophobicContact CG1-CD2 4.15Å; L767-L772 HydrophobicContact CG-CD1 4.13Å; A770-L772 PolarHBondContact O-N 3.28Å; L772-A783 HydrophobicContact CD2-CB 3.94Å; L772-V784 HydrophobicContact CD2-CG2 4.08Å; L772-L787 HydrophobicContact CD1-CD1 3.88Å; L772-L787 HydrophobicContact CD2-CD1 4.33Å |
| 773 | L | 51.5 | Low | 68.5 | Low | 151 Ų | 151 | 74.2 Ų | 74.2 | 79% | 0.791 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 1.8 | -179.7 | -66.5 | 174.1 | 0 | 0 | 0 | 114.6 | G771 P775 | G771-L773 PolarHBondContact O-N 3.18Å; L773-P775 WeakPolarHBondContact O-CD 3.49Å |
| 774 | H | 57.4 | Low | 69.1 | Low | 129 Ų | 129 | 77.1 Ų | 77.1 | 60% | 0.597 | 40% | 0.4 | S | S | * | . | trans | -83.4 | 113.2 | 164.9 | -78.1 | -82.7 | 0 | 0 | 0 | 109.6 | G771 E776 S780 | G771-H774 PolarHBondContact O-N 3Å; G771-H774 VanDerWaalsContact O-N 3.07Å; H774-E776 VanDerWaalsContact C-N 3.33Å; H774-E776 PolarHBondContact O-N 2.85Å; H774-S780 PolarHBondContact O-OG 3.46Å | ||
| 775 | P | 56.1 | Low | 69.7 | Low | 85 Ų | 85 | 79.6 Ų | 79.6 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13.3 | -171.5 | 33.1 | -36.6 | 0 | 0 | 0 | 113.7 | L773 T777 Q781 | L773-P775 WeakPolarHBondContact O-CD 3.49Å; P775-T777 PolarHBondContact O-N 3.2Å; P775-Q781 PolarHBondContact O-NE2 2.83Å |
| 776 | E | 56.6 | Low | 70.3 | Confident | 173 Ų | 173 | 73.4 Ų | 73.4 | 81% | 0.808 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -23.9 | -166.9 | -60.4 | -179.1 | 171.4 | 0 | 0 | 113.9 | H774 | H774-E776 VanDerWaalsContact C-N 3.33Å; H774-E776 PolarHBondContact O-N 2.85Å |
| 777 | T | 66 | Low | 70.9 | Confident | 80 Ų | 80 | 71 Ų | 71 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -92.2 | 123.6 | 178.9 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | P775 G779 S780 | P775-T777 PolarHBondContact O-N 3.2Å; T777-G779 PolarHBondContact O-N 3.37Å; T777-S780 PolarHBondContact O-N 3.01Å; T777-S780 VanDerWaalsContact O-N 3.11Å; T777-S780 PolarHBondContact O-OG 3.24Å; T777-S780 PolarHBondContact OG1-OG 2.71Å |
| 778 | P | 67.8 | Low | 71.5 | Confident | 97 Ų | 97 | 73 Ų | 73 | 63% | 0.63 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.8 | -23 | -178.5 | 23.6 | -33.5 | 0 | 0 | 0 | 113.7 | L782 | P778-L782 PolarHBondContact O-N 3.02Å; P778-L782 VanDerWaalsContact O-N 3.14Å |
| 779 | G | 72.5 | Confident | 72.3 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64 | -38.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T777 A783 | T777-G779 PolarHBondContact O-N 3.37Å; G779-A783 WeakPolarHBondContact O-CB 3.41Å; G779-A783 PolarHBondContact O-N 2.97Å |
| 780 | S | 74.9 | Confident | 73.2 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 4% | 0.035 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.1 | -41 | 178.6 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | H774 T777 A783 V784 | H774-S780 PolarHBondContact O-OG 3.46Å; T777-S780 PolarHBondContact O-N 3.01Å; T777-S780 VanDerWaalsContact O-N 3.11Å; T777-S780 PolarHBondContact O-OG 3.24Å; T777-S780 PolarHBondContact OG1-OG 2.71Å; S780-A783 PolarHBondContact O-N 3.29Å; S780-V784 WeakPolarHBondContact O-CG2 3.4Å; S780-V784 PolarHBondContact O-N 3Å |
| 781 | Q | 81.5 | Confident | 74.1 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 174.7 | -57.8 | -173.2 | 12.7 | 0 | 0 | 112 | P775 A783 V784 L785 | P775-Q781 PolarHBondContact O-NE2 2.83Å; Q781-A783 PolarHBondContact O-N 2.94Å; Q781-V784 PolarHBondContact O-N 3.14Å; Q781-L785 PolarHBondContact O-N 3.48Å; Q781-L785 VanDerWaalsContact O-N 3.1Å |
| 782 | L | 82.9 | Confident | 75.1 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 174.6 | -82.2 | 166.2 | 0 | 0 | 0 | 112.3 | V731 P778 L785 W786 | V731-L782 HydrophobicContact CG1-CB 3.68Å; P778-L782 PolarHBondContact O-N 3.02Å; P778-L782 VanDerWaalsContact O-N 3.14Å; L782-L785 PolarHBondContact O-N 3Å; L782-W786 VanDerWaalsContact O-CD1 3.24Å; L782-W786 PolarHBondContact O-N 3.34Å |
| 783 | A | 85.2 | Confident | 76 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I728 V731 L746 L772 G779 S780 Q781 W786 L787 | I728-A783 HydrophobicContact CG1-CB 4.19Å; I728-A783 HydrophobicContact CG2-CB 4.31Å; V731-A783 HydrophobicContact CG1-CB 4.48Å; L746-A783 HydrophobicContact CD2-CB 3.86Å; L772-A783 HydrophobicContact CD2-CB 3.94Å; G779-A783 WeakPolarHBondContact O-CB 3.41Å; G779-A783 PolarHBondContact O-N 2.97Å; S780-A783 PolarHBondContact O-N 3.29Å; Q781-A783 PolarHBondContact O-N 2.94Å; A783-W786 PolarHBondContact O-N 3.09Å; A783-L787 WeakPolarHBondContact O-CB 3.46Å; A783-L787 WeakPolarHBondContact O-CD1 3.4Å; A783-L787 WeakPolarHBondContact O-CG 3.46Å; A783-L787 PolarHBondContact O-N 3.21Å |
| 784 | V | 85.9 | Confident | 77.2 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 174 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | L772 S780 Q781 W786 L787 E788 | L772-V784 HydrophobicContact CD2-CG2 4.08Å; S780-V784 WeakPolarHBondContact O-CG2 3.4Å; S780-V784 PolarHBondContact O-N 3Å; Q781-V784 PolarHBondContact O-N 3.14Å; V784-W786 PolarHBondContact O-N 2.96Å; V784-L787 PolarHBondContact O-N 3.4Å; V784-E788 WeakPolarHBondContact O-CB 3.46Å; V784-E788 PolarHBondContact O-N 3.35Å |
| 785 | L | 85.5 | Confident | 78 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 39% | 0.387 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 177 | -72 | 167.9 | 0 | 0 | 0 | 112.6 | Q781 L782 R789 | Q781-L785 PolarHBondContact O-N 3.48Å; Q781-L785 VanDerWaalsContact O-N 3.1Å; L782-L785 PolarHBondContact O-N 3Å; L785-R789 WeakPolarHBondContact O-CB 3.2Å; L785-R789 WeakPolarHBondContact O-CG 3.21Å; L785-R789 PolarHBondContact O-N 3.36Å; L785-R789 VanDerWaalsContact O-N 3.08Å |
| 786 | W | 87.5 | Confident | 78.5 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 2% | 0.023 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 173.2 | -84.9 | 109.2 | 0 | 0 | 0 | 112.3 | L610 T613 T740 Y744 L782 A783 V784 I790 | L610-W786 HydrophobicContact CB-CZ2 4.49Å; L610-W786 HydrophobicContact CD1-CD2 3.46Å; L610-W786 VanDerWaalsContact CD1-CD2 3.46Å; L610-W786 VanDerWaalsContact CD1-CE2 3.48Å; L610-W786 HydrophobicContact CD1-CE3 3.61Å; L610-W786 HydrophobicContact CD1-CG 4.06Å; L610-W786 HydrophobicContact CD1-CH2 3.84Å; L610-W786 HydrophobicContact CD1-CZ2 3.67Å; L610-W786 HydrophobicContact CD1-CZ3 3.81Å; T613-W786 HydrophobicContact CG2-CH2 3.98Å; T613-W786 HydrophobicContact CG2-CZ3 4.28Å; T740-W786 HydrophobicContact CG2-CH2 4.5Å; T740-W786 HydrophobicContact CG2-CZ2 4.03Å; Y744-W786 HydrophobicContact CD2-CZ3 4.13Å; L782-W786 VanDerWaalsContact O-CD1 3.24Å; L782-W786 PolarHBondContact O-N 3.34Å; A783-W786 PolarHBondContact O-N 3.09Å; V784-W786 PolarHBondContact O-N 2.96Å; W786-I790 HydrophobicContact CE3-CD1 3.71Å; W786-I790 HydrophobicContact CE3-CG1 4.36Å; W786-I790 HydrophobicContact CZ3-CD1 4.15Å; W786-I790 WeakPolarHBondContact O-CB 3.33Å; W786-I790 WeakPolarHBondContact O-CG1 3.43Å; W786-I790 PolarHBondContact O-N 2.99Å |
| 787 | L | 86.8 | Confident | 79 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.3 | -50.4 | 177.9 | -77 | 162.1 | 0 | 0 | 0 | 111.5 | L746 A750 L772 A783 V784 H791 | L746-L787 HydrophobicContact CG-CD2 4.3Å; L746-L787 HydrophobicContact CG-CG 4.41Å; A750-L787 HydrophobicContact CB-CD2 3.44Å; A750-L787 VanDerWaalsContact CB-CD2 3.44Å; L772-L787 HydrophobicContact CD1-CD1 3.88Å; L772-L787 HydrophobicContact CD2-CD1 4.33Å; A783-L787 WeakPolarHBondContact O-CB 3.46Å; A783-L787 WeakPolarHBondContact O-CD1 3.4Å; A783-L787 WeakPolarHBondContact O-CG 3.46Å; A783-L787 PolarHBondContact O-N 3.21Å; V784-L787 PolarHBondContact O-N 3.4Å; L787-H791 VanDerWaalsContact O-CB 3.27Å; L787-H791 WeakPolarHBondContact O-CB 3.33Å; L787-H791 PolarHBondContact O-N 3.27Å |
| 788 | E | 86.4 | Confident | 78.9 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.2 | -49.1 | -178.2 | -166.3 | -148.2 | -174.1 | 0 | 0 | 111.7 | V784 H791 R792 | V784-E788 WeakPolarHBondContact O-CB 3.46Å; V784-E788 PolarHBondContact O-N 3.35Å; E788-H791 PolarHBondContact O-N 2.84Å; E788-R792 WeakPolarHBondContact O-CB 3.2Å; E788-R792 WeakPolarHBondContact O-CG 3.49Å; E788-R792 PolarHBondContact O-N 3.3Å; E788-R792 IonicContact OE1-CZ 2.64Å; E788-R792 IonicContact OE1-NE 3.74Å; E788-R792 PolarHBondContact OE1-NE 3.42Å; E788-R792 IonicContact OE1-NH2 3.2Å; E788-R792 PolarHBondContact OE1-NH2 3.19Å |
| 789 | R | 85.1 | Confident | 78.5 | Confident | 101 Ų | 101 | 57.3 Ų | 57.3 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.2 | -38.8 | -175.3 | -68.1 | -70.2 | 175.6 | 126 | 0.8 | 112.5 | I614 L785 A793 | I614-R789 HydrophobicContact CD1-CB 3.56Å; I614-R789 HydrophobicContact CD1-CG 4.01Å; I614-R789 HydrophobicContact CG1-CB 4.34Å; L785-R789 WeakPolarHBondContact O-CB 3.2Å; L785-R789 WeakPolarHBondContact O-CG 3.21Å; L785-R789 PolarHBondContact O-N 3.36Å; L785-R789 VanDerWaalsContact O-N 3.08Å; R789-A793 WeakPolarHBondContact O-CB 3.47Å; R789-A793 PolarHBondContact O-N 3.46Å |
| 790 | I | 85.4 | Confident | 77.7 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.8 | -41 | 175.6 | -70.2 | 177.4 | 0 | 0 | 0 | 111 | L617 Y744 L748 W786 R792 A793 M794 | L617-I790 HydrophobicContact CD2-CG1 4.18Å; L617-I790 HydrophobicContact CD2-CG2 4.34Å; Y744-I790 HydrophobicContact CD2-CD1 4.2Å; Y744-I790 HydrophobicContact CG-CD1 4.48Å; L748-I790 HydrophobicContact CD2-CG2 3.62Å; L748-I790 HydrophobicContact CG-CG2 3.96Å; W786-I790 HydrophobicContact CE3-CD1 3.71Å; W786-I790 HydrophobicContact CE3-CG1 4.36Å; W786-I790 HydrophobicContact CZ3-CD1 4.15Å; W786-I790 WeakPolarHBondContact O-CB 3.33Å; W786-I790 WeakPolarHBondContact O-CG1 3.43Å; W786-I790 PolarHBondContact O-N 2.99Å; I790-R792 VanDerWaalsContact C-N 3.34Å; I790-R792 PolarHBondContact O-N 3.45Å; I790-A793 PolarHBondContact O-N 2.98Å; I790-M794 HydrophobicContact CG2-CG 4.03Å; I790-M794 WeakPolarHBondContact O-CB 3.26Å; I790-M794 WeakPolarHBondContact O-CG 3.24Å; I790-M794 PolarHBondContact O-N 2.97Å |
| 791 | H | 85.3 | Confident | 76.6 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 174.3 | -178.3 | 98.8 | 0 | 0 | 0 | 111.6 | Y751 L787 E788 A793 R795 | Y751-H791 HydrophobicContact CD2-CB 4.27Å; Y751-H791 AromaticContact CD2-ND1 3.62Å; Y751-H791 AromaticContact CE2-ND1 3.63Å; L787-H791 VanDerWaalsContact O-CB 3.27Å; L787-H791 WeakPolarHBondContact O-CB 3.33Å; L787-H791 PolarHBondContact O-N 3.27Å; E788-H791 PolarHBondContact O-N 2.84Å; H791-A793 PolarHBondContact O-N 3.2Å; H791-R795 PolarHBondContact NE2-NH1 3.3Å; H791-R795 WeakPolarHBondContact O-CB 3.35Å; H791-R795 PolarHBondContact O-N 3.48Å |
| 792 | R | 78.2 | Confident | 75.2 | Confident | 146 Ų | 146 | 60.5 Ų | 60.5 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.5 | -46.1 | 173.9 | -73.8 | 174.7 | -179.2 | -121.5 | 9.8 | 111.8 | E788 I790 L796 | E788-R792 WeakPolarHBondContact O-CB 3.2Å; E788-R792 WeakPolarHBondContact O-CG 3.49Å; E788-R792 PolarHBondContact O-N 3.3Å; E788-R792 IonicContact OE1-CZ 2.64Å; E788-R792 IonicContact OE1-NE 3.74Å; E788-R792 PolarHBondContact OE1-NE 3.42Å; E788-R792 IonicContact OE1-NH2 3.2Å; E788-R792 PolarHBondContact OE1-NH2 3.19Å; I790-R792 VanDerWaalsContact C-N 3.34Å; I790-R792 PolarHBondContact O-N 3.45Å; R792-L796 VanDerWaalsContact O-CG 3.31Å; R792-L796 WeakPolarHBondContact O-CG 3.49Å; R792-L796 PolarHBondContact O-N 3.44Å; R792-L796 VanDerWaalsContact O-N 3.1Å |
| 793 | A | 77.2 | Confident | 73.6 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L617 I618 R789 I790 H791 L796 H797 | L617-A793 HydrophobicContact CD2-CB 4.4Å; I618-A793 HydrophobicContact CD1-CB 4.3Å; I618-A793 HydrophobicContact CG1-CB 4.01Å; R789-A793 WeakPolarHBondContact O-CB 3.47Å; R789-A793 PolarHBondContact O-N 3.46Å; I790-A793 PolarHBondContact O-N 2.98Å; H791-A793 PolarHBondContact O-N 3.2Å; A793-L796 PolarHBondContact O-N 3.35Å; A793-H797 PolarHBondContact O-N 2.87Å |
| 794 | M | 77.2 | Confident | 71.9 | Confident | 32 Ų | 32 | 62 Ų | 62 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 178.1 | -70.1 | -61.5 | -60.5 | 0 | 0 | 111.9 | L621 L748 Y751 I790 L796 H797 E798 | L621-M794 HydrophobicContact CD1-SD 3.99Å; L621-M794 HydrophobicContact CD2-SD 4.3Å; L748-M794 HydrophobicContact CD2-CE 4.49Å; L748-M794 HydrophobicContact CD2-CG 3.91Å; L748-M794 HydrophobicContact CD2-SD 3.62Å; Y751-M794 HydrophobicContact CD1-CB 4.09Å; Y751-M794 HydrophobicContact CD1-CE 4.19Å; Y751-M794 HydrophobicContact CD1-CG 4.27Å; Y751-M794 HydrophobicContact CD2-CB 3.83Å; Y751-M794 HydrophobicContact CD2-CG 4.3Å; Y751-M794 HydrophobicContact CE1-CB 3.83Å; Y751-M794 HydrophobicContact CE1-CE 4.16Å; Y751-M794 HydrophobicContact CE1-CG 4.45Å; Y751-M794 HydrophobicContact CE2-CB 3.54Å; Y751-M794 HydrophobicContact CE2-CG 4.47Å; Y751-M794 HydrophobicContact CG-CB 4.11Å; Y751-M794 HydrophobicContact CG-CG 4.2Å; I790-M794 HydrophobicContact CG2-CG 4.03Å; I790-M794 WeakPolarHBondContact O-CB 3.26Å; I790-M794 WeakPolarHBondContact O-CG 3.24Å; I790-M794 PolarHBondContact O-N 2.97Å; M794-L796 PolarHBondContact O-N 2.91Å; M794-H797 WeakPolarHBondContact O-CB 3.48Å; M794-H797 PolarHBondContact O-N 3.44Å; M794-E798 PolarHBondContact O-N 3.31Å |
| 795 | R | 73 | Confident | 70 | Confident | 151 Ų | 151 | 59.9 Ų | 59.9 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.8 | -34.7 | 179.2 | -172.4 | 170.2 | 179.5 | 166.2 | -0.8 | 112.8 | H791 T799 | H791-R795 PolarHBondContact NE2-NH1 3.3Å; H791-R795 WeakPolarHBondContact O-CB 3.35Å; H791-R795 PolarHBondContact O-N 3.48Å; R795-T799 WeakPolarHBondContact O-CG2 3.41Å; R795-T799 PolarHBondContact O-N 3.23Å; R795-T799 PolarHBondContact O-OG1 3.34Å |
| 796 | L | 68.4 | Low | 68.1 | Low | 103 Ų | 103 | 59.8 Ų | 59.8 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 171.2 | -78.2 | 167.6 | 0 | 0 | 0 | 111.2 | R792 A793 M794 E798 T799 Q800 | R792-L796 VanDerWaalsContact O-CG 3.31Å; R792-L796 WeakPolarHBondContact O-CG 3.49Å; R792-L796 PolarHBondContact O-N 3.44Å; R792-L796 VanDerWaalsContact O-N 3.1Å; A793-L796 PolarHBondContact O-N 3.35Å; M794-L796 PolarHBondContact O-N 2.91Å; L796-E798 PolarHBondContact O-N 2.89Å; L796-T799 WeakPolarHBondContact CA-OG1 3.02Å; L796-T799 PolarHBondContact O-N 3.26Å; L796-T799 PolarHBondContact O-OG1 3.4Å; L796-Q800 WeakPolarHBondContact O-CG 3.34Å; L796-Q800 PolarHBondContact O-N 3.05Å |
| 797 | H | 66.4 | Low | 66.1 | Low | 27 Ų | 27 | 60.2 Ų | 60.2 | 13% | 0.125 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 177.1 | 178.5 | -106.3 | 0 | 0 | 0 | 112.5 | L621 A793 M794 T799 Q800 L801 | L621-H797 HydrophobicContact CD1-CB 4.09Å; A793-H797 PolarHBondContact O-N 2.87Å; M794-H797 WeakPolarHBondContact O-CB 3.48Å; M794-H797 PolarHBondContact O-N 3.44Å; H797-T799 PolarHBondContact O-N 2.91Å; H797-Q800 PolarHBondContact O-N 3.47Å; H797-Q800 VanDerWaalsContact O-N 3.12Å; H797-L801 VanDerWaalsContact CE1-CD1 3.48Å; H797-L801 WeakPolarHBondContact CE1-CD1 3.46Å; H797-L801 PolarHBondContact O-N 3.46Å |
| 798 | E | 63.5 | Low | 64.4 | Low | 78 Ų | 78 | 59.6 Ų | 59.6 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 172.5 | -81.7 | 176.9 | -152.3 | 0 | 0 | 113.1 | Y751 M794 L796 Q800 L801 I802 | Y751-E798 WeakPolarHBondContact CE1-OE1 3.47Å; Y751-E798 PolarHBondContact OH-OE1 3.02Å; Y751-E798 PolarHBondContact OH-OE2 3.09Å; Y751-E798 VanDerWaalsContact OH-OE2 3.1Å; M794-E798 PolarHBondContact O-N 3.31Å; L796-E798 PolarHBondContact O-N 2.89Å; E798-Q800 VanDerWaalsContact C-N 3.26Å; E798-Q800 PolarHBondContact O-N 3.16Å; E798-L801 PolarHBondContact O-N 2.89Å; E798-I802 WeakPolarHBondContact O-CG1 3.47Å; E798-I802 PolarHBondContact O-N 3.03Å |
| 799 | T | 60.4 | Low | 62.2 | Low | 56 Ų | 56 | 63.6 Ų | 63.6 | 34% | 0.344 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.3 | -27.7 | 173.7 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | R795 L796 H797 | R795-T799 WeakPolarHBondContact O-CG2 3.41Å; R795-T799 PolarHBondContact O-N 3.23Å; R795-T799 PolarHBondContact O-OG1 3.34Å; L796-T799 WeakPolarHBondContact CA-OG1 3.02Å; L796-T799 PolarHBondContact O-N 3.26Å; L796-T799 PolarHBondContact O-OG1 3.4Å; H797-T799 PolarHBondContact O-N 2.91Å |
| 800 | Q | 54.3 | Low | 59.9 | Low | 62 Ų | 62 | 60.8 Ų | 60.8 | 29% | 0.29 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -81.4 | -24.1 | 175.7 | -69.9 | 168.8 | -12.1 | 0 | 0 | 113.3 | L796 H797 E798 D803 L807 | L796-Q800 WeakPolarHBondContact O-CG 3.34Å; L796-Q800 PolarHBondContact O-N 3.05Å; H797-Q800 PolarHBondContact O-N 3.47Å; H797-Q800 VanDerWaalsContact O-N 3.12Å; E798-Q800 VanDerWaalsContact C-N 3.26Å; E798-Q800 PolarHBondContact O-N 3.16Å; Q800-D803 VanDerWaalsContact O-O 3.07Å; Q800-L807 HydrophobicContact CB-CG 4.35Å |
| 801 | L | 53.2 | Low | 57.7 | Low | 40 Ų | 40 | 65.1 Ų | 65.1 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.5 | -34.5 | 174.9 | -86.4 | 162.2 | 0 | 0 | 0 | 113.3 | I697 H797 E798 L807 | I697-L801 HydrophobicContact CB-CD2 4.34Å; I697-L801 HydrophobicContact CD1-CD1 3.78Å; I697-L801 HydrophobicContact CD1-CD2 3.79Å; I697-L801 HydrophobicContact CD1-CG 4.48Å; I697-L801 HydrophobicContact CG1-CD2 3.97Å; H797-L801 VanDerWaalsContact CE1-CD1 3.48Å; H797-L801 WeakPolarHBondContact CE1-CD1 3.46Å; H797-L801 PolarHBondContact O-N 3.46Å; E798-L801 PolarHBondContact O-N 2.89Å; L801-L807 HydrophobicContact CD2-CD1 3.83Å; L801-L807 HydrophobicContact CG-CD1 4.25Å |
| 802 | I | 50.4 | Low | 56 | Low | 89 Ų | 89 | 63.8 Ų | 63.8 | 46% | 0.456 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | -177.5 | -68.6 | 164.1 | 0 | 0 | 0 | 111 | E798 K1679 | E798-I802 WeakPolarHBondContact O-CG1 3.47Å; E798-I802 PolarHBondContact O-N 3.03Å; I802-K1679 VanDerWaalsContact CD1-NZ 3.28Å |
| 803 | D | 50.2 | Low | 54.8 | Low | 77 Ų | 77 | 60.8 Ų | 60.8 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -101.8 | 93.6 | 175.8 | -65.5 | -32.5 | 0 | 0 | 0 | 109.8 | Q800 S805 N806 | Q800-D803 VanDerWaalsContact O-O 3.07Å; D803-S805 PolarHBondContact O-N 2.95Å; D803-N806 HydrophobicContact CB-CB 4.21Å; D803-N806 WeakPolarHBondContact CB-ND2 3.38Å; D803-N806 WeakPolarHBondContact O-CB 3.49Å; D803-N806 PolarHBondContact O-N 2.95Å; D803-N806 PolarHBondContact OD2-ND2 3.43Å |
| 804 | T | 48.6 | Very low | 54.3 | Low | 28 Ų | 28 | 60.9 Ų | 60.9 | 17% | 0.172 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.9 | -175.4 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | N806 I808 | T804-N806 VanDerWaalsContact C-N 3.33Å; T804-I808 VanDerWaalsContact O-CD1 3.27Å; T804-I808 WeakPolarHBondContact O-CD1 3.41Å |
| 805 | S | 47 | Very low | 53.9 | Low | 24 Ų | 24 | 59.4 Ų | 59.4 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31.3 | 170.6 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | D803 | D803-S805 PolarHBondContact O-N 2.95Š|
| 806 | N | 45.4 | Very low | 54.1 | Low | 71 Ų | 71 | 52.4 Ų | 52.4 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -28.2 | -167.1 | -62.4 | -10.2 | 0 | 0 | 0 | 112 | D803 T804 I808 H809 | D803-N806 HydrophobicContact CB-CB 4.21Å; D803-N806 WeakPolarHBondContact CB-ND2 3.38Å; D803-N806 WeakPolarHBondContact O-CB 3.49Å; D803-N806 PolarHBondContact O-N 2.95Å; D803-N806 PolarHBondContact OD2-ND2 3.43Å; T804-N806 VanDerWaalsContact C-N 3.33Å; N806-I808 PolarHBondContact O-N 3.08Å; N806-I808 VanDerWaalsContact O-N 3.1Å; N806-H809 PolarHBondContact O-N 2.85Å |
| 807 | L | 46.4 | Very low | 54.5 | Low | 16 Ų | 16 | 47.7 Ų | 47.7 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -55 | -24.2 | 173 | -118.3 | 166.8 | 0 | 0 | 0 | 113.7 | Q800 L801 | Q800-L807 HydrophobicContact CB-CG 4.35Å; L801-L807 HydrophobicContact CD2-CD1 3.83Å; L801-L807 HydrophobicContact CG-CD1 4.25Å |
| 808 | I | 50.2 | Low | 54.7 | Low | 15 Ų | 15 | 46.7 Ų | 46.7 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -88.2 | -9.3 | -171.6 | -48.2 | 154.1 | 0 | 0 | 0 | 111.9 | T804 N806 L812 E818 A821 | T804-I808 VanDerWaalsContact O-CD1 3.27Å; T804-I808 WeakPolarHBondContact O-CD1 3.41Å; N806-I808 PolarHBondContact O-N 3.08Å; N806-I808 VanDerWaalsContact O-N 3.1Å; I808-L812 HydrophobicContact CG2-CD1 4.23Å; I808-E818 HydrophobicContact CG2-CG 4.09Å; I808-A821 VanDerWaalsContact CD1-C 3.49Å; I808-A821 HydrophobicContact CD1-CB 3.3Å; I808-A821 WeakPolarHBondContact CD1-O 3.08Å; I808-A821 HydrophobicContact CG1-CB 3.54Å; I808-A821 HydrophobicContact CG2-CB 4.11Å |
| 809 | H | 40.1 | Very low | 55.2 | Low | 159 Ų | 159 | 43.8 Ų | 43.8 | 74% | 0.736 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -83.8 | -9.9 | -177.1 | -93.9 | -86.6 | 0 | 0 | 0 | 114.7 | N806 | N806-H809 PolarHBondContact O-N 2.85Š|
| 810 | V | 37.4 | Very low | 56 | Low | 42 Ų | 42 | 41.2 Ų | 41.2 | 26% | 0.255 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -72.1 | 141.7 | 161.5 | -165.9 | 0 | 0 | 0 | 0 | 107.7 | L812 | V810-L812 VanDerWaalsContact C-N 3.28Å; V810-L812 PolarHBondContact O-N 3.39Å |
| 811 | P | 39.7 | Very low | 56.8 | Low | 92 Ų | 92 | 38.4 Ų | 38.4 | 60% | 0.597 | 21% | 0.207 | S | C | * | . | trans | -69.7 | 80.4 | -176.2 | 28.1 | -37.1 | 0 | 0 | 0 | 112.8 | H813 | P811-H813 PolarHBondContact O-N 3.08Š| ||
| 812 | L | 48.6 | Very low | 57.6 | Low | 24 Ų | 24 | 39.5 Ų | 39.5 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | trans | -55.5 | 127.3 | 173 | -66.5 | 173.7 | 0 | 0 | 0 | 109.8 | L695 I808 V810 S814 L817 | L695-L812 HydrophobicContact CD1-CD2 3.78Å; I808-L812 HydrophobicContact CG2-CD1 4.23Å; V810-L812 VanDerWaalsContact C-N 3.28Å; V810-L812 PolarHBondContact O-N 3.39Å; L812-S814 PolarHBondContact O-N 3.45Å; L812-S814 VanDerWaalsContact O-N 3.14Å; L812-L817 HydrophobicContact CD1-CD2 4.25Å; L812-L817 HydrophobicContact CD1-CG 4.32Å | ||
| 813 | H | 52.3 | Low | 58.8 | Low | 83 Ų | 83 | 35.4 Ų | 35.4 | 38% | 0.384 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -64.9 | -21.2 | -172.6 | -67.1 | -77.7 | 0 | 0 | 0 | 113.5 | V667 P811 P815 | V667-H813 PolarHBondContact O-CE1 3.16Å; V667-H813 VanDerWaalsContact O-CE1 3.28Å; P811-H813 PolarHBondContact O-N 3.08Å; H813-P815 WeakPolarHBondContact O-CD 3.39Å |
| 814 | S | 66.8 | Low | 59.5 | Low | 9 Ų | 9 | 32.5 Ų | 32.5 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | trans | -94.4 | 109.6 | 177 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | E691 L812 F816 L817 E818 | E691-S814 WeakPolarHBondContact OE1-CB 3.36Å; E691-S814 WeakPolarHBondContact OE2-CB 3.31Å; E691-S814 PolarHBondContact OE2-OG 2.81Å; E691-S814 VanDerWaalsContact OE2-OG 3.08Å; L812-S814 PolarHBondContact O-N 3.45Å; L812-S814 VanDerWaalsContact O-N 3.14Å; S814-F816 PolarHBondContact O-N 3.42Å; S814-F816 VanDerWaalsContact O-N 3.15Å; S814-L817 PolarHBondContact O-N 3.11Å; S814-E818 PolarHBondContact O-N 3.42Å | ||
| 815 | P | 70.3 | Confident | 59.9 | Low | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -19.2 | 179 | 29.4 | -36.5 | 0 | 0 | 0 | 112.6 | H813 C819 I1052 L1147 F1150 | H813-P815 WeakPolarHBondContact O-CD 3.39Å; P815-C819 PolarHBondContact O-N 3.39Å; P815-C819 PolarHBondContact O-SG 2.92Å; P815-C819 VanDerWaalsContact O-SG 3.37Å; P815-I1052 HydrophobicContact CB-CD1 4.21Å; P815-I1052 HydrophobicContact CB-CG1 3.71Å; P815-L1147 HydrophobicContact CG-CD2 3.93Å; P815-F1150 HydrophobicContact CB-CE1 4.24Å; P815-F1150 HydrophobicContact CB-CZ 4.21Å; P815-F1150 WeakPolarHBondContact O-CZ 3.48Å |
| 816 | F | 77.7 | Confident | 60.1 | Low | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.4 | -47 | 174.5 | -59.9 | -97.1 | 0 | 0 | 0 | 112.2 | F687 I688 S814 C819 L820 L1147 F1150 I1215 | F687-F816 HydrophobicContact CZ-CD2 4.05Å; F687-F816 AromaticContact CZ-CE2 3.86Å; F687-F816 HydrophobicContact CZ-CE2 3.86Å; F687-F816 HydrophobicContact CZ-CZ 4.16Å; I688-F816 HydrophobicContact CD1-CB 3.23Å; I688-F816 HydrophobicContact CD1-CD1 3.94Å; I688-F816 HydrophobicContact CD1-CD2 3.93Å; I688-F816 HydrophobicContact CD1-CG 3.47Å; I688-F816 VanDerWaalsContact CD1-CG 3.47Å; I688-F816 HydrophobicContact CG1-CB 3.9Å; I688-F816 HydrophobicContact CG1-CG 4.46Å; S814-F816 PolarHBondContact O-N 3.42Å; S814-F816 VanDerWaalsContact O-N 3.15Å; F816-C819 PolarHBondContact O-N 3.16Å; F816-C819 VanDerWaalsContact O-N 3.15Å; F816-L820 PolarHBondContact O-N 3.45Å; F816-L1147 HydrophobicContact CE2-CD2 4.12Å; F816-L1147 HydrophobicContact CZ-CD2 4.43Å; F816-F1150 HydrophobicContact CB-CE2 4.48Å; F816-F1150 HydrophobicContact CD1-CB 4.38Å; F816-F1150 AromaticContact CD1-CD2 3.38Å; F816-F1150 HydrophobicContact CD1-CD2 3.38Å; F816-F1150 AromaticContact CD1-CE2 3.92Å; F816-F1150 HydrophobicContact CD1-CE2 3.92Å; F816-F1150 HydrophobicContact CD1-CG 4.14Å; F816-F1150 HydrophobicContact CE1-CB 3.59Å; F816-F1150 AromaticContact CE1-CD2 3.5Å; F816-F1150 HydrophobicContact CE1-CD2 3.5Å; F816-F1150 VanDerWaalsContact CE1-CD2 3.5Å; F816-F1150 HydrophobicContact CE1-CE2 4.42Å; F816-F1150 AromaticContact CE1-CG 3.81Å; F816-F1150 HydrophobicContact CE1-CG 3.81Å; F816-F1150 HydrophobicContact CG-CD2 4.04Å; F816-F1150 HydrophobicContact CG-CE2 4.2Å; F816-F1150 HydrophobicContact CZ-CB 3.86Å; F816-F1150 HydrophobicContact CZ-CD2 4.23Å; F816-F1150 HydrophobicContact CZ-CG 4.17Å; F816-I1215 HydrophobicContact CE1-CG2 3.91Å; F816-I1215 HydrophobicContact CZ-CG2 4.14Å |
| 817 | L | 74.8 | Confident | 60 | Low | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.1 | -38.2 | 180 | -174.1 | 60.6 | 0 | 0 | 0 | 111 | I688 E691 L695 L812 S814 C819 L820 A821 L1254 | I688-L817 HydrophobicContact CG2-CB 4.13Å; I688-L817 HydrophobicContact CG2-CD1 4.05Å; E691-L817 HydrophobicContact CG-CD2 3.84Å; L695-L817 HydrophobicContact CD1-CD2 3.6Å; L812-L817 HydrophobicContact CD1-CD2 4.25Å; L812-L817 HydrophobicContact CD1-CG 4.32Å; S814-L817 PolarHBondContact O-N 3.11Å; L817-C819 PolarHBondContact O-N 3.01Å; L817-L820 PolarHBondContact O-N 3.42Å; L817-A821 WeakPolarHBondContact O-CB 3.41Å; L817-A821 PolarHBondContact O-N 3.25Å; L817-L1254 HydrophobicContact CD1-CD1 4.44Å; L817-L1254 HydrophobicContact CD1-CD2 4.19Å |
| 818 | E | 72.2 | Confident | 59.6 | Low | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.7 | -41.2 | 170.6 | -169.5 | -170.3 | 142.4 | 0 | 0 | 111.4 | I808 S814 K822 R896 I1052 | I808-E818 HydrophobicContact CG2-CG 4.09Å; S814-E818 PolarHBondContact O-N 3.42Å; E818-K822 VanDerWaalsContact O-CG 3.27Å; E818-K822 WeakPolarHBondContact O-CG 3.29Å; E818-K822 PolarHBondContact O-N 3.4Å; E818-K822 WeakPolarHBondContact OE1-CE 3.42Å; E818-K822 IonicContact OE1-NZ 3.73Å; E818-K822 PolarHBondContact OE1-NZ 2.99Å; E818-R896 IonicContact OE1-CZ 3.11Å; E818-R896 IonicContact OE1-NE 3.55Å; E818-R896 PolarHBondContact OE1-NE 3.43Å; E818-R896 IonicContact OE1-NH2 2.94Å; E818-R896 PolarHBondContact OE1-NH2 2.84Å; E818-R896 IonicContact OE2-CZ 2.67Å; E818-R896 IonicContact OE2-NE 3.58Å; E818-R896 IonicContact OE2-NH2 3.39Å; E818-R896 PolarHBondContact OE2-NH2 3.11Å; E818-I1052 WeakPolarHBondContact OE2-CD1 3.23Å |
| 819 | C | 73.4 | Confident | 58.7 | Low | 16 Ų | 16 | 47 Ų | 47 | 11% | 0.108 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.7 | -41.5 | 179.6 | -76.5 | 0 | 0 | 0 | 0 | 114.2 | P815 F816 L817 F1150 | P815-C819 PolarHBondContact O-N 3.39Å; P815-C819 PolarHBondContact O-SG 2.92Å; P815-C819 VanDerWaalsContact O-SG 3.37Å; F816-C819 PolarHBondContact O-N 3.16Å; F816-C819 VanDerWaalsContact O-N 3.15Å; L817-C819 PolarHBondContact O-N 3.01Å; C819-F1150 HydrophobicContact CB-CE2 4.18Å; C819-F1150 HydrophobicContact CB-CZ 4.28Å |
| 820 | L | 76.3 | Confident | 58.1 | Low | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 174.4 | -76.2 | 174.1 | 0 | 0 | 0 | 110.8 | I688 F816 L817 K822 Q823 Y1222 L1251 L1254 L1255 L1258 | I688-L820 HydrophobicContact CG2-CD1 3.93Å; F816-L820 PolarHBondContact O-N 3.45Å; L817-L820 PolarHBondContact O-N 3.42Å; L820-K822 PolarHBondContact O-N 2.85Å; L820-Q823 VanDerWaalsContact O-CB 3.23Å; L820-Q823 WeakPolarHBondContact O-CB 3.46Å; L820-Q823 WeakPolarHBondContact O-CG 3.38Å; L820-Q823 PolarHBondContact O-N 3.29Å; L820-Y1222 HydrophobicContact CD2-CD2 4.28Å; L820-Y1222 HydrophobicContact CD2-CE2 4.34Å; L820-L1251 HydrophobicContact CD1-CD1 4.49Å; L820-L1254 HydrophobicContact CD1-CD2 4.32Å; L820-L1255 HydrophobicContact CD2-CD2 4.31Å; L820-L1258 HydrophobicContact CB-CD1 4.07Å |
| 821 | A | 71.4 | Confident | 57.4 | Low | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.3 | -30.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I808 L817 Q823 S824 L1258 | I808-A821 VanDerWaalsContact CD1-C 3.49Å; I808-A821 HydrophobicContact CD1-CB 3.3Å; I808-A821 WeakPolarHBondContact CD1-O 3.08Å; I808-A821 HydrophobicContact CG1-CB 3.54Å; I808-A821 HydrophobicContact CG2-CB 4.11Å; L817-A821 WeakPolarHBondContact O-CB 3.41Å; L817-A821 PolarHBondContact O-N 3.25Å; A821-Q823 PolarHBondContact O-N 3.25Å; A821-S824 WeakPolarHBondContact O-CB 3.36Å; A821-S824 PolarHBondContact O-N 2.92Å; A821-S824 VanDerWaalsContact O-N 3.11Å; A821-S824 PolarHBondContact O-OG 3.09Å; A821-L1258 HydrophobicContact CB-CD2 3.58Å |
| 822 | K | 71.1 | Confident | 56.8 | Low | 64 Ų | 64 | 54.2 Ų | 54.2 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -21.4 | 171.2 | -79.3 | 175.5 | -174.4 | 175.2 | 0 | 114.4 | E818 L820 S824 A825 | E818-K822 VanDerWaalsContact O-CG 3.27Å; E818-K822 WeakPolarHBondContact O-CG 3.29Å; E818-K822 PolarHBondContact O-N 3.4Å; E818-K822 WeakPolarHBondContact OE1-CE 3.42Å; E818-K822 IonicContact OE1-NZ 3.73Å; E818-K822 PolarHBondContact OE1-NZ 2.99Å; L820-K822 PolarHBondContact O-N 2.85Å; K822-S824 PolarHBondContact O-N 3.49Å; K822-A825 PolarHBondContact O-N 2.86Å |
| 823 | Q | 74.4 | Confident | 55.6 | Low | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.009 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -24.1 | 174.8 | -59.1 | 175.6 | 22 | 0 | 0 | 112 | L820 A821 N827 L1220 D1221 L1260 | L820-Q823 VanDerWaalsContact O-CB 3.23Å; L820-Q823 WeakPolarHBondContact O-CB 3.46Å; L820-Q823 WeakPolarHBondContact O-CG 3.38Å; L820-Q823 PolarHBondContact O-N 3.29Å; A821-Q823 PolarHBondContact O-N 3.25Å; Q823-N827 PolarHBondContact O-ND2 3.32Å; Q823-L1220 PolarHBondContact NE2-O 3.03Å; Q823-D1221 VanDerWaalsContact CD-OD1 3.32Å; Q823-D1221 VanDerWaalsContact CD-OD2 3.31Å; Q823-D1221 VanDerWaalsContact CG-OD2 3.31Å; Q823-D1221 WeakPolarHBondContact CG-OD2 3.4Å; Q823-D1221 PolarHBondContact NE2-OD2 3.33Å; Q823-D1221 PolarHBondContact OE1-OD1 3.39Å; Q823-L1260 HydrophobicContact CB-CD2 3.68Å |
| 824 | S | 65.8 | Low | 54.3 | Low | 16 Ų | 16 | 62.3 Ų | 62.3 | 11% | 0.112 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -73.4 | -41.5 | 174.1 | 70.9 | 0 | 0 | 0 | 0 | 112.9 | A821 K822 N826 L1258 | A821-S824 WeakPolarHBondContact O-CB 3.36Å; A821-S824 PolarHBondContact O-N 2.92Å; A821-S824 VanDerWaalsContact O-N 3.11Å; A821-S824 PolarHBondContact O-OG 3.09Å; K822-S824 PolarHBondContact O-N 3.49Å; S824-N826 PolarHBondContact O-N 3.15Å; S824-L1258 VanDerWaalsContact CB-O 3.23Å; S824-L1258 WeakPolarHBondContact CB-O 3.48Å |
| 825 | A | 56 | Low | 52.2 | Low | 36 Ų | 36 | 69.6 Ų | 69.6 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.2 | -31.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K822 N827 | K822-A825 PolarHBondContact O-N 2.86Å; A825-N827 PolarHBondContact O-N 3.09Å |
| 826 | N | 51.8 | Low | 50.1 | Low | 127 Ų | 127 | 73.6 Ų | 73.6 | 68% | 0.679 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -2.5 | -175 | -70.7 | -14.9 | 0 | 0 | 0 | 115.1 | S824 | S824-N826 PolarHBondContact O-N 3.15Š|
| 827 | N | 42.7 | Very low | 47.6 | Very low | 89 Ų | 89 | 82 Ų | 82 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 4.4 | -168.1 | -68.4 | -73.3 | 0 | 0 | 0 | 115 | Q823 A825 S829 | Q823-N827 PolarHBondContact O-ND2 3.32Å; A825-N827 PolarHBondContact O-N 3.09Å; N827-S829 PolarHBondContact O-N 3.46Å |
| 828 | I | 39 | Very low | 45.2 | Very low | 131 Ų | 131 | 87.6 Ų | 87.6 | 67% | 0.672 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -76.9 | 116.8 | 170.9 | -56.7 | 178.9 | 0 | 0 | 0 | 108.7 | ||
| 829 | S | 31.1 | Very low | 43.2 | Very low | 76 Ų | 76 | 92.3 Ų | 92.3 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | trans | -61 | 141.8 | 177.3 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | N827 T831 | N827-S829 PolarHBondContact O-N 3.46Å; S829-T831 PolarHBondContact O-N 2.9Å; S829-T831 PolarHBondContact O-OG1 3.18Å; S829-T831 PolarHBondContact OG-OG1 3.16Å; S829-T831 VanDerWaalsContact OG-OG1 3.12Å | ||
| 830 | P | 27.5 | Very low | 41 | Very low | 136 Ų | 136 | 96 Ų | 96 | 88% | 0.883 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -77.2 | 68.4 | -173.2 | 32.7 | -37.4 | 0 | 0 | 0 | 112.4 | ||
| 831 | T | 23 | Very low | 38.8 | Very low | 100 Ų | 100 | 105 Ų | 105 | 61% | 0.613 | 57% | 0.572 | S | S | * | * | trans | -135.5 | 19.7 | -173.1 | 37.4 | 0 | 0 | 0 | 0 | 114.7 | S829 | S829-T831 PolarHBondContact O-N 2.9Å; S829-T831 PolarHBondContact O-OG1 3.18Å; S829-T831 PolarHBondContact OG-OG1 3.16Å; S829-T831 VanDerWaalsContact OG-OG1 3.12Å | ||
| 832 | Y | 26 | Very low | 37.1 | Very low | 208 Ų | 208 | 110.5 Ų | 110.5 | 82% | 0.816 | 60% | 0.599 | S | S | * | * | trans | -138.1 | 122.3 | 159.5 | -80.9 | -73.3 | 0 | 0 | 0 | 111.3 | L834 | Y832-L834 VanDerWaalsContact C-N 3.34Å; Y832-L834 PolarHBondContact O-N 2.66Å | ||
| 833 | P | 24.5 | Very low | 35.6 | Very low | 127 Ų | 127 | 115.4 Ų | 115.4 | 83% | 0.825 | 62% | 0.623 | S | S | * | * | trans | -84 | 74.6 | 178.2 | 34.5 | -34.5 | 0 | 0 | 0 | 111.1 | ||||
| 834 | L | 24.3 | Very low | 34.3 | Very low | 151 Ų | 151 | 116.4 Ų | 116.4 | 79% | 0.791 | 63% | 0.628 | S | S | * | * | trans | -96.8 | 110.8 | 162.8 | -85.1 | 167.3 | 0 | 0 | 0 | 108.2 | Y832 P836 | Y832-L834 VanDerWaalsContact C-N 3.34Å; Y832-L834 PolarHBondContact O-N 2.66Å; L834-P836 WeakPolarHBondContact O-CD 3.47Å | ||
| 835 | N | 22.7 | Very low | 33.6 | Very low | 161 Ų | 161 | 119.2 Ų | 119.2 | 86% | 0.861 | 65% | 0.645 | S | S | * | * | trans | -36.2 | 101.1 | -173.6 | -72.9 | -9.3 | 0 | 0 | 0 | 113.8 | ||||
| 836 | P | 26.2 | Very low | 33.6 | Very low | 86 Ų | 86 | 120.1 Ų | 120.1 | 56% | 0.558 | 65% | 0.645 | S | S | * | * | trans | -68.5 | 156.6 | 155.5 | 34.1 | -34.2 | 0 | 0 | 0 | 107.9 | L834 Q838 P839 | L834-P836 WeakPolarHBondContact O-CD 3.47Å; P836-Q838 PolarHBondContact O-N 2.68Å; P836-Q838 VanDerWaalsContact O-N 3.13Å; P836-P839 HydrophobicContact CG-CG 4.35Å | ||
| 837 | L | 26.5 | Very low | 34 | Very low | 180 Ų | 180 | 118.1 Ų | 118.1 | 94% | 0.942 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -62.3 | 116.2 | 151.4 | -80.4 | 164.1 | 0 | 0 | 0 | 106.5 | P839 | L837-P839 WeakPolarHBondContact O-CD 3.24Š|
| 838 | Q | 23.6 | Very low | 35 | Very low | 122 Ų | 122 | 115.3 Ų | 115.3 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | trans | -27 | 109.2 | -173.3 | -72.2 | 170.2 | -74.3 | 0 | 0 | 114.4 | P836 D840 | P836-Q838 PolarHBondContact O-N 2.68Å; P836-Q838 VanDerWaalsContact O-N 3.13Å; Q838-D840 HydrophobicContact CB-CB 3.83Å; Q838-D840 WeakPolarHBondContact CB-OD1 3.45Å; Q838-D840 HydrophobicContact CG-CB 4.28Å; Q838-D840 PolarHBondContact NE2-OD2 2.83Å; Q838-D840 PolarHBondContact O-N 3.4Å; Q838-D840 VanDerWaalsContact O-N 3.11Å | ||
| 839 | P | 30.3 | Very low | 36.4 | Very low | 106 Ų | 106 | 109.1 Ų | 109.1 | 69% | 0.688 | 59% | 0.59 | S | S | * | * | trans | -76.6 | 35 | 151.9 | 36.6 | -34.2 | 0 | 0 | 0 | 109.9 | P836 L837 Q841 | P836-P839 HydrophobicContact CG-CG 4.35Å; L837-P839 WeakPolarHBondContact O-CD 3.24Å; P839-Q841 PolarHBondContact O-N 2.8Å; P839-Q841 VanDerWaalsContact O-N 3.08Å | ||
| 840 | D | 26.4 | Very low | 38.2 | Very low | 94 Ų | 94 | 109 Ų | 109 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | trans | -73.1 | 104.5 | -179.5 | -72.9 | 22.7 | 0 | 0 | 0 | 108 | Q838 M842 | Q838-D840 HydrophobicContact CB-CB 3.83Å; Q838-D840 WeakPolarHBondContact CB-OD1 3.45Å; Q838-D840 HydrophobicContact CG-CB 4.28Å; Q838-D840 PolarHBondContact NE2-OD2 2.83Å; Q838-D840 PolarHBondContact O-N 3.4Å; Q838-D840 VanDerWaalsContact O-N 3.11Å; D840-M842 PolarHBondContact O-N 3.41Å | ||
| 841 | Q | 31.7 | Very low | 40.1 | Very low | 190 Ų | 190 | 107.7 Ų | 107.7 | 89% | 0.888 | 57% | 0.566 | S | S | * | * | trans | 50.6 | 17.4 | 135.5 | -59.4 | -172.5 | -18.2 | 0 | 0 | 118 | P839 E843 | P839-Q841 PolarHBondContact O-N 2.8Å; P839-Q841 VanDerWaalsContact O-N 3.08Å; Q841-E843 PolarHBondContact O-N 2.84Å | ||
| 842 | M | 35 | Very low | 42.2 | Very low | 118 Ų | 118 | 104.9 Ų | 104.9 | 58% | 0.581 | 55% | 0.547 | S | S | * | . | trans | -79 | 71.3 | 163.5 | -161.9 | 167.9 | 76.8 | 0 | 0 | 107.6 | D840 L844 I848 | D840-M842 PolarHBondContact O-N 3.41Å; M842-L844 HydrophobicContact CE-CD1 4.11Å; M842-L844 PolarHBondContact O-N 2.99Å; M842-L844 VanDerWaalsContact O-N 3.07Å; M842-I848 HydrophobicContact CE-CD1 4.44Å; M842-I848 HydrophobicContact CE-CG2 4.43Å; M842-I848 HydrophobicContact CG-CD1 3.56Å; M842-I848 HydrophobicContact SD-CD1 3.7Å | ||
| 843 | E | 38.8 | Very low | 44.3 | Very low | 167 Ų | 167 | 95.2 Ų | 95.2 | 78% | 0.78 | 51% | 0.509 | S | S | * | . | trans | -46.5 | 116.9 | 149.4 | -66.9 | -173.2 | 143.1 | 0 | 0 | 106.1 | Q841 T845 | Q841-E843 PolarHBondContact O-N 2.84Å; E843-T845 PolarHBondContact O-N 3.11Å | ||
| 844 | L | 47.1 | Very low | 46.4 | Very low | 23 Ų | 23 | 91.5 Ų | 91.5 | 12% | 0.12 | 49% | 0.489 | C | S | . | . | trans | -69.3 | 86.9 | 176.8 | -111 | 92.4 | 0 | 0 | 0 | 107.9 | M842 I848 L852 H897 F905 | M842-L844 HydrophobicContact CE-CD1 4.11Å; M842-L844 PolarHBondContact O-N 2.99Å; M842-L844 VanDerWaalsContact O-N 3.07Å; L844-I848 HydrophobicContact CD1-CG2 4.36Å; L844-I848 HydrophobicContact CD2-CB 4.2Å; L844-I848 HydrophobicContact CD2-CG2 3.83Å; L844-I848 HydrophobicContact CG-CB 3.97Å; L844-I848 HydrophobicContact CG-CD1 4.36Å; L844-I848 HydrophobicContact CG-CG2 3.76Å; L844-L852 HydrophobicContact CD2-CD1 4.15Å; L844-H897 WeakPolarHBondContact CD1-NE2 3.3Å; L844-F905 HydrophobicContact CB-CD1 4.36Å; L844-F905 HydrophobicContact CB-CE1 3.41Å; L844-F905 VanDerWaalsContact CB-CE1 3.41Å; L844-F905 HydrophobicContact CB-CZ 3.93Å; L844-F905 HydrophobicContact CD2-CE1 4.46Å; L844-F905 HydrophobicContact CD2-CZ 4.46Å | ||
| 845 | T | 51.4 | Low | 48.5 | Very low | 75 Ų | 75 | 89.2 Ų | 89.2 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | trans | -54.4 | 145.5 | 159.8 | 66.7 | 0 | 0 | 0 | 0 | 107.9 | E843 T847 I848 | E843-T845 PolarHBondContact O-N 3.11Å; T845-T847 PolarHBondContact O-N 3.32Å; T845-T847 PolarHBondContact OG1-OG1 2.7Å; T845-I848 PolarHBondContact O-N 2.8Å | ||
| 846 | D | 56.8 | Low | 50.6 | Low | 56 Ų | 56 | 81.6 Ų | 81.6 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -54.4 | -24.7 | -175.4 | -66.7 | -53.8 | 0 | 0 | 0 | 112.7 | I848 L849 D850 S906 H912 | D846-I848 VanDerWaalsContact C-N 3.25Å; D846-I848 PolarHBondContact O-N 3.06Å; D846-L849 WeakPolarHBondContact O-CB 3.35Å; D846-L849 PolarHBondContact O-N 3.33Å; D846-L849 VanDerWaalsContact O-N 3.09Å; D846-D850 PolarHBondContact O-N 2.88Å; D846-S906 PolarHBondContact OD1-N 2.88Å; D846-S906 PolarHBondContact OD1-OG 3.38Å; D846-S906 PolarHBondContact OD2-OG 3.17Å; D846-H912 WeakPolarHBondContact CA-NE2 3.4Å; D846-H912 WeakPolarHBondContact CB-NE2 3.41Å; D846-H912 PolarHBondContact O-NE2 2.84Å; D846-H912 IonicContact OD1-CE1 2.72Å; D846-H912 IonicContact OD1-NE2 3.65Å; D846-H912 PolarHBondContact OD1-NE2 2.67Å |
| 847 | T | 59.4 | Low | 52.7 | Low | 84 Ų | 84 | 80.7 Ų | 80.7 | 52% | 0.515 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.6 | -27.7 | 173.9 | 76.1 | 0 | 0 | 0 | 0 | 115.1 | T845 Q851 | T845-T847 PolarHBondContact O-N 3.32Å; T845-T847 PolarHBondContact OG1-OG1 2.7Å; T847-Q851 WeakPolarHBondContact O-CG 3.31Å; T847-Q851 PolarHBondContact O-N 2.91Å; T847-Q851 PolarHBondContact O-NE2 3.01Å |
| 848 | I | 63.3 | Low | 54.8 | Low | 31 Ų | 31 | 72.1 Ų | 72.1 | 16% | 0.159 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -84.8 | -33.6 | 177.3 | -62.3 | 157 | 0 | 0 | 0 | 109.9 | M842 L844 T845 D846 Q851 L852 | M842-I848 HydrophobicContact CE-CD1 4.44Å; M842-I848 HydrophobicContact CE-CG2 4.43Å; M842-I848 HydrophobicContact CG-CD1 3.56Å; M842-I848 HydrophobicContact SD-CD1 3.7Å; L844-I848 HydrophobicContact CD1-CG2 4.36Å; L844-I848 HydrophobicContact CD2-CB 4.2Å; L844-I848 HydrophobicContact CD2-CG2 3.83Å; L844-I848 HydrophobicContact CG-CB 3.97Å; L844-I848 HydrophobicContact CG-CD1 4.36Å; L844-I848 HydrophobicContact CG-CG2 3.76Å; T845-I848 PolarHBondContact O-N 2.8Å; D846-I848 VanDerWaalsContact C-N 3.25Å; D846-I848 PolarHBondContact O-N 3.06Å; I848-Q851 PolarHBondContact O-N 3.41Å; I848-L852 HydrophobicContact CG2-CD1 4.18Å; I848-L852 WeakPolarHBondContact O-CG 3.24Å; I848-L852 PolarHBondContact O-N 2.94Å |
| 849 | L | 69.8 | Low | 57 | Low | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 173 | -174.7 | 56.9 | 0 | 0 | 0 | 110.7 | D846 Q851 L852 I853 L894 F905 W907 | D846-L849 WeakPolarHBondContact O-CB 3.35Å; D846-L849 PolarHBondContact O-N 3.33Å; D846-L849 VanDerWaalsContact O-N 3.09Å; L849-Q851 VanDerWaalsContact C-N 3.34Å; L849-Q851 PolarHBondContact O-N 2.97Å; L849-L852 PolarHBondContact O-N 3.49Å; L849-I853 HydrophobicContact CD1-CD1 4.15Å; L849-I853 HydrophobicContact CD1-CG1 4.34Å; L849-I853 HydrophobicContact CG-CD1 3.91Å; L849-I853 WeakPolarHBondContact O-CB 3.48Å; L849-I853 VanDerWaalsContact O-CG1 3.23Å; L849-I853 WeakPolarHBondContact O-CG1 3.39Å; L849-I853 PolarHBondContact O-N 3.12Å; L849-L894 HydrophobicContact CD1-CD1 4.47Å; L849-F905 HydrophobicContact CD2-CB 4.12Å; L849-F905 HydrophobicContact CD2-CG 4.25Å; L849-W907 HydrophobicContact CD2-CH2 4.36Å; L849-W907 HydrophobicContact CD2-CZ3 4.48Å |
| 850 | D | 68.5 | Low | 58.2 | Low | 73 Ų | 73 | 62.8 Ų | 62.8 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.9 | -44.5 | 170.8 | -91.6 | -44.6 | 0 | 0 | 0 | 112.2 | D846 I853 A854 H912 | D846-D850 PolarHBondContact O-N 2.88Å; D850-I853 PolarHBondContact O-N 3.46Å; D850-A854 WeakPolarHBondContact O-CB 3.34Å; D850-A854 PolarHBondContact O-N 3.33Å; D850-H912 IonicContact OD1-CD2 2.94Å |
| 851 | Q | 66.1 | Low | 59.5 | Low | 109 Ų | 109 | 64.5 Ų | 64.5 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 177.5 | -74.2 | 170.6 | 41.1 | 0 | 0 | 112.3 | T847 I848 L849 A854 L855 | T847-Q851 WeakPolarHBondContact O-CG 3.31Å; T847-Q851 PolarHBondContact O-N 2.91Å; T847-Q851 PolarHBondContact O-NE2 3.01Å; I848-Q851 PolarHBondContact O-N 3.41Å; L849-Q851 VanDerWaalsContact C-N 3.34Å; L849-Q851 PolarHBondContact O-N 2.97Å; Q851-A854 PolarHBondContact O-N 3.41Å; Q851-L855 WeakPolarHBondContact O-CB 3.39Å; Q851-L855 VanDerWaalsContact O-CG 3.29Å; Q851-L855 WeakPolarHBondContact O-CG 3.38Å; Q851-L855 PolarHBondContact O-N 3.32Å |
| 852 | L | 67.1 | Low | 60.1 | Low | 41 Ų | 41 | 61.8 Ų | 61.8 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 176.5 | -71.1 | 170.3 | 0 | 0 | 0 | 111.7 | L844 I848 L849 L855 S856 I890 L894 | L844-L852 HydrophobicContact CD2-CD1 4.15Å; I848-L852 HydrophobicContact CG2-CD1 4.18Å; I848-L852 WeakPolarHBondContact O-CG 3.24Å; I848-L852 PolarHBondContact O-N 2.94Å; L849-L852 PolarHBondContact O-N 3.49Å; L852-L855 PolarHBondContact O-N 3.24Å; L852-S856 VanDerWaalsContact O-CB 3.28Å; L852-S856 WeakPolarHBondContact O-CB 3.27Å; L852-S856 PolarHBondContact O-N 2.69Å; L852-I890 HydrophobicContact CD2-CG2 3.89Å; L852-L894 HydrophobicContact CD1-CD1 4.21Å |
| 853 | I | 70.6 | Confident | 60 | Low | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 174.3 | -71.6 | 169.7 | 0 | 0 | 0 | 110.4 | L849 D850 L855 S856 L859 H912 F915 | L849-I853 HydrophobicContact CD1-CD1 4.15Å; L849-I853 HydrophobicContact CD1-CG1 4.34Å; L849-I853 HydrophobicContact CG-CD1 3.91Å; L849-I853 WeakPolarHBondContact O-CB 3.48Å; L849-I853 VanDerWaalsContact O-CG1 3.23Å; L849-I853 WeakPolarHBondContact O-CG1 3.39Å; L849-I853 PolarHBondContact O-N 3.12Å; D850-I853 PolarHBondContact O-N 3.46Å; I853-L855 PolarHBondContact O-N 2.73Å; I853-S856 PolarHBondContact O-N 3.35Å; I853-S856 PolarHBondContact O-OG 3.14Å; I853-L859 HydrophobicContact CG2-CD1 4.15Å; I853-H912 VanDerWaalsContact CD1-CD2 3.46Å; I853-H912 WeakPolarHBondContact CD1-CD2 3.3Å; I853-F915 HydrophobicContact CB-CD2 4.33Å; I853-F915 HydrophobicContact CD1-CB 3.94Å; I853-F915 HydrophobicContact CD1-CD1 4.07Å; I853-F915 HydrophobicContact CD1-CG 3.93Å; I853-F915 HydrophobicContact CG1-CB 4.16Å; I853-F915 HydrophobicContact CG1-CD1 3.96Å; I853-F915 HydrophobicContact CG1-CD2 3.82Å; I853-F915 HydrophobicContact CG1-CE1 4.29Å; I853-F915 HydrophobicContact CG1-CE2 4.15Å; I853-F915 HydrophobicContact CG1-CG 3.71Å; I853-F915 HydrophobicContact CG1-CZ 4.38Å; I853-F915 HydrophobicContact CG2-CB 4.17Å; I853-F915 HydrophobicContact CG2-CD2 3.97Å; I853-F915 HydrophobicContact CG2-CG 4.25Å |
| 854 | A | 68.1 | Low | 59.7 | Low | 49 Ų | 49 | 61.1 Ų | 61.1 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D850 Q851 F861 | D850-A854 WeakPolarHBondContact O-CB 3.34Å; D850-A854 PolarHBondContact O-N 3.33Å; Q851-A854 PolarHBondContact O-N 3.41Å; A854-F861 HydrophobicContact CB-CE2 4.44Å |
| 855 | L | 68.8 | Low | 59 | Low | 103 Ų | 103 | 63.7 Ų | 63.7 | 54% | 0.539 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76.2 | -20.7 | 179.3 | -66 | 170.5 | 0 | 0 | 0 | 113.8 | Q851 L852 I853 N857 I890 | Q851-L855 WeakPolarHBondContact O-CB 3.39Å; Q851-L855 VanDerWaalsContact O-CG 3.29Å; Q851-L855 WeakPolarHBondContact O-CG 3.38Å; Q851-L855 PolarHBondContact O-N 3.32Å; L852-L855 PolarHBondContact O-N 3.24Å; I853-L855 PolarHBondContact O-N 2.73Å; L855-N857 PolarHBondContact O-N 3.29Å; L855-I890 HydrophobicContact CB-CD1 3.65Å |
| 856 | S | 66.8 | Low | 57.9 | Low | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.9 | 179.1 | 75.7 | 0 | 0 | 0 | 0 | 114.4 | L852 I853 V858 N887 | L852-S856 VanDerWaalsContact O-CB 3.28Å; L852-S856 WeakPolarHBondContact O-CB 3.27Å; L852-S856 PolarHBondContact O-N 2.69Å; I853-S856 PolarHBondContact O-N 3.35Å; I853-S856 PolarHBondContact O-OG 3.14Å; S856-V858 PolarHBondContact O-N 3.06Å; S856-V858 WeakPolarHBondContact OG-CG2 2.99Å; S856-V858 PolarHBondContact OG-N 3.14Å; S856-N887 PolarHBondContact O-N 3.15Å |
| 857 | N | 70.7 | Confident | 56.6 | Low | 67 Ų | 67 | 75.1 Ų | 75.1 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | trans | 61.9 | 5.1 | -171.8 | -95.7 | -45.3 | 0 | 0 | 0 | 116.5 | L855 L859 K881 L885 | L855-N857 PolarHBondContact O-N 3.29Å; N857-L859 PolarHBondContact O-N 3.17Å; N857-K881 WeakPolarHBondContact O-CD 3.34Å; N857-K881 WeakPolarHBondContact O-CE 3.41Å; N857-K881 WeakPolarHBondContact O-CG 3.45Å; N857-K881 PolarHBondContact OD1-NZ 2.84Å; N857-L885 WeakPolarHBondContact CB-O 3.26Å | ||
| 858 | V | 70.7 | Confident | 55.1 | Low | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -63.3 | -41.5 | -178.1 | 175.7 | 0 | 0 | 0 | 0 | 112.5 | S856 T880 K881 W886 L891 F915 A918 | S856-V858 PolarHBondContact O-N 3.06Å; S856-V858 WeakPolarHBondContact OG-CG2 2.99Å; S856-V858 PolarHBondContact OG-N 3.14Å; V858-T880 WeakPolarHBondContact O-CA 3.33Å; V858-K881 PolarHBondContact O-N 3.38Å; V858-W886 HydrophobicContact CG1-CH2 4.45Å; V858-W886 HydrophobicContact CG1-CZ2 3.97Å; V858-W886 HydrophobicContact CG2-CB 4.5Å; V858-W886 HydrophobicContact CG2-CD2 3.69Å; V858-W886 HydrophobicContact CG2-CE3 3.99Å; V858-W886 HydrophobicContact CG2-CG 3.91Å; V858-W886 HydrophobicContact CG2-CZ2 4.47Å; V858-L891 HydrophobicContact CG2-CD1 4.31Å; V858-L891 HydrophobicContact CG2-CD2 4.36Å; V858-F915 HydrophobicContact CB-CD2 3.89Å; V858-F915 HydrophobicContact CB-CE2 3.93Å; V858-F915 HydrophobicContact CG1-CD2 4Å; V858-F915 HydrophobicContact CG1-CE2 4.32Å; V858-F915 HydrophobicContact CG2-CD2 4.19Å; V858-F915 HydrophobicContact CG2-CE2 3.71Å; V858-A918 HydrophobicContact CG1-CB 4.01Å |
| 859 | L | 69 | Low | 53.3 | Low | 7 Ų | 7 | 84.2 Ų | 84.2 | 4% | 0.037 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 147.8 | 176.3 | -60.9 | 177.7 | 0 | 0 | 0 | 110.8 | I853 N857 Y878 T880 K914 F915 | I853-L859 HydrophobicContact CG2-CD1 4.15Å; N857-L859 PolarHBondContact O-N 3.17Å; L859-Y878 HydrophobicContact CD1-CD1 4.19Å; L859-T880 HydrophobicContact CD2-CG2 4Å; L859-K914 HydrophobicContact CD1-CB 4.31Å; L859-K914 HydrophobicContact CD2-CB 4.41Å; L859-F915 HydrophobicContact CD1-CB 4.25Å |
| 860 | S | 55.5 | Low | 51.2 | Low | 26 Ų | 26 | 93.1 Ų | 93.1 | 18% | 0.182 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.6 | 171.7 | 66.9 | 0 | 0 | 0 | 0 | 112 | D879 | S860-D879 WeakPolarHBondContact CB-O 3.09Å; S860-D879 PolarHBondContact N-O 2.97Å; S860-D879 PolarHBondContact OG-O 3.35Å |
| 861 | F | 54.5 | Low | 49.2 | Very low | 130 Ų | 130 | 94.2 Ų | 94.2 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 113.5 | 178.5 | -64.8 | -88.4 | 0 | 0 | 0 | 110 | A854 Y878 | A854-F861 HydrophobicContact CB-CE2 4.44Å; F861-Y878 HydrophobicContact CD1-CE1 4.31Å; F861-Y878 HydrophobicContact CE1-CD1 4.43Å; F861-Y878 AromaticContact CE1-CE1 3.85Å; F861-Y878 HydrophobicContact CE1-CE1 3.85Å |
| 862 | K | 43.1 | Very low | 47.3 | Very low | 133 Ų | 133 | 98 Ų | 98 | 58% | 0.578 | 50% | 0.503 | S | S | * | . | trans | -106.1 | 92.9 | 171.6 | -75.8 | 176.7 | 179 | 167.3 | 0 | 110.4 | K864 D879 | K862-K864 PolarHBondContact O-N 3.47Å; K862-D879 WeakPolarHBondContact CE-OD2 3.25Å; K862-D879 IonicContact NZ-OD2 2.88Å; K862-D879 PolarHBondContact NZ-OD2 3.28Å | ||
| 863 | S | 34.6 | Very low | 45.3 | Very low | 78 Ų | 78 | 101.7 Ų | 101.7 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | trans | -70.9 | 110.6 | 163.2 | 53 | 0 | 0 | 0 | 0 | 109.4 | S865 F985 | S863-S865 PolarHBondContact O-N 2.91Å; S863-F985 WeakPolarHBondContact OG-CE2 3.5Å | ||
| 864 | K | 30.9 | Very low | 43.2 | Very low | 193 Ų | 193 | 110.5 Ų | 110.5 | 84% | 0.839 | 57% | 0.572 | S | S | * | * | trans | -66.6 | 115.4 | 166.8 | -76.1 | -173.5 | 175.7 | -177.8 | 0 | 108.7 | K862 | K862-K864 PolarHBondContact O-N 3.47Š| ||
| 865 | S | 32.9 | Very low | 41.6 | Very low | 77 Ų | 77 | 113.6 Ų | 113.6 | 54% | 0.538 | 59% | 0.586 | S | S | . | * | trans | -61.8 | 145.8 | 169 | 43.5 | 0 | 0 | 0 | 0 | 110.5 | S863 | S863-S865 PolarHBondContact O-N 2.91Š| ||
| 866 | Q | 28.9 | Very low | 40.1 | Very low | 172 Ų | 172 | 113.2 Ų | 113.2 | 80% | 0.804 | 59% | 0.588 | S | S | * | * | trans | -82.5 | 125.7 | -173.3 | -67.7 | 179.7 | -13.6 | 0 | 0 | 112.2 | ||||
| 867 | H | 29.7 | Very low | 38.9 | Very low | 198 Ų | 198 | 116.8 Ų | 116.8 | 92% | 0.917 | 61% | 0.61 | S | S | * | * | trans | -146.5 | 138 | 150.2 | -85.2 | -66.5 | 0 | 0 | 0 | 109.2 | ||||
| 868 | G | 27.9 | Very low | 38 | Very low | 73 Ų | 73 | 116 Ų | 116 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 103.6 | 31 | 147.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||
| 869 | R | 25.4 | Very low | 37.2 | Very low | 233 Ų | 233 | 119.1 Ų | 119.1 | 88% | 0.879 | 62% | 0.619 | S | S | * | * | trans | 68.4 | 158.8 | 160.3 | -62.4 | 180 | 168 | 168.8 | -3.8 | 119.2 | ||||
| 870 | F | 26.1 | Very low | 36.9 | Very low | 189 Ų | 189 | 123 Ų | 123 | 83% | 0.829 | 64% | 0.643 | S | S | * | * | trans | 71.6 | 96.8 | 168.7 | -65.8 | -69.4 | 0 | 0 | 0 | 121 | ||||
| 871 | S | 25.8 | Very low | 37.4 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | trans | 57.1 | 110.4 | 135.4 | 54.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 872 | Q | 26.9 | Very low | 38 | Very low | 189 Ų | 189 | 121.6 Ų | 121.6 | 88% | 0.883 | 64% | 0.641 | S | S | * | * | trans | 73.3 | 154.9 | 145.5 | -74.2 | 165.6 | -48.1 | 0 | 0 | 120 | ||||
| 873 | C | 25 | Very low | 39.2 | Very low | 118 Ų | 118 | 116.4 Ų | 116.4 | 80% | 0.797 | 62% | 0.621 | S | S | * | * | trans | 60.3 | 72.5 | -179.5 | -66.2 | 0 | 0 | 0 | 0 | 117.1 | V875 | C873-V875 PolarHBondContact O-N 2.84Š| ||
| 874 | Q | 25.8 | Very low | 40.7 | Very low | 188 Ų | 188 | 119.7 Ų | 119.7 | 88% | 0.879 | 63% | 0.627 | S | S | * | * | trans | -69.6 | 104.8 | 160.2 | -75.1 | -172.9 | -11.1 | 0 | 0 | 110.9 | ||||
| 875 | V | 34.5 | Very low | 42.6 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 70% | 0.697 | 61% | 0.614 | S | S | * | * | trans | -95.9 | 113.7 | 168 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | C873 T877 | C873-V875 PolarHBondContact O-N 2.84Å; V875-T877 PolarHBondContact O-N 2.81Å; V875-T877 VanDerWaalsContact O-N 3.15Å | ||
| 876 | T | 37.7 | Very low | 44.9 | Very low | 95 Ų | 95 | 112.7 Ų | 112.7 | 58% | 0.583 | 59% | 0.591 | S | S | * | * | trans | -71.9 | 104 | 172.1 | 42.4 | 0 | 0 | 0 | 0 | 110.4 | Y878 | T876-Y878 VanDerWaalsContact O-CD2 3.24Å; T876-Y878 WeakPolarHBondContact O-CD2 3.14Å | ||
| 877 | T | 40.9 | Very low | 47.3 | Very low | 75 Ų | 75 | 107.2 Ų | 107.2 | 46% | 0.46 | 57% | 0.567 | S | S | . | * | trans | -80.7 | 124.4 | 171.8 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | V875 | V875-T877 PolarHBondContact O-N 2.81Å; V875-T877 VanDerWaalsContact O-N 3.15Å | ||
| 878 | Y | 51.4 | Low | 49.5 | Very low | 51 Ų | 51 | 98 Ų | 98 | 20% | 0.2 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.5 | 176.4 | -62.7 | -109.5 | 0 | 0 | 0 | 107.1 | L859 F861 T876 K914 | L859-Y878 HydrophobicContact CD1-CD1 4.19Å; F861-Y878 HydrophobicContact CD1-CE1 4.31Å; F861-Y878 HydrophobicContact CE1-CD1 4.43Å; F861-Y878 AromaticContact CE1-CE1 3.85Å; F861-Y878 HydrophobicContact CE1-CE1 3.85Å; T876-Y878 VanDerWaalsContact O-CD2 3.24Å; T876-Y878 WeakPolarHBondContact O-CD2 3.14Å; Y878-K914 HydrophobicContact CD2-CD 4.03Å; Y878-K914 HydrophobicContact CG-CD 4.09Å |
| 879 | D | 55.8 | Low | 51.6 | Low | 65 Ų | 65 | 99.3 Ų | 99.3 | 35% | 0.348 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.8 | 176.8 | -52 | -26.3 | 0 | 0 | 0 | 108.9 | S860 K862 | S860-D879 WeakPolarHBondContact CB-O 3.09Å; S860-D879 PolarHBondContact N-O 2.97Å; S860-D879 PolarHBondContact OG-O 3.35Å; K862-D879 WeakPolarHBondContact CE-OD2 3.25Å; K862-D879 IonicContact NZ-OD2 2.88Å; K862-D879 PolarHBondContact NZ-OD2 3.28Å |
| 880 | T | 60.7 | Low | 53.9 | Low | 89 Ų | 89 | 89.9 Ų | 89.9 | 55% | 0.546 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 140.4 | 177.6 | 43.4 | 0 | 0 | 0 | 0 | 111.7 | V858 L859 A918 | V858-T880 WeakPolarHBondContact O-CA 3.33Å; L859-T880 HydrophobicContact CD2-CG2 4Å; T880-A918 HydrophobicContact CG2-CB 3.67Å |
| 881 | K | 67.7 | Low | 56.4 | Low | 66 Ų | 66 | 80.9 Ų | 80.9 | 29% | 0.287 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 156.3 | 172.2 | -56 | -165.4 | -163.6 | 175.5 | 0 | 111.3 | N857 V858 L885 W886 | N857-K881 WeakPolarHBondContact O-CD 3.34Å; N857-K881 WeakPolarHBondContact O-CE 3.41Å; N857-K881 WeakPolarHBondContact O-CG 3.45Å; N857-K881 PolarHBondContact OD1-NZ 2.84Å; V858-K881 PolarHBondContact O-N 3.38Å; K881-L885 HydrophobicContact CB-CB 4.33Å; K881-W886 PolarHBondContact O-NE1 3.37Å |
| 882 | S | 66.3 | Low | 58.6 | Low | 60 Ų | 60 | 76.8 Ų | 76.8 | 42% | 0.42 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 148.9 | 174 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | E884 L885 W886 | S882-E884 PolarHBondContact O-N 2.78Å; S882-L885 PolarHBondContact O-N 2.99Å; S882-W886 PolarHBondContact O-NE1 2.93Å |
| 883 | P | 68.7 | Low | 60.8 | Low | 25 Ų | 25 | 70.7 Ų | 70.7 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -59 | -21.1 | -175.5 | -27.4 | 36.1 | 0 | 0 | 0 | 115.6 | L885 W886 W888 F922 | P883-L885 VanDerWaalsContact C-N 3.26Å; P883-L885 PolarHBondContact O-N 3.11Å; P883-W886 HydrophobicContact CB-CD2 4.5Å; P883-W886 HydrophobicContact CG-CZ2 4.4Å; P883-W888 HydrophobicContact CB-CZ2 4.33Å; P883-W888 PolarHBondContact O-NE1 2.86Å; P883-F922 HydrophobicContact CB-CD2 4.31Å; P883-F922 HydrophobicContact CB-CE2 3.9Å; P883-F922 HydrophobicContact CB-CZ 4.37Å; P883-F922 HydrophobicContact CG-CD2 3.8Å; P883-F922 HydrophobicContact CG-CE2 3.79Å |
| 884 | E | 66.5 | Low | 63.3 | Low | 146 Ų | 146 | 65.7 Ų | 65.7 | 68% | 0.682 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -73.9 | -15.7 | 176.6 | -57.7 | -172.6 | 140.3 | 0 | 0 | 113.3 | S882 | S882-E884 PolarHBondContact O-N 2.78Š|
| 885 | L | 69.4 | Low | 65.6 | Low | 106 Ų | 106 | 56.7 Ų | 56.7 | 56% | 0.555 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -100.3 | 3 | 178.9 | -62.4 | 175.8 | 0 | 0 | 0 | 113.3 | N857 K881 S882 P883 | N857-L885 WeakPolarHBondContact CB-O 3.26Å; K881-L885 HydrophobicContact CB-CB 4.33Å; S882-L885 PolarHBondContact O-N 2.99Å; P883-L885 VanDerWaalsContact C-N 3.26Å; P883-L885 PolarHBondContact O-N 3.11Å |
| 886 | W | 80.8 | Confident | 67.4 | Low | 18 Ų | 18 | 55.8 Ų | 55.8 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -81.7 | 146.2 | -178.7 | -63.6 | 6.5 | 0 | 0 | 0 | 111.5 | V858 K881 S882 P883 W888 L891 V919 F922 | V858-W886 HydrophobicContact CG1-CH2 4.45Å; V858-W886 HydrophobicContact CG1-CZ2 3.97Å; V858-W886 HydrophobicContact CG2-CB 4.5Å; V858-W886 HydrophobicContact CG2-CD2 3.69Å; V858-W886 HydrophobicContact CG2-CE3 3.99Å; V858-W886 HydrophobicContact CG2-CG 3.91Å; V858-W886 HydrophobicContact CG2-CZ2 4.47Å; K881-W886 PolarHBondContact O-NE1 3.37Å; S882-W886 PolarHBondContact O-NE1 2.93Å; P883-W886 HydrophobicContact CB-CD2 4.5Å; P883-W886 HydrophobicContact CG-CZ2 4.4Å; W886-W888 HydrophobicContact CB-CZ2 4.25Å; W886-W888 HydrophobicContact CD2-CZ2 4.12Å; W886-W888 AromaticContact CE3-CH2 3.52Å; W886-W888 HydrophobicContact CE3-CH2 3.52Å; W886-W888 AromaticContact CE3-CZ2 3.43Å; W886-W888 HydrophobicContact CE3-CZ2 3.43Å; W886-W888 VanDerWaalsContact CE3-CZ2 3.43Å; W886-W888 HydrophobicContact CE3-CZ3 4.41Å; W886-W888 HydrophobicContact CG-CZ2 4.5Å; W886-W888 AromaticContact CZ3-CH2 3.85Å; W886-W888 HydrophobicContact CZ3-CH2 3.85Å; W886-W888 HydrophobicContact CZ3-CZ2 4.11Å; W886-W888 PolarHBondContact O-N 3.06Å; W886-L891 HydrophobicContact CB-CD1 3.9Å; W886-L891 HydrophobicContact CD2-CD1 4.38Å; W886-L891 HydrophobicContact CE3-CD1 3.75Å; W886-V919 HydrophobicContact CH2-CG2 4.43Å; W886-V919 HydrophobicContact CZ3-CG2 4.31Å; W886-F922 HydrophobicContact CH2-CB 4.16Å; W886-F922 HydrophobicContact CH2-CG 4.36Å; W886-F922 HydrophobicContact CZ3-CD1 4.36Å |
| 887 | N | 80.1 | Confident | 69.1 | Low | 56 Ų | 56 | 55 Ų | 55 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | trans | -82.1 | 82.5 | 177.1 | -168.5 | -23.2 | 0 | 0 | 0 | 111 | S856 N889 I890 L891 | S856-N887 PolarHBondContact O-N 3.15Å; N887-N889 PolarHBondContact O-N 3.45Å; N887-N889 VanDerWaalsContact O-N 3.16Å; N887-N889 PolarHBondContact OD1-N 2.97Å; N887-I890 HydrophobicContact CB-CB 4.38Å; N887-I890 WeakPolarHBondContact ND2-CD1 3.49Å; N887-I890 PolarHBondContact O-N 2.75Å; N887-I890 VanDerWaalsContact O-N 3.12Å; N887-I890 PolarHBondContact OD1-N 2.82Å; N887-L891 WeakPolarHBondContact O-CG 3.43Å; N887-L891 PolarHBondContact O-N 2.78Å | ||
| 888 | W | 77 | Confident | 70.6 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -24.1 | -176.3 | -70.7 | 101 | 0 | 0 | 0 | 114.7 | P883 W886 L891 T892 F922 W1044 H1046 A1049 A1050 | P883-W888 HydrophobicContact CB-CZ2 4.33Å; P883-W888 PolarHBondContact O-NE1 2.86Å; W886-W888 HydrophobicContact CB-CZ2 4.25Å; W886-W888 HydrophobicContact CD2-CZ2 4.12Å; W886-W888 AromaticContact CE3-CH2 3.52Å; W886-W888 HydrophobicContact CE3-CH2 3.52Å; W886-W888 AromaticContact CE3-CZ2 3.43Å; W886-W888 HydrophobicContact CE3-CZ2 3.43Å; W886-W888 VanDerWaalsContact CE3-CZ2 3.43Å; W886-W888 HydrophobicContact CE3-CZ3 4.41Å; W886-W888 HydrophobicContact CG-CZ2 4.5Å; W886-W888 AromaticContact CZ3-CH2 3.85Å; W886-W888 HydrophobicContact CZ3-CH2 3.85Å; W886-W888 HydrophobicContact CZ3-CZ2 4.11Å; W886-W888 PolarHBondContact O-N 3.06Å; W888-L891 HydrophobicContact CD2-CD1 4.23Å; W888-L891 HydrophobicContact CE3-CB 4.35Å; W888-L891 HydrophobicContact CE3-CD1 3.98Å; W888-L891 HydrophobicContact CH2-CD1 4.41Å; W888-L891 HydrophobicContact CZ3-CD1 4.07Å; W888-T892 WeakPolarHBondContact O-CB 3.36Å; W888-T892 PolarHBondContact O-N 2.91Å; W888-T892 PolarHBondContact O-OG1 2.72Å; W888-F922 HydrophobicContact CH2-CD1 4.44Å; W888-F922 AromaticContact CH2-CE1 3.84Å; W888-F922 HydrophobicContact CH2-CE1 3.84Å; W888-F922 HydrophobicContact CH2-CZ 4.38Å; W888-F922 HydrophobicContact CZ2-CE1 4.47Å; W888-W1044 AromaticContact CE2-CH2 3.84Å; W888-W1044 HydrophobicContact CH2-CH2 4.13Å; W888-W1044 AromaticContact CZ2-CH2 3.59Å; W888-W1044 HydrophobicContact CZ2-CH2 3.59Å; W888-W1044 HydrophobicContact CZ2-CZ2 4.29Å; W888-H1046 HydrophobicContact CB-CB 4.12Å; W888-H1046 AromaticContact CD1-CD2 3.24Å; W888-H1046 AromaticContact CD1-CG 3.3Å; W888-H1046 AromaticContact CD1-ND1 3.83Å; W888-H1046 AromaticContact CD1-NE2 3.77Å; W888-H1046 HydrophobicContact CD2-CB 3.83Å; W888-H1046 HydrophobicContact CG-CB 3.59Å; W888-H1046 AromaticContact CG-CD2 3.94Å; W888-H1046 AromaticContact CG-CG 3.51Å; W888-H1046 AromaticContact CG-ND1 3.9Å; W888-H1046 AromaticContact NE1-CD2 3.66Å; W888-H1046 AromaticContact NE1-CG 3.91Å; W888-A1049 HydrophobicContact CB-CB 4.2Å; W888-A1049 HydrophobicContact CE3-CB 4.45Å; W888-A1050 HydrophobicContact CE3-CB 4.19Å; W888-A1050 HydrophobicContact CH2-CB 4.07Å; W888-A1050 HydrophobicContact CZ3-CB 3.6Å |
| 889 | N | 70.2 | Confident | 71.4 | Confident | 101 Ų | 101 | 51.8 Ų | 51.8 | 54% | 0.54 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.7 | -46.5 | 174.4 | -71.7 | -4.3 | 0 | 0 | 0 | 111.2 | N887 T892 S893 | N887-N889 PolarHBondContact O-N 3.45Å; N887-N889 VanDerWaalsContact O-N 3.16Å; N887-N889 PolarHBondContact OD1-N 2.97Å; N889-T892 PolarHBondContact O-N 2.84Å; N889-S893 PolarHBondContact O-N 3.39Å; N889-S893 PolarHBondContact O-OG 2.92Å |
| 890 | I | 74.3 | Confident | 71.9 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 18% | 0.179 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 176.4 | -64.6 | -176.2 | 0 | 0 | 0 | 110.6 | L852 L855 N887 T892 S893 L894 | L852-I890 HydrophobicContact CD2-CG2 3.89Å; L855-I890 HydrophobicContact CB-CD1 3.65Å; N887-I890 HydrophobicContact CB-CB 4.38Å; N887-I890 WeakPolarHBondContact ND2-CD1 3.49Å; N887-I890 PolarHBondContact O-N 2.75Å; N887-I890 VanDerWaalsContact O-N 3.12Å; N887-I890 PolarHBondContact OD1-N 2.82Å; I890-T892 VanDerWaalsContact C-N 3.31Å; I890-T892 PolarHBondContact O-N 2.8Å; I890-S893 WeakPolarHBondContact CA-OG 3.26Å; I890-S893 PolarHBondContact O-N 2.7Å; I890-S893 PolarHBondContact O-OG 3.19Å; I890-L894 WeakPolarHBondContact O-CB 3.43Å; I890-L894 PolarHBondContact O-N 3.05Å |
| 891 | L | 78.1 | Confident | 72.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 174.6 | -71.9 | 178 | 0 | 0 | 0 | 112.5 | V858 W886 N887 W888 G895 F915 L1053 | V858-L891 HydrophobicContact CG2-CD1 4.31Å; V858-L891 HydrophobicContact CG2-CD2 4.36Å; W886-L891 HydrophobicContact CB-CD1 3.9Å; W886-L891 HydrophobicContact CD2-CD1 4.38Å; W886-L891 HydrophobicContact CE3-CD1 3.75Å; N887-L891 WeakPolarHBondContact O-CG 3.43Å; N887-L891 PolarHBondContact O-N 2.78Å; W888-L891 HydrophobicContact CD2-CD1 4.23Å; W888-L891 HydrophobicContact CE3-CB 4.35Å; W888-L891 HydrophobicContact CE3-CD1 3.98Å; W888-L891 HydrophobicContact CH2-CD1 4.41Å; W888-L891 HydrophobicContact CZ3-CD1 4.07Å; L891-G895 PolarHBondContact O-N 2.66Å; L891-F915 HydrophobicContact CD2-CE2 4.16Å; L891-F915 HydrophobicContact CD2-CZ 3.86Å; L891-L1053 HydrophobicContact CB-CD1 3.65Å; L891-L1053 HydrophobicContact CD1-CD1 4.43Å; L891-L1053 HydrophobicContact CD2-CD1 3.8Å; L891-L1053 HydrophobicContact CG-CD1 4.16Å |
| 892 | T | 72.8 | Confident | 71.8 | Confident | 10 Ų | 10 | 57 Ų | 57 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 173.3 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | W888 N889 I890 G895 R896 A1049 I1052 | W888-T892 WeakPolarHBondContact O-CB 3.36Å; W888-T892 PolarHBondContact O-N 2.91Å; W888-T892 PolarHBondContact O-OG1 2.72Å; N889-T892 PolarHBondContact O-N 2.84Å; I890-T892 VanDerWaalsContact C-N 3.31Å; I890-T892 PolarHBondContact O-N 2.8Å; T892-G895 PolarHBondContact O-N 2.79Å; T892-R896 WeakPolarHBondContact O-CG 3.38Å; T892-R896 PolarHBondContact O-N 3.04Å; T892-A1049 WeakPolarHBondContact OG1-CA 3.33Å; T892-A1049 VanDerWaalsContact OG1-CB 3.23Å; T892-A1049 WeakPolarHBondContact OG1-CB 3.45Å; T892-I1052 HydrophobicContact CG2-CB 4.19Å; T892-I1052 HydrophobicContact CG2-CD1 4.09Å; T892-I1052 HydrophobicContact CG2-CG2 3.87Å |
| 893 | S | 72.2 | Confident | 71.4 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 43% | 0.427 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 175.4 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | N889 I890 R896 H897 | N889-S893 PolarHBondContact O-N 3.39Å; N889-S893 PolarHBondContact O-OG 2.92Å; I890-S893 WeakPolarHBondContact CA-OG 3.26Å; I890-S893 PolarHBondContact O-N 2.7Å; I890-S893 PolarHBondContact O-OG 3.19Å; S893-R896 PolarHBondContact O-N 2.7Å; S893-H897 WeakPolarHBondContact O-CB 3.4Å; S893-H897 PolarHBondContact O-N 2.99Å |
| 894 | L | 78.7 | Confident | 71.1 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60 | -51.3 | 172.1 | 177.7 | 64.9 | 0 | 0 | 0 | 110.1 | L849 L852 I890 R896 H897 L898 F915 | L849-L894 HydrophobicContact CD1-CD1 4.47Å; L852-L894 HydrophobicContact CD1-CD1 4.21Å; I890-L894 WeakPolarHBondContact O-CB 3.43Å; I890-L894 PolarHBondContact O-N 3.05Å; L894-R896 PolarHBondContact O-N 3.25Å; L894-H897 PolarHBondContact O-N 3.19Å; L894-H897 VanDerWaalsContact O-N 3.07Å; L894-L898 HydrophobicContact CD1-CD1 4.2Å; L894-L898 HydrophobicContact CD1-CD2 4.32Å; L894-L898 HydrophobicContact CD1-CG 4.02Å; L894-L898 HydrophobicContact CG-CD1 3.95Å; L894-L898 HydrophobicContact CG-CG 4.18Å; L894-L898 WeakPolarHBondContact O-CB 3.21Å; L894-L898 VanDerWaalsContact O-CG 3.3Å; L894-L898 WeakPolarHBondContact O-CG 3.36Å; L894-L898 PolarHBondContact O-N 3.33Å; L894-F915 HydrophobicContact CD2-CE1 4.12Å; L894-F915 HydrophobicContact CD2-CZ 3.96Å |
| 895 | G | 73.2 | Confident | 71.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.6 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L891 T892 H897 L898 A899 G1056 | L891-G895 PolarHBondContact O-N 2.66Å; T892-G895 PolarHBondContact O-N 2.79Å; G895-H897 VanDerWaalsContact C-N 3.29Å; G895-H897 PolarHBondContact O-N 3.09Å; G895-L898 PolarHBondContact O-N 2.91Å; G895-A899 WeakPolarHBondContact O-CB 3.21Å; G895-A899 PolarHBondContact O-N 3.15Å; G895-A899 VanDerWaalsContact O-N 3.09Å; G895-G1056 WeakPolarHBondContact O-CA 3.47Å |
| 896 | R | 73.2 | Confident | 70.7 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 36% | 0.362 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -33.6 | 175.9 | -73.8 | 177.2 | 173.6 | 146.7 | -1.3 | 112.9 | E818 T892 S893 L894 I1052 | E818-R896 IonicContact OE1-CZ 3.11Å; E818-R896 IonicContact OE1-NE 3.55Å; E818-R896 PolarHBondContact OE1-NE 3.43Å; E818-R896 IonicContact OE1-NH2 2.94Å; E818-R896 PolarHBondContact OE1-NH2 2.84Å; E818-R896 IonicContact OE2-CZ 2.67Å; E818-R896 IonicContact OE2-NE 3.58Å; E818-R896 IonicContact OE2-NH2 3.39Å; E818-R896 PolarHBondContact OE2-NH2 3.11Å; T892-R896 WeakPolarHBondContact O-CG 3.38Å; T892-R896 PolarHBondContact O-N 3.04Å; S893-R896 PolarHBondContact O-N 2.7Å; L894-R896 PolarHBondContact O-N 3.25Å; R896-I1052 HydrophobicContact CG-CG2 3.71Å |
| 897 | H | 72.4 | Confident | 70.1 | Confident | 77 Ų | 77 | 52.1 Ų | 52.1 | 36% | 0.356 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -77.8 | -45.1 | 177.5 | -164.9 | 90.5 | 0 | 0 | 0 | 111.9 | L844 S893 L894 G895 A899 V900 T901 | L844-H897 WeakPolarHBondContact CD1-NE2 3.3Å; S893-H897 WeakPolarHBondContact O-CB 3.4Å; S893-H897 PolarHBondContact O-N 2.99Å; L894-H897 PolarHBondContact O-N 3.19Å; L894-H897 VanDerWaalsContact O-N 3.07Å; G895-H897 VanDerWaalsContact C-N 3.29Å; G895-H897 PolarHBondContact O-N 3.09Å; H897-A899 PolarHBondContact O-N 3.03Å; H897-V900 PolarHBondContact O-N 3.47Å; H897-T901 WeakPolarHBondContact CD2-CG2 3.49Å; H897-T901 VanDerWaalsContact NE2-CG2 3.32Å; H897-T901 WeakPolarHBondContact NE2-CG2 3.3Å; H897-T901 PolarHBondContact O-N 2.95Å; H897-T901 PolarHBondContact O-OG1 3.17Å |
| 898 | L | 72.3 | Confident | 69.3 | Low | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55 | -37.7 | 175.5 | -71.7 | -179.3 | 0 | 0 | 0 | 112.5 | L894 G895 V900 T901 F905 L1057 H1060 | L894-L898 HydrophobicContact CD1-CD1 4.2Å; L894-L898 HydrophobicContact CD1-CD2 4.32Å; L894-L898 HydrophobicContact CD1-CG 4.02Å; L894-L898 HydrophobicContact CG-CD1 3.95Å; L894-L898 HydrophobicContact CG-CG 4.18Å; L894-L898 WeakPolarHBondContact O-CB 3.21Å; L894-L898 VanDerWaalsContact O-CG 3.3Å; L894-L898 WeakPolarHBondContact O-CG 3.36Å; L894-L898 PolarHBondContact O-N 3.33Å; G895-L898 PolarHBondContact O-N 2.91Å; L898-V900 PolarHBondContact O-N 3.35Å; L898-T901 WeakPolarHBondContact CA-OG1 3.39Å; L898-T901 PolarHBondContact O-OG1 3.42Å; L898-F905 HydrophobicContact CD2-CD2 4.24Å; L898-F905 HydrophobicContact CD2-CE2 3.6Å; L898-L1057 HydrophobicContact CD1-CB 4.32Å; L898-L1057 HydrophobicContact CD1-CD1 3.89Å; L898-H1060 HydrophobicContact CB-CB 4.18Å |
| 899 | A | 70.1 | Confident | 69 | Low | 53 Ų | 53 | 59.7 Ų | 59.7 | 44% | 0.438 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G895 H897 | G895-A899 WeakPolarHBondContact O-CB 3.21Å; G895-A899 PolarHBondContact O-N 3.15Å; G895-A899 VanDerWaalsContact O-N 3.09Å; H897-A899 PolarHBondContact O-N 3.03Å |
| 900 | V | 65.6 | Low | 69 | Low | 109 Ų | 109 | 62.5 Ų | 62.5 | 66% | 0.661 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -33.8 | -178.9 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | H897 L898 R902 | H897-V900 PolarHBondContact O-N 3.47Å; L898-V900 PolarHBondContact O-N 3.35Å; V900-R902 PolarHBondContact O-N 3.2Å |
| 901 | T | 65.1 | Low | 69 | Low | 28 Ų | 28 | 61.6 Ų | 61.6 | 17% | 0.172 | 32% | 0.324 | C | S | . | . | trans | -68 | 119.8 | 178.3 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | H897 L898 F905 H1060 | H897-T901 WeakPolarHBondContact CD2-CG2 3.49Å; H897-T901 VanDerWaalsContact NE2-CG2 3.32Å; H897-T901 WeakPolarHBondContact NE2-CG2 3.3Å; H897-T901 PolarHBondContact O-N 2.95Å; H897-T901 PolarHBondContact O-OG1 3.17Å; L898-T901 WeakPolarHBondContact CA-OG1 3.39Å; L898-T901 PolarHBondContact O-OG1 3.42Å; T901-F905 HydrophobicContact CG2-CZ 4.46Å; T901-H1060 PolarHBondContact O-CD2 3.17Å | ||
| 902 | R | 60.3 | Low | 69 | Low | 193 Ų | 193 | 61.7 Ų | 61.7 | 73% | 0.728 | 33% | 0.325 | S | S | * | . | trans | -92.8 | 7.3 | 173.5 | -63.4 | -177.8 | 177.1 | -175.7 | -4 | 114.1 | V900 | V900-R902 PolarHBondContact O-N 3.2Š| ||
| 903 | C | 58.2 | Low | 69.4 | Low | 96 Ų | 96 | 62.6 Ų | 62.6 | 65% | 0.649 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -103.6 | 145 | -178.4 | -60 | 0 | 0 | 0 | 0 | 111.1 | H1060 | C903-H1060 PolarHBondContact O-NE2 3.18Š|
| 904 | T | 62.1 | Low | 69.6 | Low | 81 Ų | 81 | 63.2 Ų | 63.2 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 124.1 | 179.2 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | Y1064 | T904-Y1064 WeakPolarHBondContact CA-OH 3.45Å; T904-Y1064 HydrophobicContact CG2-CD1 4.07Å; T904-Y1064 HydrophobicContact CG2-CD2 4.1Å; T904-Y1064 HydrophobicContact CG2-CE1 3.81Å; T904-Y1064 HydrophobicContact CG2-CE2 3.85Å; T904-Y1064 HydrophobicContact CG2-CG 4.21Å |
| 905 | F | 67.5 | Low | 69.9 | Low | 19 Ų | 19 | 62.9 Ų | 62.9 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 155.2 | 169.9 | -58.4 | -61.2 | 0 | 0 | 0 | 112.9 | L844 L849 L898 T901 W907 H1060 Y1064 | L844-F905 HydrophobicContact CB-CD1 4.36Å; L844-F905 HydrophobicContact CB-CE1 3.41Å; L844-F905 VanDerWaalsContact CB-CE1 3.41Å; L844-F905 HydrophobicContact CB-CZ 3.93Å; L844-F905 HydrophobicContact CD2-CE1 4.46Å; L844-F905 HydrophobicContact CD2-CZ 4.46Å; L849-F905 HydrophobicContact CD2-CB 4.12Å; L849-F905 HydrophobicContact CD2-CG 4.25Å; L898-F905 HydrophobicContact CD2-CD2 4.24Å; L898-F905 HydrophobicContact CD2-CE2 3.6Å; T901-F905 HydrophobicContact CG2-CZ 4.46Å; F905-W907 PolarHBondContact O-N 3.33Å; F905-H1060 AromaticContact CD2-CE1 3.41Å; F905-H1060 VanDerWaalsContact CD2-CE1 3.41Å; F905-H1060 WeakPolarHBondContact CD2-CE1 3.38Å; F905-H1060 AromaticContact CD2-NE2 3.81Å; F905-H1060 AromaticContact CE2-CE1 3.63Å; F905-H1060 AromaticContact CE2-NE2 3.58Å; F905-Y1064 PolarHBondContact N-OH 3.47Å; F905-Y1064 PolarHBondContact O-OH 3.46Å; F905-Y1064 VanDerWaalsContact O-OH 3.06Å |
| 906 | S | 60.9 | Low | 70.3 | Confident | 48 Ų | 48 | 63 Ų | 63 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | trans | -79.6 | 87.4 | 173.4 | 81.8 | 0 | 0 | 0 | 0 | 110.1 | D846 E908 H912 | D846-S906 PolarHBondContact OD1-N 2.88Å; D846-S906 PolarHBondContact OD1-OG 3.38Å; D846-S906 PolarHBondContact OD2-OG 3.17Å; S906-E908 PolarHBondContact O-N 3.11Å; S906-H912 PolarHBondContact O-CE1 3.39Å; S906-H912 PolarHBondContact O-ND1 3.27Å | ||
| 907 | W | 68.4 | Low | 70.8 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 3% | 0.034 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -9.1 | 175.9 | -70.5 | 103.3 | 0 | 0 | 0 | 113.2 | L849 F905 S909 H912 M913 F915 L916 Y1064 P1070 | L849-W907 HydrophobicContact CD2-CH2 4.36Å; L849-W907 HydrophobicContact CD2-CZ3 4.48Å; F905-W907 PolarHBondContact O-N 3.33Å; W907-S909 PolarHBondContact O-N 2.87Å; W907-H912 HydrophobicContact CE3-CB 3.78Å; W907-H912 HydrophobicContact CZ3-CB 4.27Å; W907-M913 HydrophobicContact CB-SD 3.76Å; W907-M913 WeakPolarHBondContact O-CG 3.47Å; W907-F915 HydrophobicContact CH2-CD1 4.45Å; W907-F915 HydrophobicContact CZ3-CD1 4.21Å; W907-L916 HydrophobicContact CD2-CD2 4.01Å; W907-L916 HydrophobicContact CE3-CB 3.8Å; W907-L916 HydrophobicContact CE3-CD2 4.04Å; W907-L916 HydrophobicContact CE3-CG 4.38Å; W907-L916 HydrophobicContact CG-CD2 4.36Å; W907-L916 HydrophobicContact CH2-CB 4.47Å; W907-L916 HydrophobicContact CH2-CD1 4.32Å; W907-L916 HydrophobicContact CZ2-CD1 4.48Å; W907-L916 HydrophobicContact CZ3-CB 3.75Å; W907-L916 HydrophobicContact CZ3-CD1 4.41Å; W907-L916 HydrophobicContact CZ3-CG 4.46Å; W907-Y1064 AromaticContact CD1-CE1 3.7Å; W907-Y1064 AromaticContact CD1-CZ 3.5Å; W907-Y1064 VanDerWaalsContact CD1-CZ 3.5Å; W907-Y1064 AromaticContact NE1-CZ 3.53Å; W907-Y1064 PolarHBondContact NE1-OH 2.98Å; W907-P1070 HydrophobicContact CB-CG 3.83Å; W907-P1070 HydrophobicContact CG-CG 3.92Å |
| 908 | E | 63.2 | Low | 71.2 | Confident | 186 Ų | 186 | 59.4 Ų | 59.4 | 87% | 0.869 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -21.3 | -177.7 | -57.2 | -174.7 | 175.9 | 0 | 0 | 114.5 | S906 | S906-E908 PolarHBondContact O-N 3.11Š|
| 909 | S | 69.8 | Low | 71.7 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -62.7 | 134.3 | 174.6 | 135 | 0 | 0 | 0 | 0 | 112.1 | W907 S911 H912 M913 | W907-S909 PolarHBondContact O-N 2.87Å; S909-S911 PolarHBondContact O-N 3.14Å; S909-S911 PolarHBondContact OG-N 3.18Å; S909-S911 PolarHBondContact OG-OG 3.02Å; S909-H912 WeakPolarHBondContact O-CB 3.48Å; S909-H912 PolarHBondContact O-N 3.28Å; S909-H912 WeakPolarHBondContact OG-CB 3.26Å; S909-H912 PolarHBondContact OG-CD2 3.09Å; S909-H912 VanDerWaalsContact OG-CD2 3.32Å; S909-H912 PolarHBondContact OG-N 3.47Å; S909-H912 VanDerWaalsContact OG-N 3.11Å; S909-M913 PolarHBondContact O-N 3.48Å |
| 910 | K | 71.6 | Confident | 72.4 | Confident | 160 Ų | 160 | 56.6 Ų | 56.6 | 70% | 0.696 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16 | -177.3 | -163.4 | 167.3 | -174.4 | 168.1 | 0 | 113.5 | K914 | K910-K914 VanDerWaalsContact O-CG 3.3Å; K910-K914 WeakPolarHBondContact O-CG 3.36Å |
| 911 | S | 72.3 | Confident | 73.1 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -44.3 | 166 | 42.5 | 0 | 0 | 0 | 0 | 110.8 | S909 K914 F915 | S909-S911 PolarHBondContact O-N 3.14Å; S909-S911 PolarHBondContact OG-N 3.18Å; S909-S911 PolarHBondContact OG-OG 3.02Å; S911-K914 PolarHBondContact O-N 2.88Å; S911-F915 PolarHBondContact O-N 3.35Å |
| 912 | H | 78.6 | Confident | 73.9 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -53.4 | 179.3 | -67.2 | -179.2 | 0 | 0 | 0 | 112.1 | D846 D850 I853 S906 W907 S909 K914 F915 L916 | D846-H912 WeakPolarHBondContact CA-NE2 3.4Å; D846-H912 WeakPolarHBondContact CB-NE2 3.41Å; D846-H912 PolarHBondContact O-NE2 2.84Å; D846-H912 IonicContact OD1-CE1 2.72Å; D846-H912 IonicContact OD1-NE2 3.65Å; D846-H912 PolarHBondContact OD1-NE2 2.67Å; D850-H912 IonicContact OD1-CD2 2.94Å; I853-H912 VanDerWaalsContact CD1-CD2 3.46Å; I853-H912 WeakPolarHBondContact CD1-CD2 3.3Å; S906-H912 PolarHBondContact O-CE1 3.39Å; S906-H912 PolarHBondContact O-ND1 3.27Å; W907-H912 HydrophobicContact CE3-CB 3.78Å; W907-H912 HydrophobicContact CZ3-CB 4.27Å; S909-H912 WeakPolarHBondContact O-CB 3.48Å; S909-H912 PolarHBondContact O-N 3.28Å; S909-H912 WeakPolarHBondContact OG-CB 3.26Å; S909-H912 PolarHBondContact OG-CD2 3.09Å; S909-H912 VanDerWaalsContact OG-CD2 3.32Å; S909-H912 PolarHBondContact OG-N 3.47Å; S909-H912 VanDerWaalsContact OG-N 3.11Å; H912-K914 PolarHBondContact O-N 3.07Å; H912-F915 PolarHBondContact O-N 3.22Å; H912-L916 PolarHBondContact O-N 3.47Å |
| 913 | M | 80.8 | Confident | 74.8 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 14% | 0.143 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.9 | -32.5 | 175.9 | -78.3 | -43.3 | -64 | 0 | 0 | 113.1 | W907 S909 L916 K917 E1069 P1070 Y1073 | W907-M913 HydrophobicContact CB-SD 3.76Å; W907-M913 WeakPolarHBondContact O-CG 3.47Å; S909-M913 PolarHBondContact O-N 3.48Å; M913-L916 HydrophobicContact CE-CD2 4.12Å; M913-L916 HydrophobicContact SD-CD2 4.22Å; M913-K917 WeakPolarHBondContact O-CB 3.47Å; M913-K917 PolarHBondContact O-N 3.18Å; M913-E1069 HydrophobicContact CE-CB 3.76Å; M913-E1069 WeakPolarHBondContact CE-OE2 3.39Å; M913-P1070 HydrophobicContact SD-CG 4.33Å; M913-Y1073 HydrophobicContact CE-CD2 4.19Å; M913-Y1073 HydrophobicContact CE-CE2 3.62Å |
| 914 | K | 77.9 | Confident | 75.8 | Confident | 74 Ų | 74 | 41 Ų | 41 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -71.4 | -39.3 | 176.9 | -82.8 | -172.1 | 171.2 | -163.3 | 0 | 112.8 | L859 Y878 K910 S911 H912 A918 | L859-K914 HydrophobicContact CD1-CB 4.31Å; L859-K914 HydrophobicContact CD2-CB 4.41Å; Y878-K914 HydrophobicContact CD2-CD 4.03Å; Y878-K914 HydrophobicContact CG-CD 4.09Å; K910-K914 VanDerWaalsContact O-CG 3.3Å; K910-K914 WeakPolarHBondContact O-CG 3.36Å; S911-K914 PolarHBondContact O-N 2.88Å; H912-K914 PolarHBondContact O-N 3.07Å; K914-A918 WeakPolarHBondContact O-CB 3.13Å; K914-A918 PolarHBondContact O-N 2.99Å |
| 915 | F | 83.7 | Confident | 76 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -50.8 | 171.8 | 174.2 | -94 | 0 | 0 | 0 | 110.7 | I853 V858 L859 L891 L894 W907 S911 H912 K917 A918 V919 | I853-F915 HydrophobicContact CB-CD2 4.33Å; I853-F915 HydrophobicContact CD1-CB 3.94Å; I853-F915 HydrophobicContact CD1-CD1 4.07Å; I853-F915 HydrophobicContact CD1-CG 3.93Å; I853-F915 HydrophobicContact CG1-CB 4.16Å; I853-F915 HydrophobicContact CG1-CD1 3.96Å; I853-F915 HydrophobicContact CG1-CD2 3.82Å; I853-F915 HydrophobicContact CG1-CE1 4.29Å; I853-F915 HydrophobicContact CG1-CE2 4.15Å; I853-F915 HydrophobicContact CG1-CG 3.71Å; I853-F915 HydrophobicContact CG1-CZ 4.38Å; I853-F915 HydrophobicContact CG2-CB 4.17Å; I853-F915 HydrophobicContact CG2-CD2 3.97Å; I853-F915 HydrophobicContact CG2-CG 4.25Å; V858-F915 HydrophobicContact CB-CD2 3.89Å; V858-F915 HydrophobicContact CB-CE2 3.93Å; V858-F915 HydrophobicContact CG1-CD2 4Å; V858-F915 HydrophobicContact CG1-CE2 4.32Å; V858-F915 HydrophobicContact CG2-CD2 4.19Å; V858-F915 HydrophobicContact CG2-CE2 3.71Å; L859-F915 HydrophobicContact CD1-CB 4.25Å; L891-F915 HydrophobicContact CD2-CE2 4.16Å; L891-F915 HydrophobicContact CD2-CZ 3.86Å; L894-F915 HydrophobicContact CD2-CE1 4.12Å; L894-F915 HydrophobicContact CD2-CZ 3.96Å; W907-F915 HydrophobicContact CH2-CD1 4.45Å; W907-F915 HydrophobicContact CZ3-CD1 4.21Å; S911-F915 PolarHBondContact O-N 3.35Å; H912-F915 PolarHBondContact O-N 3.22Å; F915-K917 VanDerWaalsContact C-N 3.34Å; F915-K917 PolarHBondContact O-N 3.09Å; F915-A918 PolarHBondContact O-N 3.08Å; F915-V919 HydrophobicContact CE1-CG2 4.21Å; F915-V919 HydrophobicContact CE2-CG2 4.27Å; F915-V919 HydrophobicContact CZ-CG2 4.08Å; F915-V919 WeakPolarHBondContact O-CG2 3.23Å; F915-V919 PolarHBondContact O-N 3.21Å |
| 916 | L | 82.8 | Confident | 75.6 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.2 | -47.2 | 178.3 | -176.7 | 62.5 | 0 | 0 | 0 | 111.4 | W907 H912 M913 V919 M920 L1057 L1061 P1070 | W907-L916 HydrophobicContact CD2-CD2 4.01Å; W907-L916 HydrophobicContact CE3-CB 3.8Å; W907-L916 HydrophobicContact CE3-CD2 4.04Å; W907-L916 HydrophobicContact CE3-CG 4.38Å; W907-L916 HydrophobicContact CG-CD2 4.36Å; W907-L916 HydrophobicContact CH2-CB 4.47Å; W907-L916 HydrophobicContact CH2-CD1 4.32Å; W907-L916 HydrophobicContact CZ2-CD1 4.48Å; W907-L916 HydrophobicContact CZ3-CB 3.75Å; W907-L916 HydrophobicContact CZ3-CD1 4.41Å; W907-L916 HydrophobicContact CZ3-CG 4.46Å; H912-L916 PolarHBondContact O-N 3.47Å; M913-L916 HydrophobicContact CE-CD2 4.12Å; M913-L916 HydrophobicContact SD-CD2 4.22Å; L916-V919 PolarHBondContact O-N 2.94Å; L916-M920 HydrophobicContact CD1-CG 3.99Å; L916-M920 HydrophobicContact CG-CG 4.28Å; L916-M920 WeakPolarHBondContact O-CB 3.47Å; L916-M920 VanDerWaalsContact O-CG 3.26Å; L916-M920 WeakPolarHBondContact O-CG 3.47Å; L916-M920 PolarHBondContact O-N 3.23Å; L916-L1057 HydrophobicContact CD1-CD1 4.01Å; L916-L1057 HydrophobicContact CD1-CD2 4.3Å; L916-L1061 HydrophobicContact CD1-CD1 4.34Å; L916-L1061 HydrophobicContact CD1-CD2 4.25Å; L916-L1061 HydrophobicContact CD2-CD2 4.34Å; L916-P1070 HydrophobicContact CD2-CB 3.91Å; L916-P1070 HydrophobicContact CD2-CG 4.12Å |
| 917 | K | 83.4 | Confident | 74.8 | Confident | 85 Ų | 85 | 41.6 Ų | 41.6 | 37% | 0.37 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59 | -48.3 | 176.9 | -179.7 | 174.2 | 178.7 | 172 | 0 | 112.1 | M913 F915 V919 M920 E921 Y1073 | M913-K917 WeakPolarHBondContact O-CB 3.47Å; M913-K917 PolarHBondContact O-N 3.18Å; F915-K917 VanDerWaalsContact C-N 3.34Å; F915-K917 PolarHBondContact O-N 3.09Å; K917-V919 VanDerWaalsContact C-N 3.29Å; K917-V919 PolarHBondContact O-N 3.06Å; K917-M920 PolarHBondContact O-N 2.96Å; K917-E921 WeakPolarHBondContact CE-OE1 3.05Å; K917-E921 WeakPolarHBondContact CE-OE2 3.34Å; K917-E921 HydrophobicContact CG-CG 4.19Å; K917-E921 IonicContact NZ-OE1 3.52Å; K917-E921 PolarHBondContact NZ-OE1 2.88Å; K917-E921 WeakPolarHBondContact O-CB 3.35Å; K917-E921 WeakPolarHBondContact O-CG 3.49Å; K917-E921 PolarHBondContact O-N 3.48Å; K917-Y1073 HydrophobicContact CB-CE1 4.44Å; K917-Y1073 HydrophobicContact CG-CE1 4.16Å |
| 918 | A | 81.2 | Confident | 73.4 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.1 | -36.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V858 T880 K914 F915 | V858-A918 HydrophobicContact CG1-CB 4.01Å; T880-A918 HydrophobicContact CG2-CB 3.67Å; K914-A918 WeakPolarHBondContact O-CB 3.13Å; K914-A918 PolarHBondContact O-N 2.99Å; F915-A918 PolarHBondContact O-N 3.08Å |
| 919 | V | 82.8 | Confident | 72.1 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.8 | -42.5 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | W886 F915 L916 K917 F922 L923 L1053 L1057 | W886-V919 HydrophobicContact CH2-CG2 4.43Å; W886-V919 HydrophobicContact CZ3-CG2 4.31Å; F915-V919 HydrophobicContact CE1-CG2 4.21Å; F915-V919 HydrophobicContact CE2-CG2 4.27Å; F915-V919 HydrophobicContact CZ-CG2 4.08Å; F915-V919 WeakPolarHBondContact O-CG2 3.23Å; F915-V919 PolarHBondContact O-N 3.21Å; L916-V919 PolarHBondContact O-N 2.94Å; K917-V919 VanDerWaalsContact C-N 3.29Å; K917-V919 PolarHBondContact O-N 3.06Å; V919-F922 WeakPolarHBondContact O-CB 3.41Å; V919-F922 PolarHBondContact O-N 3.43Å; V919-L923 HydrophobicContact CG1-CD1 4.12Å; V919-L923 WeakPolarHBondContact O-CG 3.29Å; V919-L923 PolarHBondContact O-N 3.18Å; V919-L1053 HydrophobicContact CG1-CD2 3.75Å; V919-L1057 HydrophobicContact CB-CD2 4.49Å; V919-L1057 HydrophobicContact CG1-CD2 3.57Å |
| 920 | M | 83.5 | Confident | 70.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.1 | -35.2 | 179.6 | -66.1 | -63.9 | -81 | 0 | 0 | 112.4 | L916 K917 F922 L923 I924 L1057 L1061 Y1073 F1077 | L916-M920 HydrophobicContact CD1-CG 3.99Å; L916-M920 HydrophobicContact CG-CG 4.28Å; L916-M920 WeakPolarHBondContact O-CB 3.47Å; L916-M920 VanDerWaalsContact O-CG 3.26Å; L916-M920 WeakPolarHBondContact O-CG 3.47Å; L916-M920 PolarHBondContact O-N 3.23Å; K917-M920 PolarHBondContact O-N 2.96Å; M920-F922 PolarHBondContact O-N 3.4Å; M920-L923 PolarHBondContact O-N 2.97Å; M920-L923 HydrophobicContact SD-CD1 4.36Å; M920-I924 HydrophobicContact CB-CD1 4.19Å; M920-I924 VanDerWaalsContact O-CG1 3.25Å; M920-I924 WeakPolarHBondContact O-CG1 3.36Å; M920-I924 PolarHBondContact O-N 3.41Å; M920-L1057 HydrophobicContact SD-CD2 3.92Å; M920-L1057 HydrophobicContact SD-CG 4.48Å; M920-L1061 HydrophobicContact CE-CD1 3.66Å; M920-L1061 HydrophobicContact SD-CD1 3.86Å; M920-Y1073 HydrophobicContact CB-CD1 4.07Å; M920-Y1073 HydrophobicContact CB-CG 4.43Å; M920-Y1073 WeakPolarHBondContact CE-O 3.26Å; M920-F1077 HydrophobicContact CE-CB 4.45Å |
| 921 | E | 81.1 | Confident | 68 | Low | 84 Ų | 84 | 47.9 Ų | 47.9 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.4 | -19.8 | 172.9 | -73.2 | -177.3 | 152.9 | 0 | 0 | 113.1 | K917 | K917-E921 WeakPolarHBondContact CE-OE1 3.05Å; K917-E921 WeakPolarHBondContact CE-OE2 3.34Å; K917-E921 HydrophobicContact CG-CG 4.19Å; K917-E921 IonicContact NZ-OE1 3.52Å; K917-E921 PolarHBondContact NZ-OE1 2.88Å; K917-E921 WeakPolarHBondContact O-CB 3.35Å; K917-E921 WeakPolarHBondContact O-CG 3.49Å; K917-E921 PolarHBondContact O-N 3.48Å |
| 922 | F | 82.3 | Confident | 65.7 | Low | 11 Ų | 11 | 49.7 Ų | 49.7 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -81 | -26.7 | 169.6 | 176.4 | -106.8 | 0 | 0 | 0 | 113.2 | P883 W886 W888 V919 M920 F1035 L1037 L1040 W1044 | P883-F922 HydrophobicContact CB-CD2 4.31Å; P883-F922 HydrophobicContact CB-CE2 3.9Å; P883-F922 HydrophobicContact CB-CZ 4.37Å; P883-F922 HydrophobicContact CG-CD2 3.8Å; P883-F922 HydrophobicContact CG-CE2 3.79Å; W886-F922 HydrophobicContact CH2-CB 4.16Å; W886-F922 HydrophobicContact CH2-CG 4.36Å; W886-F922 HydrophobicContact CZ3-CD1 4.36Å; W888-F922 HydrophobicContact CH2-CD1 4.44Å; W888-F922 AromaticContact CH2-CE1 3.84Å; W888-F922 HydrophobicContact CH2-CE1 3.84Å; W888-F922 HydrophobicContact CH2-CZ 4.38Å; W888-F922 HydrophobicContact CZ2-CE1 4.47Å; V919-F922 WeakPolarHBondContact O-CB 3.41Å; V919-F922 PolarHBondContact O-N 3.43Å; M920-F922 PolarHBondContact O-N 3.4Å; F922-F1035 VanDerWaalsContact CD2-O 3.27Å; F922-F1035 WeakPolarHBondContact CD2-O 3.39Å; F922-L1037 HydrophobicContact CD1-CB 4.31Å; F922-L1037 HydrophobicContact CE1-CB 3.89Å; F922-L1037 HydrophobicContact CE1-CD1 4.11Å; F922-L1037 HydrophobicContact CE1-CD2 4.44Å; F922-L1037 HydrophobicContact CE1-CG 4.36Å; F922-L1037 HydrophobicContact CE2-CB 4.41Å; F922-L1037 HydrophobicContact CZ-CB 3.94Å; F922-L1037 HydrophobicContact CZ-CD1 4Å; F922-L1037 WeakPolarHBondContact O-CB 3.48Å; F922-L1037 PolarHBondContact O-N 3.09Å; F922-L1040 HydrophobicContact CE2-CD1 4.03Å; F922-L1040 HydrophobicContact CZ-CD1 3.89Å; F922-W1044 AromaticContact CZ-CH2 3.95Å; F922-W1044 HydrophobicContact CZ-CH2 3.95Å; F922-W1044 HydrophobicContact CZ-CZ3 4.33Å |
| 923 | L | 79.2 | Confident | 63.2 | Low | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -97 | -31.8 | -174.5 | -66.6 | 176.6 | 0 | 0 | 0 | 114.8 | V919 M920 P925 L1037 L1053 A1054 L1057 | V919-L923 HydrophobicContact CG1-CD1 4.12Å; V919-L923 WeakPolarHBondContact O-CG 3.29Å; V919-L923 PolarHBondContact O-N 3.18Å; M920-L923 PolarHBondContact O-N 2.97Å; M920-L923 HydrophobicContact SD-CD1 4.36Å; L923-P925 WeakPolarHBondContact O-CD 3.14Å; L923-L1037 HydrophobicContact CD2-CD2 3.56Å; L923-L1053 HydrophobicContact CD1-CD2 4.16Å; L923-A1054 HydrophobicContact CD1-CB 4.15Å; L923-A1054 HydrophobicContact CD2-CB 3.88Å; L923-L1057 HydrophobicContact CD1-CD2 4.42Å |
| 924 | I | 78.2 | Confident | 60.4 | Low | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -74.4 | 121.5 | -177.8 | -64.7 | 163.3 | 0 | 0 | 0 | 109.8 | M920 D926 N1036 Y1073 R1076 F1077 A1080 | M920-I924 HydrophobicContact CB-CD1 4.19Å; M920-I924 VanDerWaalsContact O-CG1 3.25Å; M920-I924 WeakPolarHBondContact O-CG1 3.36Å; M920-I924 PolarHBondContact O-N 3.41Å; I924-D926 HydrophobicContact CG2-CB 4.17Å; I924-D926 PolarHBondContact O-N 3.44Å; I924-N1036 PolarHBondContact O-ND2 2.78Å; I924-Y1073 HydrophobicContact CD1-CD1 4.49Å; I924-R1076 HydrophobicContact CD1-CB 4.49Å; I924-R1076 HydrophobicContact CD1-CG 4.27Å; I924-R1076 HydrophobicContact CG2-CG 4.32Å; I924-F1077 HydrophobicContact CG1-CB 3.96Å; I924-F1077 HydrophobicContact CG1-CD2 4.18Å; I924-A1080 HydrophobicContact CG2-CB 4.12Å |
| 925 | P | 66.9 | Low | 57.9 | Low | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.045 | 35% | 0.345 | C | S | . | . | trans | -77 | 80.3 | 179.6 | 32.2 | -35.2 | 0 | 0 | 0 | 111.8 | L923 A1038 A1080 F1135 | L923-P925 WeakPolarHBondContact O-CD 3.14Å; P925-A1038 HydrophobicContact CB-CB 4.4Å; P925-A1080 HydrophobicContact CG-CB 4.25Å; P925-F1135 HydrophobicContact CB-CE2 4.34Å; P925-F1135 HydrophobicContact CG-CE2 4.47Å | ||
| 926 | D | 58.5 | Low | 55.1 | Low | 50 Ų | 50 | 67.1 Ų | 67.1 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | trans | -106.5 | 156.4 | -172.2 | -145 | -40.4 | 0 | 0 | 0 | 114.2 | I924 R1076 | I924-D926 HydrophobicContact CG2-CB 4.17Å; I924-D926 PolarHBondContact O-N 3.44Å; D926-R1076 IonicContact OD2-CZ 3.75Å; D926-R1076 VanDerWaalsContact OD2-CZ 3.31Å; D926-R1076 IonicContact OD2-NE 2.73Å; D926-R1076 PolarHBondContact OD2-NE 3.34Å; D926-R1076 VanDerWaalsContact OD2-NE 3.12Å; D926-R1076 IonicContact OD2-NH2 2.86Å; D926-R1076 PolarHBondContact OD2-NH2 2.99Å | ||
| 927 | Q | 44 | Very low | 52.3 | Low | 103 Ų | 103 | 76.6 Ų | 76.6 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -82.1 | -18.1 | -171 | -65.5 | -171.1 | -2.1 | 0 | 0 | 114.8 | C929 M1131 | Q927-C929 VanDerWaalsContact C-N 3.26Å; Q927-C929 PolarHBondContact O-N 3.38Å; Q927-C929 VanDerWaalsContact O-N 3.14Å; Q927-M1131 HydrophobicContact CG-CG 4.28Å; Q927-M1131 HydrophobicContact CG-SD 3.73Å |
| 928 | T | 39.3 | Very low | 49.5 | Very low | 94 Ų | 94 | 79.4 Ų | 79.4 | 58% | 0.577 | 45% | 0.446 | S | S | * | . | trans | -75.5 | -4.1 | -160.8 | 53.6 | 0 | 0 | 0 | 0 | 115.8 | R930 | T928-R930 PolarHBondContact O-N 3.3Š| ||
| 929 | C | 36.3 | Very low | 46.7 | Very low | 77 Ų | 77 | 87.3 Ų | 87.3 | 52% | 0.52 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -74.2 | 33.4 | 179.7 | -64.5 | 0 | 0 | 0 | 0 | 115 | Q927 | Q927-C929 VanDerWaalsContact C-N 3.26Å; Q927-C929 PolarHBondContact O-N 3.38Å; Q927-C929 VanDerWaalsContact O-N 3.14Å |
| 930 | R | 30.7 | Very low | 43.9 | Very low | 209 Ų | 209 | 96.9 Ų | 96.9 | 79% | 0.789 | 52% | 0.522 | S | S | * | . | trans | -164.3 | 75.3 | 168.4 | -113 | 176.5 | -163.7 | -155.6 | 4 | 113.3 | T928 | T928-R930 PolarHBondContact O-N 3.3Š| ||
| 931 | T | 23.7 | Very low | 41.1 | Very low | 141 Ų | 141 | 102 Ų | 102 | 87% | 0.865 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -113.5 | 68.4 | 163.2 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 932 | G | 24.6 | Very low | 38.2 | Very low | 52 Ų | 52 | 104.2 Ų | 104.2 | 54% | 0.536 | 58% | 0.576 | S | S | . | * | S | Bend | trans | 165.9 | 145.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 933 | V | 26.3 | Very low | 35.4 | Very low | 132 Ų | 132 | 110.2 Ų | 110.2 | 80% | 0.8 | 61% | 0.609 | S | S | * | * | trans | 66.5 | 89 | -166.7 | -170.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 934 | S | 23 | Very low | 32.8 | Very low | 91 Ų | 91 | 116 Ų | 116 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | trans | -67.8 | 173.4 | 150 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 935 | D | 23.7 | Very low | 30.3 | Very low | 141 Ų | 141 | 123.1 Ų | 123.1 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | 66.1 | 68.4 | 164.8 | -52 | -58.7 | 0 | 0 | 0 | 117 | ||||
| 936 | C | 26.6 | Very low | 28.2 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | trans | -128.1 | 105.3 | 149.5 | -77.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 937 | K | 24.2 | Very low | 26.6 | Very low | 200 Ų | 200 | 129.6 Ų | 129.6 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | trans | -69.2 | 147.8 | 179.2 | -70.2 | -176.9 | 178.7 | 179.7 | 0 | 111.1 | E939 | K937-E939 PolarHBondContact O-N 3.1Š| ||
| 938 | T | 23.7 | Very low | 25.5 | Very low | 144 Ų | 144 | 130 Ų | 130 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | trans | -77.1 | 109 | -179.1 | 49.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 939 | E | 23 | Very low | 24.8 | Very low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -122.2 | 165.7 | 164.4 | -67.9 | -155.2 | 149.7 | 0 | 0 | 112.6 | K937 C941 | K937-E939 PolarHBondContact O-N 3.1Å; E939-C941 PolarHBondContact O-N 3.03Å; E939-C941 VanDerWaalsContact O-N 3.13Å | ||
| 940 | K | 22.8 | Very low | 24.1 | Very low | 202 Ų | 202 | 132.8 Ų | 132.8 | 88% | 0.878 | 76% | 0.756 | S | S | * | * | trans | -76.6 | 98 | -155.1 | -61.6 | 162.6 | -175.2 | 164.1 | 0 | 113.2 | T942 | K940-T942 PolarHBondContact O-N 3.48Å; K940-T942 VanDerWaalsContact O-N 3.14Å | ||
| 941 | C | 24.8 | Very low | 23.6 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | -86 | 68.6 | 171.9 | -69.9 | 0 | 0 | 0 | 0 | 113.2 | E939 N943 | E939-C941 PolarHBondContact O-N 3.03Å; E939-C941 VanDerWaalsContact O-N 3.13Å; C941-N943 PolarHBondContact O-N 3.29Å; C941-N943 VanDerWaalsContact O-N 3.14Å | ||
| 942 | T | 21.3 | Very low | 23.5 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -81.6 | 67.8 | 159.1 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | K940 | K940-T942 PolarHBondContact O-N 3.48Å; K940-T942 VanDerWaalsContact O-N 3.14Å | ||
| 943 | N | 22.7 | Very low | 23.4 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -168.4 | 140.6 | 162.6 | -96.1 | -32.6 | 0 | 0 | 0 | 108.8 | C941 I945 | C941-N943 PolarHBondContact O-N 3.29Å; C941-N943 VanDerWaalsContact O-N 3.14Å; N943-I945 PolarHBondContact O-N 3.4Å |
| 944 | P | 25.2 | Very low | 23.3 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -68.7 | 125.2 | 170.1 | 29.6 | -32.1 | 0 | 0 | 0 | 109.1 | S946 | P944-S946 PolarHBondContact O-N 3.46Å; P944-S946 VanDerWaalsContact O-N 3.09Å | ||
| 945 | I | 24.4 | Very low | 23.2 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -64.6 | 113.6 | 174 | -65.6 | 173.1 | 0 | 0 | 0 | 107.9 | N943 | N943-I945 PolarHBondContact O-N 3.4Š| ||
| 946 | S | 22.8 | Very low | 23.2 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -57.8 | 133.3 | 167.1 | 51.2 | 0 | 0 | 0 | 0 | 109.2 | P944 | P944-S946 PolarHBondContact O-N 3.46Å; P944-S946 VanDerWaalsContact O-N 3.09Å | ||
| 947 | P | 24.6 | Very low | 23 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | -57.9 | 143.9 | 172 | 27.2 | -34.5 | 0 | 0 | 0 | 109.2 | V949 | P947-V949 PolarHBondContact O-N 3.2Š| ||
| 948 | P | 22.9 | Very low | 23 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -63.5 | 112.9 | 179.2 | 26.6 | -33.6 | 0 | 0 | 0 | 109.2 | V950 | P948-V950 HydrophobicContact CB-CG2 4.24Å; P948-V950 PolarHBondContact O-N 3.07Å | ||
| 949 | V | 22.7 | Very low | 23 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -76.1 | 80.2 | 177.3 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | P947 Y951 | P947-V949 PolarHBondContact O-N 3.2Å; V949-Y951 HydrophobicContact CG1-CD2 3.37Å; V949-Y951 HydrophobicContact CG1-CE2 3.66Å; V949-Y951 HydrophobicContact CG1-CG 4.28Å; V949-Y951 PolarHBondContact O-N 3.5Å | ||
| 950 | V | 21.5 | Very low | 23 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | trans | -79.5 | 73.7 | 174.5 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | P948 S952 | P948-V950 HydrophobicContact CB-CG2 4.24Å; P948-V950 PolarHBondContact O-N 3.07Å; V950-S952 PolarHBondContact O-N 3Å | ||
| 951 | Y | 22 | Very low | 23.2 | Very low | 219 Ų | 219 | 132.7 Ų | 132.7 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -74.5 | 97 | 161.8 | -87.6 | -60.9 | 0 | 0 | 0 | 109.1 | V949 | V949-Y951 HydrophobicContact CG1-CD2 3.37Å; V949-Y951 HydrophobicContact CG1-CE2 3.66Å; V949-Y951 HydrophobicContact CG1-CG 4.28Å; V949-Y951 PolarHBondContact O-N 3.5Å | ||
| 952 | S | 20.9 | Very low | 23.1 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -149.7 | 52.6 | 171.2 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | V950 | V950-S952 PolarHBondContact O-N 3Š| ||
| 953 | I | 23.3 | Very low | 23.3 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -85.2 | 120.8 | 153.3 | -62.9 | 178.1 | 0 | 0 | 0 | 106.3 | S955 | I953-S955 PolarHBondContact O-N 3.43Š| ||
| 954 | P | 22.6 | Very low | 23.4 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -76.1 | 109.4 | -177 | 29.9 | -33.3 | 0 | 0 | 0 | 111.4 | K956 | P954-K956 PolarHBondContact O-N 2.92Š| ||
| 955 | S | 20.4 | Very low | 23.3 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -73.7 | 110 | 167.2 | 44.8 | 0 | 0 | 0 | 0 | 110.5 | I953 | I953-S955 PolarHBondContact O-N 3.43Š| ||
| 956 | K | 24.4 | Very low | 23.4 | Very low | 204 Ų | 204 | 133.9 Ų | 133.9 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -125.7 | 126.2 | 151.5 | -97.2 | -166 | 172.2 | -171.1 | 0 | 109.9 | P954 | P954-K956 PolarHBondContact O-N 2.92Š| ||
| 957 | S | 22 | Very low | 23.4 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -61 | 142.4 | 171.9 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 958 | M | 25.4 | Very low | 23.3 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -143.8 | 118.9 | 136.9 | -138.4 | 150.6 | 78.5 | 0 | 0 | 111.3 | ||||
| 959 | Q | 23.6 | Very low | 23.4 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -64.4 | 164 | 156.6 | -68.1 | 156.2 | -54.4 | 0 | 0 | 108.8 | ||||
| 960 | S | 22.6 | Very low | 23.5 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | cis | -177.7 | 143.3 | -14 | 46.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 961 | S | 27.2 | Very low | 23.5 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -161.4 | 141.5 | 161 | -55.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 962 | D | 22.2 | Very low | 23.6 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -98.7 | 164.4 | -172.5 | -52.4 | -82.4 | 0 | 0 | 0 | 113.4 | ||||
| 963 | G | 26.4 | Very low | 23.8 | Very low | 80 Ų | 80 | 138 Ų | 138 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -177.5 | 70 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 964 | L | 24.1 | Very low | 23.7 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | trans | -28.7 | 129.2 | 175.1 | -67.3 | 156.6 | 0 | 0 | 0 | 119 | ||||
| 965 | L | 23.6 | Very low | 23.7 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | 49.3 | 164.8 | 128.8 | -65.4 | 175.4 | 0 | 0 | 0 | 122 | |||||
| 966 | P | 26.2 | Very low | 23.9 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | cis | -114.5 | -168.2 | -5 | 39.7 | -26.6 | 0 | 0 | 0 | 113.5 | ||||
| 967 | V | 22.9 | Very low | 23.8 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -109.1 | 128.7 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 968 | D | 22.3 | Very low | 23.8 | Very low | 163 Ų | 163 | 142 Ų | 142 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -150.2 | 156.6 | 158.7 | -126.2 | -36 | 0 | 0 | 0 | 111.3 | ||||
| 969 | G | 25.4 | Very low | 23.7 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 56.3 | 70.9 | 165 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 970 | L | 24.9 | Very low | 23.6 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -128.2 | 60.2 | 164.8 | -141.4 | 165.4 | 0 | 0 | 0 | 112.5 | ||||
| 971 | L | 21.3 | Very low | 23.6 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -126.8 | 53.1 | 169.6 | -160.6 | 95.4 | 0 | 0 | 0 | 110.5 | ||
| 972 | N | 23.1 | Very low | 23.3 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -157.8 | 166.5 | 174 | -104 | -33.8 | 0 | 0 | 0 | 110.7 | ||||
| 973 | A | 26.5 | Very low | 23.3 | Very low | 85 Ų | 85 | 146.5 Ų | 146.5 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | trans | 62.6 | 71.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 974 | I | 20.9 | Very low | 23.1 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 96% | 0.964 | 81% | 0.809 | S | S | * | * | trans | -99.9 | 88.3 | 134.3 | -60.4 | -179.9 | 0 | 0 | 0 | 106.8 | ||||
| 975 | S | 21.8 | Very low | 22.9 | Very low | 83 Ų | 83 | 149 Ų | 149 | 58% | 0.58 | 80% | 0.798 | S | S | * | * | trans | -150.4 | 166.5 | 168.6 | 67 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 976 | D | 24.3 | Very low | 22.9 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 64.2 | 56.1 | 161.4 | -49.8 | -52.9 | 0 | 0 | 0 | 117.8 | R978 | D976-R978 VanDerWaalsContact C-N 3.32Å; D976-R978 PolarHBondContact O-N 3.45Å; D976-R978 VanDerWaalsContact O-N 3.13Å | ||
| 977 | N | 23.1 | Very low | 22.7 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -83.8 | 71.3 | 164.5 | -158.6 | 5 | 0 | 0 | 0 | 111.6 | ||||
| 978 | R | 21.1 | Very low | 22.7 | Very low | 217 Ų | 217 | 147.1 Ų | 147.1 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | -139.8 | 141.2 | 165.1 | -78.2 | -166.8 | 173.4 | 171 | 0.1 | 111.5 | D976 | D976-R978 VanDerWaalsContact C-N 3.32Å; D976-R978 PolarHBondContact O-N 3.45Å; D976-R978 VanDerWaalsContact O-N 3.13Å | ||
| 979 | N | 22.9 | Very low | 22.7 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 63.8 | 86.5 | 174 | -53.6 | -19.9 | 0 | 0 | 0 | 116.4 | ||||
| 980 | F | 22.3 | Very low | 22.6 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | -161.4 | 104.1 | 121 | -115.8 | -72.6 | 0 | 0 | 0 | 112 | |||||
| 981 | M | 21.9 | Very low | 22.5 | Very low | 178 Ų | 178 | 149 Ų | 149 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -153.2 | 92 | 163.6 | -111.2 | -64.1 | 178.7 | 0 | 0 | 109.3 | ||||
| 982 | L | 22 | Very low | 22.7 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 155.6 | 79.1 | 143.7 | -85.1 | 167.1 | 0 | 0 | 0 | 111.7 | ||||
| 983 | Q | 21.7 | Very low | 22.9 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -144.5 | 88.4 | 144.3 | -161 | 170.7 | 19.5 | 0 | 0 | 110.7 | ||||
| 984 | N | 22.4 | Very low | 22.7 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | -180 | 117.2 | 128.2 | -90.6 | -25.1 | 0 | 0 | 0 | 109.8 | |||||
| 985 | F | 20.6 | Very low | 22.9 | Very low | 136 Ų | 136 | 144 Ų | 144 | 60% | 0.596 | 74% | 0.735 | S | S | * | * | trans | -144.7 | 130.1 | 178.1 | -135.7 | -18.5 | 0 | 0 | 0 | 109.9 | S863 | S863-F985 WeakPolarHBondContact OG-CE2 3.5Š| ||
| 986 | I | 23.6 | Very low | 23 | Very low | 87 Ų | 87 | 149 Ų | 149 | 45% | 0.446 | 74% | 0.741 | S | S | . | * | trans | 74.5 | 101.6 | 150.1 | -82.1 | 162.7 | 0 | 0 | 0 | 119.2 | ||||
| 987 | T | 21.9 | Very low | 23 | Very low | 103 Ų | 103 | 147 Ų | 147 | 63% | 0.632 | 73% | 0.73 | S | S | * | * | trans | 55.4 | 140.5 | 130.8 | 69.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 988 | L | 23.5 | Very low | 23.1 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | -149.1 | 114 | 111.5 | -90.8 | 165.2 | 0 | 0 | 0 | 106.3 | |||||
| 989 | N | 21.6 | Very low | 23.3 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | 66.3 | 107.2 | 84.9 | -78.1 | -0.1 | 0 | 0 | 0 | 116 | |||||
| 990 | T | 23.3 | Very low | 23.4 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 87% | 0.865 | 71% | 0.707 | S | S | * | * | trans | -135.7 | 131.6 | 139.8 | 48.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 991 | H | 22 | Very low | 23.4 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.806 | 69% | 0.689 | S | S | * | * | trans | -108.5 | 145 | 160.5 | -85.9 | 6.3 | 0 | 0 | 0 | 107.7 | ||||
| 992 | D | 26.7 | Very low | 23.5 | Very low | 134 Ų | 134 | 135 Ų | 135 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | 169.9 | 133.7 | 119.2 | -96.8 | 6.6 | 0 | 0 | 0 | 113 | |||||
| 993 | N | 25.9 | Very low | 23.6 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 67% | 0.673 | S | S | * | * | trans | 61.6 | 156 | 134.9 | -60.3 | -30.7 | 0 | 0 | 0 | 120.9 | ||||
| 994 | I | 24.2 | Very low | 23.8 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 67% | 0.672 | 66% | 0.664 | S | S | * | * | cis | -155.3 | 165.6 | -32.6 | -117.6 | 165.9 | 0 | 0 | 0 | 108.7 | ||||
| 995 | D | 24.7 | Very low | 23.9 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 54% | 0.54 | 65% | 0.654 | S | S | . | * | trans | 26.2 | 128.8 | 166.5 | -80.5 | -54.3 | 0 | 0 | 0 | 125.2 | R2070 | D995-R2070 PolarHBondContact O-NH2 2.9Š| ||
| 996 | R | 23.7 | Very low | 24.2 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | 46.3 | 156.5 | 123.4 | -63.2 | 170.9 | -172.5 | -139.7 | -5.1 | 124.1 | R2070 | R996-R2070 VanDerWaalsContact C-NH1 3.25Å; R996-R2070 PolarHBondContact O-NH1 3.13Å | |||
| 997 | L | 23.8 | Very low | 24.2 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 53% | 0.534 | 67% | 0.671 | S | S | . | * | trans | 77 | 155.1 | 165.2 | -44.1 | -172.5 | 0 | 0 | 0 | 116.1 | R2070 | L997-R2070 WeakPolarHBondContact O-CD 3.47Å; L997-R2070 PolarHBondContact O-NH1 3.15Å | ||
| 998 | L | 25.8 | Very low | 24.4 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | cis | -154.8 | 140.9 | -40.4 | -110.5 | 174.9 | 0 | 0 | 0 | 106.6 | ||||
| 999 | V | 24 | Very low | 24.6 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 55% | 0.552 | 67% | 0.67 | S | S | * | * | trans | 9.5 | 116.2 | 136.2 | 179.5 | 0 | 0 | 0 | 0 | 117.1 | S1001 | V999-S1001 WeakPolarHBondContact CG1-OG 3.5Š| ||
| 1000 | H | 25.5 | Very low | 24.8 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 84% | 0.838 | 68% | 0.677 | S | S | * | * | -148.8 | 132.6 | 111.7 | -94.9 | 67 | 0 | 0 | 0 | 105 | |||||
| 1001 | S | 23.3 | Very low | 24.9 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 49% | 0.49 | 67% | 0.667 | S | S | . | * | cis | 56 | 111.8 | 20.6 | 90.8 | 0 | 0 | 0 | 0 | 112.2 | V999 | V999-S1001 WeakPolarHBondContact CG1-OG 3.5Š| ||
| 1002 | R | 23.8 | Very low | 25 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 73% | 0.732 | 67% | 0.667 | S | S | * | * | -169 | 147.2 | 68.6 | -114 | -176.3 | 145.9 | 154.6 | -6 | 110.2 | |||||
| 1003 | E | 23.8 | Very low | 25 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 56% | 0.561 | 66% | 0.662 | S | S | * | * | 63.4 | 151.6 | 104.5 | -95.7 | 170.5 | -131.2 | 0 | 0 | 114.5 | |||||
| 1004 | K | 25.3 | Very low | 25 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 60% | 0.6 | 66% | 0.664 | S | S | * | * | cis | -173.8 | 162.9 | 39.8 | -139.9 | -177.5 | -177.2 | 88.3 | 0 | 113.7 | ||||
| 1005 | N | 24.2 | Very low | 25.1 | Very low | 116 Ų | 116 | 126 Ų | 126 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | trans | 66.3 | 156.2 | 154.5 | -66.1 | -10.7 | 0 | 0 | 0 | 118.7 | ||||
| 1006 | I | 28.6 | Very low | 25.2 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | cis | -117.1 | 142.1 | 3.5 | -60.5 | 168.2 | 0 | 0 | 0 | 109.4 | ||||
| 1007 | S | 23.7 | Very low | 25.3 | Very low | 88 Ų | 88 | 125.5 Ų | 125.5 | 62% | 0.615 | 68% | 0.676 | S | S | * | * | cis | 102.8 | 38 | 3 | 96.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1008 | E | 25.6 | Very low | 25.5 | Very low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 69% | 0.69 | S | S | * | * | trans | -131.2 | 149.9 | 162.2 | -85.2 | -168.5 | -163.3 | 0 | 0 | 111.6 | ||||
| 1009 | S | 27.1 | Very low | 25.4 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | cis | -156.1 | 160.8 | -15.7 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1010 | N | 26 | Very low | 25.5 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | trans | 53.1 | 142.8 | 146 | -61.9 | -18.5 | 0 | 0 | 0 | 122.4 | ||||
| 1011 | A | 25.7 | Very low | 25.4 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 65% | 0.645 | 71% | 0.705 | S | S | * | * | cis | -162 | 164.2 | -13.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1012 | T | 23.1 | Very low | 25.3 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | trans | 9.9 | 145.2 | 150.1 | 60.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1013 | S | 26.7 | Very low | 25.4 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | cis | -160.4 | 147.5 | 46.1 | 61.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1014 | T | 25.7 | Very low | 25.3 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 45.5 | 141.7 | 135.2 | 60.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1015 | I | 27 | Very low | 25.2 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | cis | -167.2 | 161 | 3.1 | -119 | 170 | 0 | 0 | 0 | 106.7 | ||||
| 1016 | M | 27.7 | Very low | 25.1 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | cis | -147.7 | -154 | 7.6 | -146.2 | -152.5 | -77.7 | 0 | 0 | 111.9 | ||||
| 1017 | N | 24.7 | Very low | 24.9 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | trans | -83.2 | 170.6 | 173.6 | -71.5 | -37.9 | 0 | 0 | 0 | 112.1 | ||||
| 1018 | N | 28.4 | Very low | 24.8 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | cis | -134.4 | 141.3 | 28.7 | -71.5 | -68.1 | 0 | 0 | 0 | 115.4 | ||||
| 1019 | N | 22.6 | Very low | 24.8 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | -81.9 | 147.7 | 150 | -72.6 | -59.6 | 0 | 0 | 0 | 109.7 | ||||
| 1020 | S | 26.5 | Very low | 24.6 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -128.3 | 141.6 | 143.8 | 65.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1021 | N | 23.3 | Very low | 24.6 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -100.9 | 151.4 | -160.6 | -110.2 | -40.2 | 0 | 0 | 0 | 112.6 | ||||
| 1022 | T | 22.5 | Very low | 24.8 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | 48.5 | 119.9 | 149.4 | 58.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1023 | S | 24.4 | Very low | 25.4 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | -135.2 | 133.3 | 112.7 | 58.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1024 | R | 22.1 | Very low | 26.3 | Very low | 240 Ų | 240 | 135.6 Ų | 135.6 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | trans | -87 | 113.2 | 165.8 | -83.4 | 173.7 | 161.1 | 149 | -10.3 | 107.1 | ||||
| 1025 | S | 22.8 | Very low | 27.7 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 52% | 0.517 | 74% | 0.738 | S | S | . | * | trans | -104.3 | 118.3 | 160 | 44.4 | 0 | 0 | 0 | 0 | 108.9 | Y1027 | S1025-Y1027 VanDerWaalsContact C-N 3.32Å; S1025-Y1027 PolarHBondContact O-N 2.99Å; S1025-Y1027 WeakPolarHBondContact OG-CE2 3.12Å | ||
| 1026 | N | 22.4 | Very low | 29.7 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | trans | -75.5 | 85.3 | 176.2 | -72 | -19.4 | 0 | 0 | 0 | 109.2 | L1028 | N1026-L1028 PolarHBondContact O-N 2.88Š| ||
| 1027 | Y | 24.4 | Very low | 31.9 | Very low | 202 Ų | 202 | 123.2 Ų | 123.2 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | trans | -72.1 | 86.6 | 165.3 | -74.6 | -70.9 | 0 | 0 | 0 | 109.6 | S1025 I1029 | S1025-Y1027 VanDerWaalsContact C-N 3.32Å; S1025-Y1027 PolarHBondContact O-N 2.99Å; S1025-Y1027 WeakPolarHBondContact OG-CE2 3.12Å; Y1027-I1029 PolarHBondContact O-N 3.38Å | ||
| 1028 | L | 22.2 | Very low | 33.7 | Very low | 163 Ų | 163 | 117.2 Ų | 117.2 | 85% | 0.853 | 64% | 0.638 | S | S | * | * | trans | -55 | 103.6 | 159.7 | -77.9 | 161.5 | 0 | 0 | 0 | 108 | N1026 S1030 | N1026-L1028 PolarHBondContact O-N 2.88Å; L1028-S1030 PolarHBondContact O-N 3.04Å; L1028-S1030 VanDerWaalsContact O-N 3.11Å | ||
| 1029 | I | 25 | Very low | 35.5 | Very low | 162 Ų | 162 | 116.2 Ų | 116.2 | 83% | 0.831 | 62% | 0.623 | S | S | * | * | trans | -63.8 | 113.5 | 170.1 | -61.5 | 176.3 | 0 | 0 | 0 | 106.6 | Y1027 | Y1027-I1029 PolarHBondContact O-N 3.38Š| ||
| 1030 | S | 23 | Very low | 37.6 | Very low | 88 Ų | 88 | 110.8 Ų | 110.8 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | trans | -69.2 | 129.9 | 178.5 | 43.1 | 0 | 0 | 0 | 0 | 109.7 | L1028 N1032 | L1028-S1030 PolarHBondContact O-N 3.04Å; L1028-S1030 VanDerWaalsContact O-N 3.11Å; S1030-N1032 PolarHBondContact O-N 2.73Å | ||
| 1031 | P | 26.5 | Very low | 39.3 | Very low | 122 Ų | 122 | 107.4 Ų | 107.4 | 79% | 0.792 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 9.2 | -172.1 | 30 | -35.6 | 0 | 0 | 0 | 114.4 | ||
| 1032 | N | 30 | Very low | 41.3 | Very low | 132 Ų | 132 | 104.7 Ų | 104.7 | 71% | 0.706 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 28.5 | -168.9 | -66 | 15.4 | 0 | 0 | 0 | 113 | S1030 N1034 | S1030-N1032 PolarHBondContact O-N 2.73Å; N1032-N1034 PolarHBondContact O-N 3.4Å |
| 1033 | A | 34.5 | Very low | 43.1 | Very low | 66 Ų | 66 | 104.3 Ų | 104.3 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | trans | -75.2 | 97.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F1035 | A1033-F1035 HydrophobicContact CB-CE2 4.38Å; A1033-F1035 WeakPolarHBondContact O-CD2 3.35Å; A1033-F1035 PolarHBondContact O-N 2.96Å | ||
| 1034 | N | 45.8 | Very low | 45.1 | Very low | 114 Ų | 114 | 100.5 Ų | 100.5 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | trans | -64.5 | 100.7 | 179.8 | -77.1 | 1.2 | 0 | 0 | 0 | 110.9 | N1032 N1036 | N1032-N1034 PolarHBondContact O-N 3.4Å; N1034-N1036 PolarHBondContact O-N 2.73Å | ||
| 1035 | F | 55.2 | Low | 47 | Very low | 140 Ų | 140 | 91.5 Ų | 91.5 | 61% | 0.614 | 48% | 0.484 | S | S | * | . | trans | -73.6 | 122.6 | 173 | -70.3 | -82.7 | 0 | 0 | 0 | 110.5 | F922 A1033 L1040 | F922-F1035 VanDerWaalsContact CD2-O 3.27Å; F922-F1035 WeakPolarHBondContact CD2-O 3.39Å; A1033-F1035 HydrophobicContact CB-CE2 4.38Å; A1033-F1035 WeakPolarHBondContact O-CD2 3.35Å; A1033-F1035 PolarHBondContact O-N 2.96Å; F1035-L1040 HydrophobicContact CB-CD2 4.45Å | ||
| 1036 | N | 70 | Confident | 49.4 | Very low | 12 Ų | 12 | 90.4 Ų | 90.4 | 6% | 0.064 | 47% | 0.471 | C | S | . | . | trans | -95.1 | 141 | -179.5 | -179.6 | -57.8 | 0 | 0 | 0 | 110.5 | I924 N1034 A1038 W1039 | I924-N1036 PolarHBondContact O-ND2 2.78Å; N1034-N1036 PolarHBondContact O-N 2.73Å; N1036-A1038 PolarHBondContact O-N 2.94Å; N1036-A1038 VanDerWaalsContact O-N 3.11Å; N1036-A1038 WeakPolarHBondContact OD1-CB 3.42Å; N1036-A1038 PolarHBondContact OD1-N 3.5Å; N1036-W1039 PolarHBondContact O-N 2.8Å | ||
| 1037 | L | 73.1 | Confident | 51.7 | Low | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -52.6 | -37.3 | -176.8 | -179 | 61.2 | 0 | 0 | 0 | 112.9 | F922 L923 W1039 L1040 W1044 A1050 C1144 I1148 | F922-L1037 HydrophobicContact CD1-CB 4.31Å; F922-L1037 HydrophobicContact CE1-CB 3.89Å; F922-L1037 HydrophobicContact CE1-CD1 4.11Å; F922-L1037 HydrophobicContact CE1-CD2 4.44Å; F922-L1037 HydrophobicContact CE1-CG 4.36Å; F922-L1037 HydrophobicContact CE2-CB 4.41Å; F922-L1037 HydrophobicContact CZ-CB 3.94Å; F922-L1037 HydrophobicContact CZ-CD1 4Å; F922-L1037 WeakPolarHBondContact O-CB 3.48Å; F922-L1037 PolarHBondContact O-N 3.09Å; L923-L1037 HydrophobicContact CD2-CD2 3.56Å; L1037-W1039 PolarHBondContact O-N 3.24Å; L1037-W1039 VanDerWaalsContact O-N 3.09Å; L1037-L1040 HydrophobicContact CD1-CD1 4.23Å; L1037-L1040 PolarHBondContact O-N 3.16Å; L1037-W1044 HydrophobicContact CD1-CZ3 4.37Å; L1037-A1050 HydrophobicContact CD1-CB 4.27Å; L1037-C1144 HydrophobicContact CD1-CB 3.76Å; L1037-C1144 HydrophobicContact CG-CB 4.14Å; L1037-C1144 VanDerWaalsContact O-CB 3.31Å; L1037-C1144 WeakPolarHBondContact O-CB 3.49Å; L1037-I1148 HydrophobicContact CB-CD1 4.47Å; L1037-I1148 HydrophobicContact CD2-CG1 4.22Å |
| 1038 | A | 63.3 | Low | 53.9 | Low | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.008 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -59.2 | -24.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P925 N1036 T1134 I1148 | P925-A1038 HydrophobicContact CB-CB 4.4Å; N1036-A1038 PolarHBondContact O-N 2.94Å; N1036-A1038 VanDerWaalsContact O-N 3.11Å; N1036-A1038 WeakPolarHBondContact OD1-CB 3.42Å; N1036-A1038 PolarHBondContact OD1-N 3.5Å; A1038-T1134 HydrophobicContact CB-CG2 4.09Å; A1038-I1148 HydrophobicContact CB-CD1 3.65Å |
| 1039 | W | 66.7 | Low | 56.2 | Low | 132 Ų | 132 | 68.8 Ų | 68.8 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -100.1 | -9.2 | -175.9 | -65.7 | 83.4 | 0 | 0 | 0 | 113.6 | N1036 L1037 N1130 L1133 T1134 | N1036-W1039 PolarHBondContact O-N 2.8Å; L1037-W1039 PolarHBondContact O-N 3.24Å; L1037-W1039 VanDerWaalsContact O-N 3.09Å; W1039-N1130 HydrophobicContact CH2-CB 3.96Å; W1039-N1130 HydrophobicContact CZ2-CB 4.15Å; W1039-L1133 HydrophobicContact CH2-CB 4.49Å; W1039-T1134 HydrophobicContact CD2-CG2 3.87Å; W1039-T1134 VanDerWaalsContact CE2-CG2 3.41Å; W1039-T1134 HydrophobicContact CE3-CG2 4.46Å; W1039-T1134 HydrophobicContact CG-CG2 4.26Å; W1039-T1134 HydrophobicContact CH2-CG2 4.27Å; W1039-T1134 HydrophobicContact CZ2-CG2 3.64Å |
| 1040 | L | 66.5 | Low | 58.7 | Low | 29 Ų | 29 | 61.1 Ų | 61.1 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -72.8 | 146.1 | 174.7 | -63.5 | 178.5 | 0 | 0 | 0 | 110.5 | F922 F1035 L1037 W1044 S1143 C1144 | F922-L1040 HydrophobicContact CE2-CD1 4.03Å; F922-L1040 HydrophobicContact CZ-CD1 3.89Å; F1035-L1040 HydrophobicContact CB-CD2 4.45Å; L1037-L1040 HydrophobicContact CD1-CD1 4.23Å; L1037-L1040 PolarHBondContact O-N 3.16Å; L1040-W1044 HydrophobicContact CD1-CD2 3.85Å; L1040-W1044 HydrophobicContact CD1-CE3 3.86Å; L1040-W1044 HydrophobicContact CD1-CG 4.43Å; L1040-W1044 HydrophobicContact CD1-CH2 4.1Å; L1040-W1044 HydrophobicContact CD1-CZ2 4.1Å; L1040-W1044 HydrophobicContact CD1-CZ3 3.99Å; L1040-S1143 CarbonylContact O-C 3.59Å; L1040-S1143 WeakPolarHBondContact O-CA 3.44Å; L1040-C1144 PolarHBondContact O-N 3.43Å |
| 1041 | S | 61.3 | Low | 61.2 | Low | 55 Ų | 55 | 57 Ų | 57 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -75.1 | 145.3 | 172.7 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | N1043 W1044 K1142 | S1041-N1043 PolarHBondContact O-N 3.02Å; S1041-N1043 PolarHBondContact OG-N 3.17Å; S1041-W1044 WeakPolarHBondContact O-CB 3.38Å; S1041-W1044 PolarHBondContact O-N 3.38Å; S1041-K1142 CarbonylContact C-O 3.55Å; S1041-K1142 VanDerWaalsContact CA-O 3.29Å; S1041-K1142 WeakPolarHBondContact CA-O 3.47Å; S1041-K1142 PolarHBondContact OG-O 3.33Å |
| 1042 | Y | 65.3 | Low | 63.5 | Low | 79 Ų | 79 | 51.9 Ų | 51.9 | 31% | 0.31 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.8 | 175 | -158 | -95.4 | 0 | 0 | 0 | 113.2 | W1044 K1142 L1147 | Y1042-W1044 PolarHBondContact O-N 2.91Å; Y1042-K1142 PolarHBondContact N-O 3.49Å; Y1042-L1147 HydrophobicContact CE2-CD1 4.17Å; Y1042-L1147 HydrophobicContact CE2-CD2 4.22Å; Y1042-L1147 HydrophobicContact CE2-CG 4.16Å |
| 1043 | N | 60.8 | Low | 66 | Low | 116 Ų | 116 | 46 Ų | 46 | 62% | 0.62 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -6.4 | 174.2 | -66.9 | -7.5 | 0 | 0 | 0 | 114.2 | R668 S1041 | R668-N1043 VanDerWaalsContact CZ-O 3.31Å; R668-N1043 PolarHBondContact NE-O 3.41Å; R668-N1043 PolarHBondContact NH2-O 2.93Å; S1041-N1043 PolarHBondContact O-N 3.02Å; S1041-N1043 PolarHBondContact OG-N 3.17Å |
| 1044 | W | 65.9 | Low | 68.2 | Low | 35 Ų | 35 | 42.9 Ų | 42.9 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -65.7 | 134.8 | 178.1 | -175.8 | 70.2 | 0 | 0 | 0 | 110.8 | W888 F922 L1037 L1040 S1041 Y1042 H1046 A1047 A1050 | W888-W1044 AromaticContact CE2-CH2 3.84Å; W888-W1044 HydrophobicContact CH2-CH2 4.13Å; W888-W1044 AromaticContact CZ2-CH2 3.59Å; W888-W1044 HydrophobicContact CZ2-CH2 3.59Å; W888-W1044 HydrophobicContact CZ2-CZ2 4.29Å; F922-W1044 AromaticContact CZ-CH2 3.95Å; F922-W1044 HydrophobicContact CZ-CH2 3.95Å; F922-W1044 HydrophobicContact CZ-CZ3 4.33Å; L1037-W1044 HydrophobicContact CD1-CZ3 4.37Å; L1040-W1044 HydrophobicContact CD1-CD2 3.85Å; L1040-W1044 HydrophobicContact CD1-CE3 3.86Å; L1040-W1044 HydrophobicContact CD1-CG 4.43Å; L1040-W1044 HydrophobicContact CD1-CH2 4.1Å; L1040-W1044 HydrophobicContact CD1-CZ2 4.1Å; L1040-W1044 HydrophobicContact CD1-CZ3 3.99Å; S1041-W1044 WeakPolarHBondContact O-CB 3.38Å; S1041-W1044 PolarHBondContact O-N 3.38Å; Y1042-W1044 PolarHBondContact O-N 2.91Å; W1044-H1046 HydrophobicContact CD2-CB 4.43Å; W1044-H1046 HydrophobicContact CE3-CB 4.09Å; W1044-H1046 HydrophobicContact CH2-CB 3.85Å; W1044-H1046 HydrophobicContact CZ2-CB 4.18Å; W1044-H1046 HydrophobicContact CZ3-CB 3.8Å; W1044-H1046 PolarHBondContact O-N 3.38Å; W1044-A1047 HydrophobicContact CE3-CB 4.35Å; W1044-A1047 WeakPolarHBondContact O-CB 3.41Å; W1044-A1047 PolarHBondContact O-N 3.2Å; W1044-A1047 VanDerWaalsContact O-N 3.15Å; W1044-A1050 HydrophobicContact CZ3-CB 3.99Å |
| 1045 | P | 63.1 | Low | 69.8 | Low | 50 Ų | 50 | 37.7 Ų | 37.7 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -12.9 | -162.2 | 28.3 | -29.4 | 0 | 0 | 0 | 113.9 | R668 | R668-P1045 VanDerWaalsContact NH2-CD 3.32Š|
| 1046 | H | 72.5 | Confident | 70.8 | Confident | 51 Ų | 51 | 31.1 Ų | 31.1 | 24% | 0.236 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 14.3 | -179 | -52.4 | -52.3 | 0 | 0 | 0 | 112.6 | W888 W1044 A1049 A1050 | W888-H1046 HydrophobicContact CB-CB 4.12Å; W888-H1046 AromaticContact CD1-CD2 3.24Å; W888-H1046 AromaticContact CD1-CG 3.3Å; W888-H1046 AromaticContact CD1-ND1 3.83Å; W888-H1046 AromaticContact CD1-NE2 3.77Å; W888-H1046 HydrophobicContact CD2-CB 3.83Å; W888-H1046 HydrophobicContact CG-CB 3.59Å; W888-H1046 AromaticContact CG-CD2 3.94Å; W888-H1046 AromaticContact CG-CG 3.51Å; W888-H1046 AromaticContact CG-ND1 3.9Å; W888-H1046 AromaticContact NE1-CD2 3.66Å; W888-H1046 AromaticContact NE1-CG 3.91Å; W1044-H1046 HydrophobicContact CD2-CB 4.43Å; W1044-H1046 HydrophobicContact CE3-CB 4.09Å; W1044-H1046 HydrophobicContact CH2-CB 3.85Å; W1044-H1046 HydrophobicContact CZ2-CB 4.18Å; W1044-H1046 HydrophobicContact CZ3-CB 3.8Å; W1044-H1046 PolarHBondContact O-N 3.38Å; H1046-A1049 HydrophobicContact CB-CB 4.46Å; H1046-A1049 PolarHBondContact O-N 2.92Å; H1046-A1050 WeakPolarHBondContact O-CB 3.4Å; H1046-A1050 PolarHBondContact O-N 3.45Å |
| 1047 | A | 71.5 | Confident | 71.5 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.7 | -53.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1044 A1049 A1050 G1051 L1147 | W1044-A1047 HydrophobicContact CE3-CB 4.35Å; W1044-A1047 WeakPolarHBondContact O-CB 3.41Å; W1044-A1047 PolarHBondContact O-N 3.2Å; W1044-A1047 VanDerWaalsContact O-N 3.15Å; A1047-A1049 PolarHBondContact O-N 3.12Å; A1047-A1050 PolarHBondContact O-N 3.2Å; A1047-G1051 PolarHBondContact O-N 3.01Å; A1047-L1147 HydrophobicContact CB-CD1 4.07Å; A1047-L1147 VanDerWaalsContact O-CD1 3.26Å; A1047-L1147 WeakPolarHBondContact O-CD1 3.47Å |
| 1048 | S | 70.4 | Confident | 72 | Confident | 45 Ų | 45 | 30.9 Ų | 30.9 | 32% | 0.315 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 177.6 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | A1050 G1051 I1052 | S1048-A1050 PolarHBondContact O-N 3.25Å; S1048-G1051 PolarHBondContact O-N 3.49Å; S1048-I1052 WeakPolarHBondContact O-CG1 3.18Å; S1048-I1052 PolarHBondContact O-N 3.29Å |
| 1049 | A | 70.1 | Confident | 72.8 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 10% | 0.099 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W888 T892 H1046 A1047 I1052 L1053 | W888-A1049 HydrophobicContact CB-CB 4.2Å; W888-A1049 HydrophobicContact CE3-CB 4.45Å; T892-A1049 WeakPolarHBondContact OG1-CA 3.33Å; T892-A1049 VanDerWaalsContact OG1-CB 3.23Å; T892-A1049 WeakPolarHBondContact OG1-CB 3.45Å; H1046-A1049 HydrophobicContact CB-CB 4.46Å; H1046-A1049 PolarHBondContact O-N 2.92Å; A1047-A1049 PolarHBondContact O-N 3.12Å; A1049-I1052 PolarHBondContact O-N 3.25Å; A1049-L1053 PolarHBondContact O-N 2.92Å |
| 1050 | A | 77.9 | Confident | 73.5 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.4 | -36.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W888 L1037 W1044 H1046 A1047 S1048 L1053 A1054 | W888-A1050 HydrophobicContact CE3-CB 4.19Å; W888-A1050 HydrophobicContact CH2-CB 4.07Å; W888-A1050 HydrophobicContact CZ3-CB 3.6Å; L1037-A1050 HydrophobicContact CD1-CB 4.27Å; W1044-A1050 HydrophobicContact CZ3-CB 3.99Å; H1046-A1050 WeakPolarHBondContact O-CB 3.4Å; H1046-A1050 PolarHBondContact O-N 3.45Å; A1047-A1050 PolarHBondContact O-N 3.2Å; S1048-A1050 PolarHBondContact O-N 3.25Å; A1050-L1053 PolarHBondContact O-N 2.96Å; A1050-A1054 VanDerWaalsContact O-CB 3.32Å; A1050-A1054 WeakPolarHBondContact O-CB 3.43Å; A1050-A1054 PolarHBondContact O-N 2.95Å |
| 1051 | G | 75.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62 | -44 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | A1047 S1048 A1054 A1055 F1150 | A1047-G1051 PolarHBondContact O-N 3.01Å; S1048-G1051 PolarHBondContact O-N 3.49Å; G1051-A1054 PolarHBondContact O-N 2.98Å; G1051-A1055 WeakPolarHBondContact O-CB 3.18Å; G1051-A1055 PolarHBondContact O-N 3.4Å; G1051-F1150 WeakPolarHBondContact O-CE1 3.43Å |
| 1052 | I | 75.2 | Confident | 75.1 | Confident | 16 Ų | 16 | 21 Ų | 21 | 8% | 0.082 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 177 | -66.1 | 163 | 0 | 0 | 0 | 111 | P815 E818 T892 R896 S1048 A1049 G1056 | P815-I1052 HydrophobicContact CB-CD1 4.21Å; P815-I1052 HydrophobicContact CB-CG1 3.71Å; E818-I1052 WeakPolarHBondContact OE2-CD1 3.23Å; T892-I1052 HydrophobicContact CG2-CB 4.19Å; T892-I1052 HydrophobicContact CG2-CD1 4.09Å; T892-I1052 HydrophobicContact CG2-CG2 3.87Å; R896-I1052 HydrophobicContact CG-CG2 3.71Å; S1048-I1052 WeakPolarHBondContact O-CG1 3.18Å; S1048-I1052 PolarHBondContact O-N 3.29Å; A1049-I1052 PolarHBondContact O-N 3.25Å; I1052-G1056 PolarHBondContact O-N 3.27Å; I1052-G1056 VanDerWaalsContact O-N 3.09Å |
| 1053 | L | 81.3 | Confident | 75.8 | Confident | 7 Ų | 7 | 20.2 Ų | 20.2 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 171.8 | 173.7 | 148.3 | 0 | 0 | 0 | 111.5 | L891 V919 L923 A1049 A1050 A1055 G1056 L1057 | L891-L1053 HydrophobicContact CB-CD1 3.65Å; L891-L1053 HydrophobicContact CD1-CD1 4.43Å; L891-L1053 HydrophobicContact CD2-CD1 3.8Å; L891-L1053 HydrophobicContact CG-CD1 4.16Å; V919-L1053 HydrophobicContact CG1-CD2 3.75Å; L923-L1053 HydrophobicContact CD1-CD2 4.16Å; A1049-L1053 PolarHBondContact O-N 2.92Å; A1050-L1053 PolarHBondContact O-N 2.96Å; L1053-A1055 PolarHBondContact O-N 2.93Å; L1053-G1056 PolarHBondContact O-N 2.83Å; L1053-L1057 HydrophobicContact CD2-CD2 4.44Å; L1053-L1057 VanDerWaalsContact O-CB 3.31Å; L1053-L1057 WeakPolarHBondContact O-CB 3.49Å; L1053-L1057 PolarHBondContact O-N 2.88Å |
| 1054 | A | 81.3 | Confident | 76.7 | Confident | 2 Ų | 2 | 15.3 Ų | 15.3 | 2% | 0.017 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.8 | -47.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L923 A1050 G1051 G1056 L1057 I1058 A1151 | L923-A1054 HydrophobicContact CD1-CB 4.15Å; L923-A1054 HydrophobicContact CD2-CB 3.88Å; A1050-A1054 VanDerWaalsContact O-CB 3.32Å; A1050-A1054 WeakPolarHBondContact O-CB 3.43Å; A1050-A1054 PolarHBondContact O-N 2.95Å; G1051-A1054 PolarHBondContact O-N 2.98Å; A1054-G1056 PolarHBondContact O-N 3.29Å; A1054-L1057 PolarHBondContact O-N 2.71Å; A1054-I1058 HydrophobicContact CB-CD1 4.43Å; A1054-I1058 VanDerWaalsContact O-CB 3.26Å; A1054-I1058 WeakPolarHBondContact O-CB 3.33Å; A1054-I1058 WeakPolarHBondContact O-CG1 3.29Å; A1054-I1058 PolarHBondContact O-N 3.45Å; A1054-A1151 HydrophobicContact CB-CB 3.68Å |
| 1055 | A | 79 | Confident | 77.2 | Confident | 5 Ų | 5 | 17.5 Ų | 17.5 | 4% | 0.041 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1051 L1053 T1059 F1150 A1151 R1154 | G1051-A1055 WeakPolarHBondContact O-CB 3.18Å; G1051-A1055 PolarHBondContact O-N 3.4Å; L1053-A1055 PolarHBondContact O-N 2.93Å; A1055-T1059 WeakPolarHBondContact O-CB 3.37Å; A1055-T1059 VanDerWaalsContact O-CG2 3.26Å; A1055-T1059 WeakPolarHBondContact O-CG2 3.46Å; A1055-T1059 PolarHBondContact O-N 3.15Å; A1055-T1059 PolarHBondContact O-OG1 2.94Å; A1055-F1150 HydrophobicContact CB-CD1 4.28Å; A1055-F1150 HydrophobicContact CB-CE1 3.64Å; A1055-F1150 HydrophobicContact CB-CZ 4.03Å; A1055-A1151 HydrophobicContact CB-CB 4.47Å; A1055-R1154 HydrophobicContact CB-CB 4.37Å; A1055-R1154 HydrophobicContact CB-CG 4.1Å |
| 1056 | G | 77.3 | Confident | 77.7 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -72.3 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G895 I1052 L1053 A1054 T1059 H1060 | G895-G1056 WeakPolarHBondContact O-CA 3.47Å; I1052-G1056 PolarHBondContact O-N 3.27Å; I1052-G1056 VanDerWaalsContact O-N 3.09Å; L1053-G1056 PolarHBondContact O-N 2.83Å; A1054-G1056 PolarHBondContact O-N 3.29Å; G1056-T1059 PolarHBondContact O-OG1 2.97Å; G1056-T1059 VanDerWaalsContact O-OG1 3.12Å; G1056-H1060 WeakPolarHBondContact O-CB 3.44Å; G1056-H1060 PolarHBondContact O-N 3.24Å; G1056-H1060 VanDerWaalsContact O-N 3.09Å |
| 1057 | L | 83.5 | Confident | 77.7 | Confident | 6 Ų | 6 | 21.1 Ų | 21.1 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.7 | -46.1 | -179.4 | -178.4 | 62 | 0 | 0 | 0 | 111.9 | L898 L916 V919 M920 L923 L1053 A1054 T1059 H1060 L1061 | L898-L1057 HydrophobicContact CD1-CB 4.32Å; L898-L1057 HydrophobicContact CD1-CD1 3.89Å; L916-L1057 HydrophobicContact CD1-CD1 4.01Å; L916-L1057 HydrophobicContact CD1-CD2 4.3Å; V919-L1057 HydrophobicContact CB-CD2 4.49Å; V919-L1057 HydrophobicContact CG1-CD2 3.57Å; M920-L1057 HydrophobicContact SD-CD2 3.92Å; M920-L1057 HydrophobicContact SD-CG 4.48Å; L923-L1057 HydrophobicContact CD1-CD2 4.42Å; L1053-L1057 HydrophobicContact CD2-CD2 4.44Å; L1053-L1057 VanDerWaalsContact O-CB 3.31Å; L1053-L1057 WeakPolarHBondContact O-CB 3.49Å; L1053-L1057 PolarHBondContact O-N 2.88Å; A1054-L1057 PolarHBondContact O-N 2.71Å; L1057-T1059 VanDerWaalsContact C-N 3.31Å; L1057-T1059 PolarHBondContact O-N 3.28Å; L1057-H1060 PolarHBondContact O-N 3.32Å; L1057-L1061 HydrophobicContact CD1-CD1 4.22Å; L1057-L1061 HydrophobicContact CD1-CG 4.23Å; L1057-L1061 HydrophobicContact CG-CD1 4.01Å; L1057-L1061 HydrophobicContact CG-CG 4.44Å; L1057-L1061 VanDerWaalsContact O-CG 3.27Å; L1057-L1061 WeakPolarHBondContact O-CG 3.48Å; L1057-L1061 PolarHBondContact O-N 3.15Å |
| 1058 | I | 84.6 | Confident | 78 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -36.1 | -178.8 | -76 | 160.1 | 0 | 0 | 0 | 111.4 | A1054 A1062 L1074 F1077 A1151 L1155 | A1054-I1058 HydrophobicContact CB-CD1 4.43Å; A1054-I1058 VanDerWaalsContact O-CB 3.26Å; A1054-I1058 WeakPolarHBondContact O-CB 3.33Å; A1054-I1058 WeakPolarHBondContact O-CG1 3.29Å; A1054-I1058 PolarHBondContact O-N 3.45Å; I1058-A1062 PolarHBondContact O-N 3.11Å; I1058-L1074 HydrophobicContact CG2-CD1 3.89Å; I1058-F1077 HydrophobicContact CD1-CD1 4.2Å; I1058-F1077 HydrophobicContact CD1-CD2 4.36Å; I1058-F1077 HydrophobicContact CD1-CE1 3.66Å; I1058-F1077 HydrophobicContact CD1-CE2 3.84Å; I1058-F1077 HydrophobicContact CD1-CZ 3.46Å; I1058-F1077 VanDerWaalsContact CD1-CZ 3.46Å; I1058-F1077 HydrophobicContact CG1-CE1 4.41Å; I1058-A1151 HydrophobicContact CD1-CB 3.74Å; I1058-L1155 HydrophobicContact CG2-CD1 4.21Å; I1058-L1155 HydrophobicContact CG2-CD2 3.84Å; I1058-L1155 HydrophobicContact CG2-CG 3.9Å; I1058-L1155 WeakPolarHBondContact O-CD2 3.42Å |
| 1059 | T | 79.1 | Confident | 78.4 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.8 | -34.6 | 175.6 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | A1055 G1056 L1057 H1063 R1154 | A1055-T1059 WeakPolarHBondContact O-CB 3.37Å; A1055-T1059 VanDerWaalsContact O-CG2 3.26Å; A1055-T1059 WeakPolarHBondContact O-CG2 3.46Å; A1055-T1059 PolarHBondContact O-N 3.15Å; A1055-T1059 PolarHBondContact O-OG1 2.94Å; G1056-T1059 PolarHBondContact O-OG1 2.97Å; G1056-T1059 VanDerWaalsContact O-OG1 3.12Å; L1057-T1059 VanDerWaalsContact C-N 3.31Å; L1057-T1059 PolarHBondContact O-N 3.28Å; T1059-H1063 PolarHBondContact O-CE1 2.89Å; T1059-H1063 PolarHBondContact O-ND1 3.06Å; T1059-R1154 VanDerWaalsContact CG2-C 3.48Å; T1059-R1154 HydrophobicContact CG2-CB 3.99Å; T1059-R1154 WeakPolarHBondContact CG2-O 3.26Å |
| 1060 | H | 80.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.7 | -49.3 | 171.5 | -170.9 | -102.7 | 0 | 0 | 0 | 111.7 | L898 T901 C903 F905 G1056 L1057 A1062 H1063 Y1064 | L898-H1060 HydrophobicContact CB-CB 4.18Å; T901-H1060 PolarHBondContact O-CD2 3.17Å; C903-H1060 PolarHBondContact O-NE2 3.18Å; F905-H1060 AromaticContact CD2-CE1 3.41Å; F905-H1060 VanDerWaalsContact CD2-CE1 3.41Å; F905-H1060 WeakPolarHBondContact CD2-CE1 3.38Å; F905-H1060 AromaticContact CD2-NE2 3.81Å; F905-H1060 AromaticContact CE2-CE1 3.63Å; F905-H1060 AromaticContact CE2-NE2 3.58Å; G1056-H1060 WeakPolarHBondContact O-CB 3.44Å; G1056-H1060 PolarHBondContact O-N 3.24Å; G1056-H1060 VanDerWaalsContact O-N 3.09Å; L1057-H1060 PolarHBondContact O-N 3.32Å; H1060-A1062 PolarHBondContact O-N 3.37Å; H1060-A1062 VanDerWaalsContact O-N 3.12Å; H1060-H1063 WeakPolarHBondContact O-CB 3.31Å; H1060-H1063 PolarHBondContact O-N 3.49Å; H1060-H1063 VanDerWaalsContact O-N 3.15Å; H1060-H1063 PolarHBondContact O-ND1 3.35Å; H1060-Y1064 AromaticContact CE1-CE2 3.73Å; H1060-Y1064 PolarHBondContact CE1-OH 2.78Å; H1060-Y1064 AromaticContact ND1-CE2 3.78Å |
| 1061 | L | 81.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.7 | -25.2 | -179.1 | -70.1 | 172.9 | 0 | 0 | 0 | 114.2 | L916 M920 L1057 H1063 Y1064 P1070 L1074 | L916-L1061 HydrophobicContact CD1-CD1 4.34Å; L916-L1061 HydrophobicContact CD1-CD2 4.25Å; L916-L1061 HydrophobicContact CD2-CD2 4.34Å; M920-L1061 HydrophobicContact CE-CD1 3.66Å; M920-L1061 HydrophobicContact SD-CD1 3.86Å; L1057-L1061 HydrophobicContact CD1-CD1 4.22Å; L1057-L1061 HydrophobicContact CD1-CG 4.23Å; L1057-L1061 HydrophobicContact CG-CD1 4.01Å; L1057-L1061 HydrophobicContact CG-CG 4.44Å; L1057-L1061 VanDerWaalsContact O-CG 3.27Å; L1057-L1061 WeakPolarHBondContact O-CG 3.48Å; L1057-L1061 PolarHBondContact O-N 3.15Å; L1061-H1063 PolarHBondContact O-N 3.46Å; L1061-Y1064 PolarHBondContact O-N 3.35Å; L1061-P1070 HydrophobicContact CD2-CB 3.61Å; L1061-L1074 HydrophobicContact CB-CB 4.3Å; L1061-L1074 HydrophobicContact CB-CD2 4.14Å |
| 1062 | A | 79.5 | Confident | 79.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1058 H1060 Y1064 L1074 L1155 V1160 | I1058-A1062 PolarHBondContact O-N 3.11Å; H1060-A1062 PolarHBondContact O-N 3.37Å; H1060-A1062 VanDerWaalsContact O-N 3.12Å; A1062-Y1064 VanDerWaalsContact C-N 3.26Å; A1062-Y1064 PolarHBondContact O-N 3.17Å; A1062-L1074 HydrophobicContact CB-CD2 4.18Å; A1062-L1155 HydrophobicContact CB-CD2 3.67Å; A1062-V1160 WeakPolarHBondContact O-CG1 3.47Å |
| 1063 | H | 79.9 | Confident | 79.9 | Confident | 63 Ų | 63 | 32.2 Ų | 32.2 | 29% | 0.292 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -10 | -178.1 | -64.6 | 78.9 | 0 | 0 | 0 | 113.5 | T1059 H1060 L1061 | T1059-H1063 PolarHBondContact O-CE1 2.89Å; T1059-H1063 PolarHBondContact O-ND1 3.06Å; H1060-H1063 WeakPolarHBondContact O-CB 3.31Å; H1060-H1063 PolarHBondContact O-N 3.49Å; H1060-H1063 VanDerWaalsContact O-N 3.15Å; H1060-H1063 PolarHBondContact O-ND1 3.35Å; L1061-H1063 PolarHBondContact O-N 3.46Å |
| 1064 | Y | 79.7 | Confident | 80 | Confident | 14 Ų | 14 | 31.9 Ų | 31.9 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -82.9 | 148.2 | -175.8 | -75.6 | -99.1 | 0 | 0 | 0 | 113.4 | T904 F905 W907 H1060 L1061 A1062 P1070 R1164 | T904-Y1064 WeakPolarHBondContact CA-OH 3.45Å; T904-Y1064 HydrophobicContact CG2-CD1 4.07Å; T904-Y1064 HydrophobicContact CG2-CD2 4.1Å; T904-Y1064 HydrophobicContact CG2-CE1 3.81Å; T904-Y1064 HydrophobicContact CG2-CE2 3.85Å; T904-Y1064 HydrophobicContact CG2-CG 4.21Å; F905-Y1064 PolarHBondContact N-OH 3.47Å; F905-Y1064 PolarHBondContact O-OH 3.46Å; F905-Y1064 VanDerWaalsContact O-OH 3.06Å; W907-Y1064 AromaticContact CD1-CE1 3.7Å; W907-Y1064 AromaticContact CD1-CZ 3.5Å; W907-Y1064 VanDerWaalsContact CD1-CZ 3.5Å; W907-Y1064 AromaticContact NE1-CZ 3.53Å; W907-Y1064 PolarHBondContact NE1-OH 2.98Å; H1060-Y1064 AromaticContact CE1-CE2 3.73Å; H1060-Y1064 PolarHBondContact CE1-OH 2.78Å; H1060-Y1064 AromaticContact ND1-CE2 3.78Å; L1061-Y1064 PolarHBondContact O-N 3.35Å; A1062-Y1064 VanDerWaalsContact C-N 3.26Å; A1062-Y1064 PolarHBondContact O-N 3.17Å; Y1064-P1070 HydrophobicContact CD1-CB 4.31Å; Y1064-P1070 HydrophobicContact CD1-CG 4.38Å; Y1064-P1070 HydrophobicContact CE1-CG 4.48Å; Y1064-P1070 HydrophobicContact CG-CB 4.37Å; Y1064-R1164 PolarHBondContact O-NH2 2.71Å |
| 1065 | P | 77 | Confident | 80.2 | Confident | 80 Ų | 80 | 35.3 Ų | 35.3 | 52% | 0.519 | 20% | 0.201 | S | C | . | . | trans | -67.6 | 148.2 | 178 | 28.5 | -34.6 | 0 | 0 | 0 | 111.4 | A1067 S1068 | P1065-A1067 PolarHBondContact O-N 2.99Å; P1065-A1067 VanDerWaalsContact O-N 3.1Å; P1065-S1068 WeakPolarHBondContact O-CB 3.24Å; P1065-S1068 PolarHBondContact O-N 2.76Å; P1065-S1068 PolarHBondContact O-OG 3.47Å | ||
| 1066 | P | 73.3 | Confident | 80.4 | Confident | 87 Ų | 87 | 39.7 Ų | 39.7 | 57% | 0.565 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -20.9 | -169.7 | 25.2 | -35 | 0 | 0 | 0 | 115.1 | S1068 F1071 | P1066-S1068 VanDerWaalsContact C-N 3.32Å; P1066-F1071 HydrophobicContact CB-CD1 4.15Å; P1066-F1071 HydrophobicContact CB-CE1 4.23Å |
| 1067 | A | 72.5 | Confident | 80.8 | Confident | 90 Ų | 90 | 39.6 Ų | 39.6 | 74% | 0.744 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -10.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1065 | P1065-A1067 PolarHBondContact O-N 2.99Å; P1065-A1067 VanDerWaalsContact O-N 3.1Å |
| 1068 | S | 79.3 | Confident | 80.8 | Confident | 27 Ų | 27 | 39.5 Ų | 39.5 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -85.6 | 143.8 | -173.2 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | P1065 P1066 P1070 F1071 Q1072 | P1065-S1068 WeakPolarHBondContact O-CB 3.24Å; P1065-S1068 PolarHBondContact O-N 2.76Å; P1065-S1068 PolarHBondContact O-OG 3.47Å; P1066-S1068 VanDerWaalsContact C-N 3.32Å; S1068-P1070 VanDerWaalsContact C-CD 3.48Å; S1068-F1071 WeakPolarHBondContact O-CB 3.37Å; S1068-F1071 PolarHBondContact O-N 2.93Å; S1068-Q1072 PolarHBondContact O-N 2.82Å |
| 1069 | E | 78.4 | Confident | 80.7 | Confident | 109 Ų | 109 | 42.4 Ų | 42.4 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.7 | -41.5 | 178.2 | -62 | -166.4 | 153.9 | 0 | 0 | 113.8 | M913 F1071 Q1072 Y1073 | M913-E1069 HydrophobicContact CE-CB 3.76Å; M913-E1069 WeakPolarHBondContact CE-OE2 3.39Å; E1069-F1071 VanDerWaalsContact C-N 3.26Å; E1069-F1071 PolarHBondContact O-N 3.01Å; E1069-Q1072 WeakPolarHBondContact O-CB 3.47Å; E1069-Q1072 PolarHBondContact O-N 2.75Å; E1069-Y1073 VanDerWaalsContact O-CD2 3.22Å; E1069-Y1073 WeakPolarHBondContact O-CD2 3.46Å; E1069-Y1073 PolarHBondContact O-N 3.16Å |
| 1070 | P | 79.7 | Confident | 80.8 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -35.2 | 176.1 | -25.3 | 36 | 0 | 0 | 0 | 113.3 | W907 M913 L916 L1061 Y1064 S1068 L1074 | W907-P1070 HydrophobicContact CB-CG 3.83Å; W907-P1070 HydrophobicContact CG-CG 3.92Å; M913-P1070 HydrophobicContact SD-CG 4.33Å; L916-P1070 HydrophobicContact CD2-CB 3.91Å; L916-P1070 HydrophobicContact CD2-CG 4.12Å; L1061-P1070 HydrophobicContact CD2-CB 3.61Å; Y1064-P1070 HydrophobicContact CD1-CB 4.31Å; Y1064-P1070 HydrophobicContact CD1-CG 4.38Å; Y1064-P1070 HydrophobicContact CE1-CG 4.48Å; Y1064-P1070 HydrophobicContact CG-CB 4.37Å; S1068-P1070 VanDerWaalsContact C-CD 3.48Å; P1070-L1074 PolarHBondContact O-N 3.31Å |
| 1071 | F | 82.2 | Confident | 80.9 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.8 | -36.5 | 173.9 | -176.6 | -92.3 | 0 | 0 | 0 | 112.1 | P1066 S1068 E1069 Y1073 L1074 D1075 R1164 | P1066-F1071 HydrophobicContact CB-CD1 4.15Å; P1066-F1071 HydrophobicContact CB-CE1 4.23Å; S1068-F1071 WeakPolarHBondContact O-CB 3.37Å; S1068-F1071 PolarHBondContact O-N 2.93Å; E1069-F1071 VanDerWaalsContact C-N 3.26Å; E1069-F1071 PolarHBondContact O-N 3.01Å; F1071-Y1073 VanDerWaalsContact C-N 3.28Å; F1071-Y1073 PolarHBondContact O-N 3.45Å; F1071-L1074 HydrophobicContact CD2-CD2 4.27Å; F1071-L1074 HydrophobicContact CE2-CD2 4.17Å; F1071-L1074 CarbonylContact O-C 3.2Å; F1071-L1074 WeakPolarHBondContact O-CA 3.41Å; F1071-L1074 WeakPolarHBondContact O-CB 3.21Å; F1071-L1074 PolarHBondContact O-N 2.94Å; F1071-D1075 HydrophobicContact CD1-CB 4.41Å; F1071-D1075 HydrophobicContact CE1-CB 3.91Å; F1071-D1075 HydrophobicContact CZ-CB 4.38Å; F1071-D1075 PolarHBondContact O-N 2.83Å; F1071-R1164 HydrophobicContact CE2-CG 4.26Å |
| 1072 | Q | 84.2 | Confident | 80.8 | Confident | 110 Ų | 110 | 43.9 Ų | 43.9 | 51% | 0.514 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.2 | -33.8 | 177.7 | -62.4 | 174.4 | 20 | 0 | 0 | 112.5 | S1068 E1069 D1075 R1076 | S1068-Q1072 PolarHBondContact O-N 2.82Å; E1069-Q1072 WeakPolarHBondContact O-CB 3.47Å; E1069-Q1072 PolarHBondContact O-N 2.75Å; Q1072-D1075 PolarHBondContact O-N 3.18Å; Q1072-R1076 WeakPolarHBondContact O-CB 3.37Å; Q1072-R1076 PolarHBondContact O-N 3.03Å |
| 1073 | Y | 83.1 | Confident | 80.8 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.5 | -34.7 | 172 | -72.7 | -79.4 | 0 | 0 | 0 | 112.8 | M913 K917 M920 I924 E1069 F1071 F1077 | M913-Y1073 HydrophobicContact CE-CD2 4.19Å; M913-Y1073 HydrophobicContact CE-CE2 3.62Å; K917-Y1073 HydrophobicContact CB-CE1 4.44Å; K917-Y1073 HydrophobicContact CG-CE1 4.16Å; M920-Y1073 HydrophobicContact CB-CD1 4.07Å; M920-Y1073 HydrophobicContact CB-CG 4.43Å; M920-Y1073 WeakPolarHBondContact CE-O 3.26Å; I924-Y1073 HydrophobicContact CD1-CD1 4.49Å; E1069-Y1073 VanDerWaalsContact O-CD2 3.22Å; E1069-Y1073 WeakPolarHBondContact O-CD2 3.46Å; E1069-Y1073 PolarHBondContact O-N 3.16Å; F1071-Y1073 VanDerWaalsContact C-N 3.28Å; F1071-Y1073 PolarHBondContact O-N 3.45Å; Y1073-F1077 WeakPolarHBondContact O-CB 3.5Å; Y1073-F1077 PolarHBondContact O-N 2.91Å; Y1073-F1077 VanDerWaalsContact O-N 3.07Å |
| 1074 | L | 84.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.4 | -41.3 | 173 | 177.3 | 62.3 | 0 | 0 | 0 | 111.7 | I1058 L1061 A1062 P1070 F1071 F1077 L1078 | I1058-L1074 HydrophobicContact CG2-CD1 3.89Å; L1061-L1074 HydrophobicContact CB-CB 4.3Å; L1061-L1074 HydrophobicContact CB-CD2 4.14Å; A1062-L1074 HydrophobicContact CB-CD2 4.18Å; P1070-L1074 PolarHBondContact O-N 3.31Å; F1071-L1074 HydrophobicContact CD2-CD2 4.27Å; F1071-L1074 HydrophobicContact CE2-CD2 4.17Å; F1071-L1074 CarbonylContact O-C 3.2Å; F1071-L1074 WeakPolarHBondContact O-CA 3.41Å; F1071-L1074 WeakPolarHBondContact O-CB 3.21Å; F1071-L1074 PolarHBondContact O-N 2.94Å; L1074-F1077 HydrophobicContact CD1-CD1 4.43Å; L1074-F1077 WeakPolarHBondContact O-CB 3.45Å; L1074-F1077 PolarHBondContact O-N 2.83Å; L1074-L1078 HydrophobicContact CD1-CD1 4.24Å; L1074-L1078 HydrophobicContact CD1-CG 4.22Å; L1074-L1078 HydrophobicContact CG-CD1 4.17Å; L1074-L1078 WeakPolarHBondContact O-CG 3.12Å; L1074-L1078 PolarHBondContact O-N 3.44Å |
| 1075 | D | 83.9 | Confident | 80.3 | Confident | 73 Ų | 73 | 44.7 Ų | 44.7 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 177.7 | -164.4 | 71.1 | 0 | 0 | 0 | 111.6 | F1071 Q1072 F1077 L1078 T1079 | F1071-D1075 HydrophobicContact CD1-CB 4.41Å; F1071-D1075 HydrophobicContact CE1-CB 3.91Å; F1071-D1075 HydrophobicContact CZ-CB 4.38Å; F1071-D1075 PolarHBondContact O-N 2.83Å; Q1072-D1075 PolarHBondContact O-N 3.18Å; D1075-F1077 VanDerWaalsContact C-N 3.32Å; D1075-F1077 PolarHBondContact O-N 3.03Å; D1075-L1078 PolarHBondContact O-N 3.23Å; D1075-T1079 WeakPolarHBondContact O-CB 3.31Å; D1075-T1079 WeakPolarHBondContact O-CG2 3.22Å; D1075-T1079 PolarHBondContact O-N 3.19Å; D1075-T1079 PolarHBondContact O-OG1 3.29Å |
| 1076 | R | 83.7 | Confident | 80.2 | Confident | 97 Ų | 97 | 44.8 Ų | 44.8 | 37% | 0.366 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 170.7 | -175.1 | 175.8 | 172.5 | -169.4 | -1.5 | 112.7 | I924 D926 Q1072 T1079 A1080 | I924-R1076 HydrophobicContact CD1-CB 4.49Å; I924-R1076 HydrophobicContact CD1-CG 4.27Å; I924-R1076 HydrophobicContact CG2-CG 4.32Å; D926-R1076 IonicContact OD2-CZ 3.75Å; D926-R1076 VanDerWaalsContact OD2-CZ 3.31Å; D926-R1076 IonicContact OD2-NE 2.73Å; D926-R1076 PolarHBondContact OD2-NE 3.34Å; D926-R1076 VanDerWaalsContact OD2-NE 3.12Å; D926-R1076 IonicContact OD2-NH2 2.86Å; D926-R1076 PolarHBondContact OD2-NH2 2.99Å; Q1072-R1076 WeakPolarHBondContact O-CB 3.37Å; Q1072-R1076 PolarHBondContact O-N 3.03Å; R1076-T1079 WeakPolarHBondContact CA-OG1 3.49Å; R1076-T1079 PolarHBondContact O-OG1 2.69Å; R1076-A1080 VanDerWaalsContact O-CB 3.22Å; R1076-A1080 WeakPolarHBondContact O-CB 3.41Å; R1076-A1080 PolarHBondContact O-N 3.46Å; R1076-A1080 VanDerWaalsContact O-N 3.1Å |
| 1077 | F | 85.2 | Confident | 80 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -48.7 | 174.5 | 173.6 | -93 | 0 | 0 | 0 | 111.7 | M920 I924 I1058 Y1073 L1074 D1075 L1081 I1148 A1152 | M920-F1077 HydrophobicContact CE-CB 4.45Å; I924-F1077 HydrophobicContact CG1-CB 3.96Å; I924-F1077 HydrophobicContact CG1-CD2 4.18Å; I1058-F1077 HydrophobicContact CD1-CD1 4.2Å; I1058-F1077 HydrophobicContact CD1-CD2 4.36Å; I1058-F1077 HydrophobicContact CD1-CE1 3.66Å; I1058-F1077 HydrophobicContact CD1-CE2 3.84Å; I1058-F1077 HydrophobicContact CD1-CZ 3.46Å; I1058-F1077 VanDerWaalsContact CD1-CZ 3.46Å; I1058-F1077 HydrophobicContact CG1-CE1 4.41Å; Y1073-F1077 WeakPolarHBondContact O-CB 3.5Å; Y1073-F1077 PolarHBondContact O-N 2.91Å; Y1073-F1077 VanDerWaalsContact O-N 3.07Å; L1074-F1077 HydrophobicContact CD1-CD1 4.43Å; L1074-F1077 WeakPolarHBondContact O-CB 3.45Å; L1074-F1077 PolarHBondContact O-N 2.83Å; D1075-F1077 VanDerWaalsContact C-N 3.32Å; D1075-F1077 PolarHBondContact O-N 3.03Å; F1077-L1081 HydrophobicContact CE1-CD1 3.94Å; F1077-L1081 HydrophobicContact CZ-CD1 3.89Å; F1077-L1081 WeakPolarHBondContact O-CB 3.36Å; F1077-L1081 PolarHBondContact O-N 2.98Å; F1077-I1148 HydrophobicContact CE2-CG2 3.85Å; F1077-I1148 HydrophobicContact CZ-CG2 3.8Å; F1077-A1152 HydrophobicContact CE1-CB 4.09Å |
| 1078 | L | 84 | Confident | 79.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.3 | -42.5 | -178.4 | -65.5 | 174 | 0 | 0 | 0 | 112.3 | L1074 D1075 L1081 H1082 L1155 L1165 L1170 | L1074-L1078 HydrophobicContact CD1-CD1 4.24Å; L1074-L1078 HydrophobicContact CD1-CG 4.22Å; L1074-L1078 HydrophobicContact CG-CD1 4.17Å; L1074-L1078 WeakPolarHBondContact O-CG 3.12Å; L1074-L1078 PolarHBondContact O-N 3.44Å; D1075-L1078 PolarHBondContact O-N 3.23Å; L1078-L1081 PolarHBondContact O-N 3.34Å; L1078-H1082 WeakPolarHBondContact O-CB 3.36Å; L1078-H1082 PolarHBondContact O-N 3.07Å; L1078-L1155 HydrophobicContact CD1-CD1 4.2Å; L1078-L1155 HydrophobicContact CD2-CD1 3.72Å; L1078-L1165 HydrophobicContact CD2-CD2 4.46Å; L1078-L1170 HydrophobicContact CB-CD1 3.85Å; L1078-L1170 HydrophobicContact CD2-CD1 3.55Å; L1078-L1170 HydrophobicContact CG-CD1 4.25Å |
| 1079 | T | 83.7 | Confident | 79.2 | Confident | 62 Ų | 62 | 40.9 Ų | 40.9 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 176.9 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | D1075 R1076 L1081 H1082 L1083 | D1075-T1079 WeakPolarHBondContact O-CB 3.31Å; D1075-T1079 WeakPolarHBondContact O-CG2 3.22Å; D1075-T1079 PolarHBondContact O-N 3.19Å; D1075-T1079 PolarHBondContact O-OG1 3.29Å; R1076-T1079 WeakPolarHBondContact CA-OG1 3.49Å; R1076-T1079 PolarHBondContact O-OG1 2.69Å; T1079-L1081 VanDerWaalsContact C-N 3.34Å; T1079-L1081 PolarHBondContact O-N 3.46Å; T1079-H1082 PolarHBondContact O-N 2.84Å; T1079-L1083 VanDerWaalsContact O-CG 3.31Å; T1079-L1083 WeakPolarHBondContact O-CG 3.13Å; T1079-L1083 PolarHBondContact O-N 3.04Å |
| 1080 | A | 80.4 | Confident | 78.5 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 12% | 0.116 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I924 P925 R1076 L1083 C1084 | I924-A1080 HydrophobicContact CG2-CB 4.12Å; P925-A1080 HydrophobicContact CG-CB 4.25Å; R1076-A1080 VanDerWaalsContact O-CB 3.22Å; R1076-A1080 WeakPolarHBondContact O-CB 3.41Å; R1076-A1080 PolarHBondContact O-N 3.46Å; R1076-A1080 VanDerWaalsContact O-N 3.1Å; A1080-L1083 PolarHBondContact O-N 3.11Å; A1080-C1084 PolarHBondContact O-N 3.48Å; A1080-C1084 PolarHBondContact O-SG 2.81Å; A1080-C1084 VanDerWaalsContact O-SG 3.38Å |
| 1081 | L | 81.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -41.1 | 179.1 | -160.9 | 157.1 | 0 | 0 | 0 | 112.1 | F1077 L1078 T1079 C1084 L1085 I1148 A1152 L1170 | F1077-L1081 HydrophobicContact CE1-CD1 3.94Å; F1077-L1081 HydrophobicContact CZ-CD1 3.89Å; F1077-L1081 WeakPolarHBondContact O-CB 3.36Å; F1077-L1081 PolarHBondContact O-N 2.98Å; L1078-L1081 PolarHBondContact O-N 3.34Å; T1079-L1081 VanDerWaalsContact C-N 3.34Å; T1079-L1081 PolarHBondContact O-N 3.46Å; L1081-C1084 WeakPolarHBondContact O-CB 3.5Å; L1081-C1084 PolarHBondContact O-N 2.81Å; L1081-L1085 HydrophobicContact CD2-CD1 3.62Å; L1081-L1085 HydrophobicContact CD2-CG 4.05Å; L1081-L1085 PolarHBondContact O-N 2.97Å; L1081-I1148 HydrophobicContact CD1-CG2 3.8Å; L1081-A1152 HydrophobicContact CD1-CB 3.62Å; L1081-L1170 HydrophobicContact CD2-CD2 3.54Å |
| 1082 | H | 81.4 | Confident | 75.8 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.2 | -49.2 | 173.2 | 179.4 | 56.1 | 0 | 0 | 0 | 110.8 | L1078 T1079 C1084 L1085 K1086 L1170 D1173 | L1078-H1082 WeakPolarHBondContact O-CB 3.36Å; L1078-H1082 PolarHBondContact O-N 3.07Å; T1079-H1082 PolarHBondContact O-N 2.84Å; H1082-C1084 PolarHBondContact O-N 3.11Å; H1082-L1085 PolarHBondContact O-N 3Å; H1082-K1086 PolarHBondContact CE1-NZ 3.05Å; H1082-K1086 PolarHBondContact NE2-NZ 3.14Å; H1082-K1086 WeakPolarHBondContact O-CB 3.46Å; H1082-K1086 PolarHBondContact O-N 2.93Å; H1082-L1170 HydrophobicContact CB-CD2 3.9Å; H1082-L1170 HydrophobicContact CB-CG 4.09Å; H1082-D1173 IonicContact CE1-OD1 3.67Å; H1082-D1173 IonicContact CE1-OD2 2.72Å; H1082-D1173 PolarHBondContact CE1-OD2 2.74Å; H1082-D1173 IonicContact CG-OD2 3.1Å; H1082-D1173 IonicContact ND1-OD1 2.82Å; H1082-D1173 IonicContact ND1-OD2 4Å; H1082-D1173 PolarHBondContact ND1-OD2 3.06Å |
| 1083 | L | 78.7 | Confident | 73.8 | Confident | 89 Ų | 89 | 44 Ų | 44 | 47% | 0.466 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 176.2 | -69.5 | 170.2 | 0 | 0 | 0 | 111.6 | T1079 A1080 F1087 | T1079-L1083 VanDerWaalsContact O-CG 3.31Å; T1079-L1083 WeakPolarHBondContact O-CG 3.13Å; T1079-L1083 PolarHBondContact O-N 3.04Å; A1080-L1083 PolarHBondContact O-N 3.11Å; L1083-F1087 WeakPolarHBondContact O-CB 3.48Å; L1083-F1087 WeakPolarHBondContact O-CD2 3.17Å; L1083-F1087 PolarHBondContact O-N 3.01Å |
| 1084 | C | 74.5 | Confident | 71.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.7 | -54.4 | 174.3 | -76.7 | 0 | 0 | 0 | 0 | 112.6 | A1080 L1081 H1082 F1087 V1088 M1131 F1135 | A1080-C1084 PolarHBondContact O-N 3.48Å; A1080-C1084 PolarHBondContact O-SG 2.81Å; A1080-C1084 VanDerWaalsContact O-SG 3.38Å; L1081-C1084 WeakPolarHBondContact O-CB 3.5Å; L1081-C1084 PolarHBondContact O-N 2.81Å; H1082-C1084 PolarHBondContact O-N 3.11Å; C1084-F1087 PolarHBondContact O-N 3.12Å; C1084-V1088 WeakPolarHBondContact O-CG2 3.43Å; C1084-V1088 PolarHBondContact O-N 3.37Å; C1084-M1131 WeakPolarHBondContact SG-CE 3.23Å; C1084-F1135 HydrophobicContact CB-CD2 3.75Å; C1084-F1135 HydrophobicContact CB-CE2 3.86Å |
| 1085 | L | 74.6 | Confident | 69.3 | Low | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.7 | -45.1 | -176.8 | -66.5 | -178.5 | 0 | 0 | 0 | 111.9 | L1081 H1082 F1087 V1088 L1089 L1149 L1170 D1173 F1174 I1177 | L1081-L1085 HydrophobicContact CD2-CD1 3.62Å; L1081-L1085 HydrophobicContact CD2-CG 4.05Å; L1081-L1085 PolarHBondContact O-N 2.97Å; H1082-L1085 PolarHBondContact O-N 3Å; L1085-F1087 VanDerWaalsContact C-N 3.3Å; L1085-F1087 PolarHBondContact O-N 3.31Å; L1085-V1088 PolarHBondContact O-N 3.19Å; L1085-V1088 VanDerWaalsContact O-N 3.09Å; L1085-L1089 WeakPolarHBondContact O-CG 3.39Å; L1085-L1089 PolarHBondContact O-N 3.2Å; L1085-L1149 HydrophobicContact CD1-CD1 4.25Å; L1085-L1170 HydrophobicContact CD1-CD2 4.3Å; L1085-D1173 HydrophobicContact CB-CB 4.35Å; L1085-D1173 HydrophobicContact CD1-CB 4.24Å; L1085-F1174 HydrophobicContact CD1-CD1 4.16Å; L1085-F1174 HydrophobicContact CD1-CE1 3.84Å; L1085-I1177 HydrophobicContact CD1-CD1 4.33Å; L1085-I1177 HydrophobicContact CD2-CD1 4.37Å |
| 1086 | K | 75 | Confident | 66.9 | Low | 82 Ų | 82 | 55.8 Ų | 55.8 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 179 | -161.5 | 176.4 | -142.9 | 163.1 | 0 | 112.3 | H1082 N1090 | H1082-K1086 PolarHBondContact CE1-NZ 3.05Å; H1082-K1086 PolarHBondContact NE2-NZ 3.14Å; H1082-K1086 WeakPolarHBondContact O-CB 3.46Å; H1082-K1086 PolarHBondContact O-N 2.93Å; K1086-N1090 VanDerWaalsContact O-CB 3.27Å; K1086-N1090 WeakPolarHBondContact O-CB 3.31Å; K1086-N1090 VanDerWaalsContact O-CG 3.23Å; K1086-N1090 PolarHBondContact O-N 3.16Å; K1086-N1090 PolarHBondContact O-ND2 3.2Å |
| 1087 | F | 68.6 | Low | 64.3 | Low | 89 Ų | 89 | 58.3 Ų | 58.3 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.8 | -36.7 | 173.1 | -96 | -79.3 | 0 | 0 | 0 | 113.4 | L1083 C1084 L1085 K1091 | L1083-F1087 WeakPolarHBondContact O-CB 3.48Å; L1083-F1087 WeakPolarHBondContact O-CD2 3.17Å; L1083-F1087 PolarHBondContact O-N 3.01Å; C1084-F1087 PolarHBondContact O-N 3.12Å; L1085-F1087 VanDerWaalsContact C-N 3.3Å; L1085-F1087 PolarHBondContact O-N 3.31Å; F1087-K1091 WeakPolarHBondContact O-CB 3.24Å; F1087-K1091 PolarHBondContact O-N 3.47Å; F1087-K1091 VanDerWaalsContact O-N 3.14Å |
| 1088 | V | 68.4 | Low | 61.6 | Low | 8 Ų | 8 | 64.4 Ų | 64.4 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 175 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | C1084 L1085 F1135 F1209 | C1084-V1088 WeakPolarHBondContact O-CG2 3.43Å; C1084-V1088 PolarHBondContact O-N 3.37Å; L1085-V1088 PolarHBondContact O-N 3.19Å; L1085-V1088 VanDerWaalsContact O-N 3.09Å; V1088-F1135 HydrophobicContact CG2-CB 4.3Å; V1088-F1209 HydrophobicContact CG1-CE1 3.87Å; V1088-F1209 HydrophobicContact CG1-CZ 4.22Å |
| 1089 | L | 67.9 | Low | 58.9 | Low | 25 Ų | 25 | 68.8 Ų | 68.8 | 13% | 0.131 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.7 | -52.7 | 176.1 | -68.6 | 163.6 | 0 | 0 | 0 | 111.6 | L1085 K1091 S1176 I1177 F1209 | L1085-L1089 WeakPolarHBondContact O-CG 3.39Å; L1085-L1089 PolarHBondContact O-N 3.2Å; L1089-K1091 PolarHBondContact O-N 2.95Å; L1089-S1176 WeakPolarHBondContact CD1-OG 3.49Å; L1089-I1177 HydrophobicContact CD2-CG1 4.25Å; L1089-F1209 HydrophobicContact CD2-CE1 4.15Å; L1089-F1209 HydrophobicContact CD2-CE2 4.24Å; L1089-F1209 HydrophobicContact CD2-CZ 3.84Å |
| 1090 | N | 63.2 | Low | 56.3 | Low | 96 Ų | 96 | 74.1 Ų | 74.1 | 51% | 0.513 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.8 | -28.4 | -173.9 | -74.2 | -15.4 | 0 | 0 | 0 | 114.7 | K1086 Q1092 S1093 | K1086-N1090 VanDerWaalsContact O-CB 3.27Å; K1086-N1090 WeakPolarHBondContact O-CB 3.31Å; K1086-N1090 VanDerWaalsContact O-CG 3.23Å; K1086-N1090 PolarHBondContact O-N 3.16Å; K1086-N1090 PolarHBondContact O-ND2 3.2Å; N1090-Q1092 VanDerWaalsContact C-N 3.33Å; N1090-S1093 PolarHBondContact O-OG 3.5Å |
| 1091 | K | 54.1 | Low | 53.7 | Low | 93 Ų | 93 | 80.5 Ų | 80.5 | 40% | 0.404 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -82.5 | -11 | -176.3 | -148.2 | 168.3 | -169.6 | 165.2 | 0 | 113.6 | F1087 L1089 I1132 | F1087-K1091 WeakPolarHBondContact O-CB 3.24Å; F1087-K1091 PolarHBondContact O-N 3.47Å; F1087-K1091 VanDerWaalsContact O-N 3.14Å; L1089-K1091 PolarHBondContact O-N 2.95Å; K1091-I1132 HydrophobicContact CD-CD1 3.64Å |
| 1092 | Q | 50.4 | Low | 51.3 | Low | 64 Ų | 64 | 89.5 Ų | 89.5 | 30% | 0.299 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -90.3 | -30.5 | 177.3 | -69.9 | -179 | -16 | 0 | 0 | 112.9 | N1090 N1094 K1095 F1209 | N1090-Q1092 VanDerWaalsContact C-N 3.33Å; Q1092-N1094 VanDerWaalsContact C-N 3.27Å; Q1092-N1094 PolarHBondContact O-N 3.24Å; Q1092-K1095 PolarHBondContact O-N 2.9Å; Q1092-F1209 VanDerWaalsContact OE1-CZ 3.27Å |
| 1093 | S | 42.8 | Very low | 48.8 | Very low | 56 Ų | 56 | 95 Ų | 95 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -31.8 | 173.2 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | N1090 S1096 | N1090-S1093 PolarHBondContact O-OG 3.5Å; S1093-S1096 PolarHBondContact O-OG 3.08Å; S1093-S1096 VanDerWaalsContact O-OG 3.09Å |
| 1094 | N | 37.4 | Very low | 46.4 | Very low | 105 Ų | 105 | 97.8 Ų | 97.8 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -84.2 | -13.7 | -173.3 | -66 | 6.9 | 0 | 0 | 0 | 113.1 | Q1092 S1096 L1097 | Q1092-N1094 VanDerWaalsContact C-N 3.27Å; Q1092-N1094 PolarHBondContact O-N 3.24Å; N1094-S1096 VanDerWaalsContact C-N 3.27Å; N1094-S1096 PolarHBondContact O-N 3.28Å; N1094-L1097 PolarHBondContact O-N 3.39Å |
| 1095 | K | 35.6 | Very low | 44.2 | Very low | 183 Ų | 183 | 103.9 Ų | 103.9 | 80% | 0.796 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -70.2 | -20.8 | 177.1 | -91.9 | -169.9 | 170.8 | -173.7 | 0 | 113.8 | Q1092 | Q1092-K1095 PolarHBondContact O-N 2.9Š|
| 1096 | S | 33.3 | Very low | 42 | Very low | 74 Ų | 74 | 107.1 Ų | 107.1 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -89.9 | 5.4 | 174.7 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | S1093 N1094 | S1093-S1096 PolarHBondContact O-OG 3.08Å; S1093-S1096 VanDerWaalsContact O-OG 3.09Å; N1094-S1096 VanDerWaalsContact C-N 3.27Å; N1094-S1096 PolarHBondContact O-N 3.28Å |
| 1097 | L | 29.3 | Very low | 39.8 | Very low | 150 Ų | 150 | 110 Ų | 110 | 79% | 0.785 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -119.5 | 8.3 | -176.3 | -148.2 | 73.9 | 0 | 0 | 0 | 114.1 | N1094 | N1094-L1097 PolarHBondContact O-N 3.39Š|
| 1098 | V | 29 | Very low | 37.8 | Very low | 129 Ų | 129 | 112.6 Ų | 112.6 | 78% | 0.782 | 62% | 0.623 | S | S | * | * | trans | -126.6 | 65.4 | 179.3 | -168.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1099 | S | 27.6 | Very low | 35.8 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | trans | -148.1 | 35.5 | 177.8 | 71 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1100 | H | 27.4 | Very low | 33.7 | Very low | 174 Ų | 174 | 125.5 Ų | 125.5 | 81% | 0.806 | 69% | 0.69 | S | S | * | * | trans | -137.2 | 156.1 | 162.9 | -83.5 | -71.5 | 0 | 0 | 0 | 109.4 | ||||
| 1101 | N | 26.7 | Very low | 32 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 71.7 | 71.9 | -175.9 | -52.1 | -11.2 | 0 | 0 | 0 | 115.6 | ||
| 1102 | H | 32 | Very low | 30.7 | Very low | 188 Ų | 188 | 133 Ų | 133 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | -169.4 | 135.5 | 112.1 | -110.1 | -76.4 | 0 | 0 | 0 | 112.3 | |||||
| 1103 | D | 27.2 | Very low | 29.5 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | -103.6 | 158.1 | 177.9 | -74 | -61.2 | 0 | 0 | 0 | 113.1 | ||||
| 1104 | N | 28.8 | Very low | 28.7 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 76.1 | 131.3 | 156.9 | -64.2 | -44.7 | 0 | 0 | 0 | 121.7 | ||||
| 1105 | S | 29.1 | Very low | 28.2 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | 59.4 | 156.3 | 158.8 | 65 | 0 | 0 | 0 | 0 | 120 | ||||
| 1106 | G | 28.2 | Very low | 27.6 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | cis | 166.4 | 116.3 | -14.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1107 | N | 28.3 | Very low | 27.3 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | 57 | 103.2 | 161.2 | -67.7 | -10.3 | 0 | 0 | 0 | 121.8 | ||||
| 1108 | N | 26 | Very low | 27 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | 43.3 | 116.2 | 123.8 | -51.7 | -16.7 | 0 | 0 | 0 | 121.4 | |||||
| 1109 | K | 27.6 | Very low | 27 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | 177.9 | 133.2 | 101.2 | -99.6 | -178.4 | -179.3 | -177.1 | 0 | 115.4 | |||||
| 1110 | S | 24.5 | Very low | 26.9 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | 46 | 144.7 | 142.9 | 63.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1111 | M | 27.1 | Very low | 26.7 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 96% | 0.961 | 78% | 0.778 | S | S | * | * | trans | 98.7 | 148.8 | 149.3 | -135.1 | 63.6 | 161.9 | 0 | 0 | 117.6 | ||||
| 1112 | D | 25.5 | Very low | 26.8 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -116.8 | 160.9 | -155.6 | -134.2 | -41.2 | 0 | 0 | 0 | 113.7 | ||||
| 1113 | Q | 26.7 | Very low | 26.7 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | 70.8 | 129.1 | 171.1 | -66.1 | -167.4 | 29.4 | 0 | 0 | 122 | ||||
| 1114 | K | 25.2 | Very low | 26.7 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 70.7 | 104.2 | 146.4 | -68.4 | 162.8 | 178.5 | 149.6 | 0 | 119.1 | ||||
| 1115 | L | 27.1 | Very low | 27 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | -151.6 | 153.7 | 94.9 | -110.4 | 155.1 | 0 | 0 | 0 | 111.7 | |||||
| 1116 | S | 23.5 | Very low | 27.4 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | trans | -85.6 | 163.4 | 170.2 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1117 | Q | 25.6 | Very low | 28 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | -167.4 | 162.8 | 57.1 | -112 | 167.7 | -89 | 0 | 0 | 112.2 | |||||
| 1118 | D | 24.5 | Very low | 28.6 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 60% | 0.599 | 72% | 0.722 | S | S | * | * | trans | 41.2 | 108.3 | 144 | -45 | -26.7 | 0 | 0 | 0 | 120.5 | ||||
| 1119 | N | 28.5 | Very low | 29.5 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | 179.4 | 119.8 | 95.7 | -96.8 | -71.5 | 0 | 0 | 0 | 115.4 | |||||
| 1120 | N | 24.7 | Very low | 30.3 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | trans | 32.2 | 141.3 | 141.7 | -64.9 | -50.9 | 0 | 0 | 0 | 124.4 | ||||
| 1121 | S | 24.7 | Very low | 31.3 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 78% | 0.776 | 66% | 0.655 | S | S | * | * | trans | 80.5 | 96.4 | 158.9 | 71.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1122 | T | 27.5 | Very low | 32.4 | Very low | 136 Ų | 136 | 115.4 Ų | 115.4 | 83% | 0.834 | 62% | 0.62 | S | S | * | * | -172.1 | 125.1 | 114.7 | 22.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1123 | H | 29.6 | Very low | 33.7 | Very low | 185 Ų | 185 | 111.8 Ų | 111.8 | 86% | 0.856 | 60% | 0.601 | S | S | * | * | trans | 40 | 143.1 | 157.4 | -77.3 | -77.6 | 0 | 0 | 0 | 125.3 | ||||
| 1124 | N | 28.5 | Very low | 35 | Very low | 146 Ų | 146 | 105.2 Ų | 105.2 | 78% | 0.781 | 57% | 0.57 | S | S | * | * | trans | -78.2 | 119.8 | 173.4 | -60.1 | -40.3 | 0 | 0 | 0 | 112.1 | ||||
| 1125 | D | 33.7 | Very low | 36.7 | Very low | 110 Ų | 110 | 96.8 Ų | 96.8 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | trans | -137.3 | 0.8 | 169.1 | -138.9 | -8.2 | 0 | 0 | 0 | 114.4 | N1128 | D1125-N1128 PolarHBondContact OD1-ND2 2.89Š| ||
| 1126 | S | 38.5 | Very low | 38.4 | Very low | 78 Ų | 78 | 91 Ų | 91 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -65.2 | -43.9 | 179.6 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | N1128 T1129 | S1126-N1128 PolarHBondContact O-N 2.95Å; S1126-T1129 WeakPolarHBondContact O-CB 3.28Å; S1126-T1129 PolarHBondContact O-N 3.03Å; S1126-T1129 VanDerWaalsContact O-N 3.11Å; S1126-T1129 PolarHBondContact O-OG1 3.44Å |
| 1127 | N | 40.1 | Very low | 40.2 | Very low | 109 Ų | 109 | 87.1 Ų | 87.1 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -61.1 | -31.5 | -175.1 | -68.6 | -3.7 | 0 | 0 | 0 | 113 | T1129 | N1127-T1129 PolarHBondContact O-N 2.94Š|
| 1128 | N | 41 | Very low | 41.8 | Very low | 49 Ų | 49 | 85.2 Ų | 85.2 | 26% | 0.262 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -70.8 | -6.8 | 179.8 | -67.8 | -33.8 | 0 | 0 | 0 | 114 | D1125 S1126 | D1125-N1128 PolarHBondContact OD1-ND2 2.89Å; S1126-N1128 PolarHBondContact O-N 2.95Å |
| 1129 | T | 44.5 | Very low | 43.7 | Very low | 71 Ų | 71 | 85.7 Ų | 85.7 | 44% | 0.436 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -81.7 | -34.7 | -178.8 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | S1126 N1127 M1131 I1132 | S1126-T1129 WeakPolarHBondContact O-CB 3.28Å; S1126-T1129 PolarHBondContact O-N 3.03Å; S1126-T1129 VanDerWaalsContact O-N 3.11Å; S1126-T1129 PolarHBondContact O-OG1 3.44Å; N1127-T1129 PolarHBondContact O-N 2.94Å; T1129-M1131 PolarHBondContact O-N 3.37Å; T1129-I1132 WeakPolarHBondContact O-CB 3.46Å; T1129-I1132 PolarHBondContact O-N 2.9Å |
| 1130 | N | 45.7 | Very low | 45.5 | Very low | 73 Ų | 73 | 79 Ų | 79 | 39% | 0.39 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.4 | -35.6 | -176.9 | -71.3 | -36.7 | 0 | 0 | 0 | 112.8 | W1039 I1132 L1133 | W1039-N1130 HydrophobicContact CH2-CB 3.96Å; W1039-N1130 HydrophobicContact CZ2-CB 4.15Å; N1130-I1132 PolarHBondContact O-N 3.12Å; N1130-I1132 VanDerWaalsContact O-N 3.11Å; N1130-L1133 PolarHBondContact O-N 2.9Å |
| 1131 | M | 45.1 | Very low | 47.3 | Very low | 27 Ų | 27 | 73.6 Ų | 73.6 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.1 | -23.4 | 176.5 | -66.7 | -69 | -81.2 | 0 | 0 | 113.5 | Q927 C1084 T1129 T1134 | Q927-M1131 HydrophobicContact CG-CG 4.28Å; Q927-M1131 HydrophobicContact CG-SD 3.73Å; C1084-M1131 WeakPolarHBondContact SG-CE 3.23Å; T1129-M1131 PolarHBondContact O-N 3.37Å; M1131-T1134 PolarHBondContact O-OG1 3.44Å |
| 1132 | I | 50.3 | Low | 49.2 | Very low | 44 Ų | 44 | 74.8 Ų | 74.8 | 23% | 0.226 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -77.3 | -32.6 | -177.3 | -56.5 | 166.8 | 0 | 0 | 0 | 110.7 | K1091 T1129 N1130 H1136 | K1091-I1132 HydrophobicContact CD-CD1 3.64Å; T1129-I1132 WeakPolarHBondContact O-CB 3.46Å; T1129-I1132 PolarHBondContact O-N 2.9Å; N1130-I1132 PolarHBondContact O-N 3.12Å; N1130-I1132 VanDerWaalsContact O-N 3.11Å; I1132-H1136 VanDerWaalsContact O-CB 3.26Å; I1132-H1136 WeakPolarHBondContact O-CB 3.37Å; I1132-H1136 PolarHBondContact O-N 3.47Å |
| 1133 | L | 52.4 | Low | 51.1 | Low | 75 Ų | 75 | 69 Ų | 69 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.4 | -29.4 | -169.8 | -69.5 | 171.4 | 0 | 0 | 0 | 113.9 | W1039 N1130 Y1139 | W1039-L1133 HydrophobicContact CH2-CB 4.49Å; N1130-L1133 PolarHBondContact O-N 2.9Å; L1133-Y1139 HydrophobicContact CD2-CE2 3.96Å; L1133-Y1139 WeakPolarHBondContact O-CB 3.41Å |
| 1134 | T | 55.1 | Low | 53.1 | Low | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72 | -38.1 | -174 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | A1038 W1039 M1131 | A1038-T1134 HydrophobicContact CB-CG2 4.09Å; W1039-T1134 HydrophobicContact CD2-CG2 3.87Å; W1039-T1134 VanDerWaalsContact CE2-CG2 3.41Å; W1039-T1134 HydrophobicContact CE3-CG2 4.46Å; W1039-T1134 HydrophobicContact CG-CG2 4.26Å; W1039-T1134 HydrophobicContact CH2-CG2 4.27Å; W1039-T1134 HydrophobicContact CZ2-CG2 3.64Å; M1131-T1134 PolarHBondContact O-OG1 3.44Å |
| 1135 | F | 60.6 | Low | 55.1 | Low | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -114.9 | 9.1 | -175.5 | -67.6 | -77.6 | 0 | 0 | 0 | 114.4 | P925 C1084 V1088 G1145 I1148 H1212 | P925-F1135 HydrophobicContact CB-CE2 4.34Å; P925-F1135 HydrophobicContact CG-CE2 4.47Å; C1084-F1135 HydrophobicContact CB-CD2 3.75Å; C1084-F1135 HydrophobicContact CB-CE2 3.86Å; V1088-F1135 HydrophobicContact CG2-CB 4.3Å; F1135-G1145 WeakPolarHBondContact CE1-O 3.34Å; F1135-I1148 HydrophobicContact CZ-CB 4.37Å; F1135-I1148 HydrophobicContact CZ-CG2 4.08Å; F1135-H1212 PolarHBondContact O-CE1 3.32Å; F1135-H1212 PolarHBondContact O-NE2 3.43Å |
| 1136 | H | 63 | Low | 57.1 | Low | 49 Ų | 49 | 48.3 Ų | 48.3 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | trans | -69.8 | 137.5 | 172.6 | -172.3 | -72.5 | 0 | 0 | 0 | 111 | I1132 N1138 Y1139 L1140 | I1132-H1136 VanDerWaalsContact O-CB 3.26Å; I1132-H1136 WeakPolarHBondContact O-CB 3.37Å; I1132-H1136 PolarHBondContact O-N 3.47Å; H1136-N1138 VanDerWaalsContact C-N 3.34Å; H1136-N1138 PolarHBondContact ND1-N 3.27Å; H1136-N1138 PolarHBondContact O-N 3.31Å; H1136-N1138 VanDerWaalsContact O-N 3.15Å; H1136-Y1139 HydrophobicContact CB-CD2 4.24Å; H1136-Y1139 PolarHBondContact O-N 3.42Å; H1136-L1140 PolarHBondContact O-N 3.3Å; H1136-L1140 VanDerWaalsContact O-N 3.17Å | ||
| 1137 | S | 61.5 | Low | 58.8 | Low | 8 Ų | 8 | 44.6 Ų | 44.6 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -44.8 | -49.7 | -173.5 | 56 | 0 | 0 | 0 | 0 | 115 | Y1139 L1140 V1208 | S1137-Y1139 PolarHBondContact O-N 3.16Å; S1137-L1140 PolarHBondContact O-N 2.96Å; S1137-V1208 WeakPolarHBondContact CB-O 3.3Å |
| 1138 | N | 58.6 | Low | 60.7 | Low | 113 Ų | 113 | 39.5 Ų | 39.5 | 60% | 0.604 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.4 | -18.7 | -179.4 | -58.9 | 4.3 | 0 | 0 | 0 | 114.9 | H1136 | H1136-N1138 VanDerWaalsContact C-N 3.34Å; H1136-N1138 PolarHBondContact ND1-N 3.27Å; H1136-N1138 PolarHBondContact O-N 3.31Å; H1136-N1138 VanDerWaalsContact O-N 3.15Å |
| 1139 | Y | 64.6 | Low | 62.5 | Low | 122 Ų | 122 | 37.2 Ų | 37.2 | 48% | 0.478 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -102.7 | -22.8 | 179.2 | -70.8 | -80.7 | 0 | 0 | 0 | 112.7 | L1133 H1136 S1137 A1141 K1142 S1143 | L1133-Y1139 HydrophobicContact CD2-CE2 3.96Å; L1133-Y1139 WeakPolarHBondContact O-CB 3.41Å; H1136-Y1139 HydrophobicContact CB-CD2 4.24Å; H1136-Y1139 PolarHBondContact O-N 3.42Å; S1137-Y1139 PolarHBondContact O-N 3.16Å; Y1139-A1141 PolarHBondContact O-N 3.34Å; Y1139-K1142 CarbonylContact O-C 3.55Å; Y1139-K1142 WeakPolarHBondContact O-CA 3.14Å; Y1139-K1142 PolarHBondContact O-N 2.92Å; Y1139-S1143 PolarHBondContact O-N 2.79Å; Y1139-S1143 PolarHBondContact O-OG 2.92Å |
| 1140 | L | 66 | Low | 64.3 | Low | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -24.3 | -176.1 | -140.8 | 169.6 | 0 | 0 | 0 | 113.3 | H1136 S1137 K1142 G1146 H1212 I1215 | H1136-L1140 PolarHBondContact O-N 3.3Å; H1136-L1140 VanDerWaalsContact O-N 3.17Å; S1137-L1140 PolarHBondContact O-N 2.96Å; L1140-K1142 VanDerWaalsContact C-N 3.29Å; L1140-G1146 VanDerWaalsContact CD2-CA 3.45Å; L1140-H1212 VanDerWaalsContact CD1-CD2 3.47Å; L1140-H1212 WeakPolarHBondContact CD1-CD2 3.32Å; L1140-H1212 WeakPolarHBondContact CD1-NE2 3.27Å; L1140-I1215 HydrophobicContact CD2-CD1 3.37Å |
| 1141 | A | 62.4 | Low | 65.9 | Low | 31 Ų | 31 | 30.3 Ų | 30.3 | 26% | 0.256 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 0.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I683 Y1139 | I683-A1141 HydrophobicContact CB-CB 4.43Å; Y1139-A1141 PolarHBondContact O-N 3.34Å |
| 1142 | K | 63.7 | Low | 67.6 | Low | 136 Ų | 136 | 29 Ų | 29 | 59% | 0.591 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | -21.2 | -172.3 | -65.5 | 174.6 | -177.1 | 166.4 | 0 | 113.7 | S1041 Y1042 Y1139 L1140 | S1041-K1142 CarbonylContact C-O 3.55Å; S1041-K1142 VanDerWaalsContact CA-O 3.29Å; S1041-K1142 WeakPolarHBondContact CA-O 3.47Å; S1041-K1142 PolarHBondContact OG-O 3.33Å; Y1042-K1142 PolarHBondContact N-O 3.49Å; Y1139-K1142 CarbonylContact O-C 3.55Å; Y1139-K1142 WeakPolarHBondContact O-CA 3.14Å; Y1139-K1142 PolarHBondContact O-N 2.92Å; L1140-K1142 VanDerWaalsContact C-N 3.29Å |
| 1143 | S | 68.3 | Low | 69 | Low | 14 Ų | 14 | 27 Ų | 27 | 10% | 0.098 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -103.2 | 161 | 173.6 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | L1040 Y1139 G1145 | L1040-S1143 CarbonylContact O-C 3.59Å; L1040-S1143 WeakPolarHBondContact O-CA 3.44Å; Y1139-S1143 PolarHBondContact O-N 2.79Å; Y1139-S1143 PolarHBondContact O-OG 2.92Å; S1143-G1145 PolarHBondContact O-N 2.89Å; S1143-G1145 PolarHBondContact OG-N 2.67Å |
| 1144 | C | 70.5 | Confident | 70.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 4.4 | 172.5 | -69.2 | 0 | 0 | 0 | 0 | 113.7 | L1037 L1040 G1146 L1147 | L1037-C1144 HydrophobicContact CD1-CB 3.76Å; L1037-C1144 HydrophobicContact CG-CB 4.14Å; L1037-C1144 VanDerWaalsContact O-CB 3.31Å; L1037-C1144 WeakPolarHBondContact O-CB 3.49Å; L1040-C1144 PolarHBondContact O-N 3.43Å; C1144-G1146 PolarHBondContact O-N 3.31Å; C1144-L1147 HydrophobicContact CB-CD1 4.18Å; C1144-L1147 WeakPolarHBondContact O-CB 3.45Å; C1144-L1147 PolarHBondContact O-N 3.37Å |
| 1145 | G | 72.5 | Confident | 71.4 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.6 | -31.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1135 S1143 L1147 I1148 L1149 | F1135-G1145 WeakPolarHBondContact CE1-O 3.34Å; S1143-G1145 PolarHBondContact O-N 2.89Å; S1143-G1145 PolarHBondContact OG-N 2.67Å; G1145-L1147 PolarHBondContact O-N 3.27Å; G1145-I1148 WeakPolarHBondContact O-CB 3.36Å; G1145-I1148 PolarHBondContact O-N 3.13Å; G1145-L1149 PolarHBondContact O-N 3.4Å |
| 1146 | G | 74 | Confident | 72.3 | Confident | 7 Ų | 7 | 24 Ų | 24 | 7% | 0.072 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.4 | -25.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1140 C1144 F1150 | L1140-G1146 VanDerWaalsContact CD2-CA 3.45Å; C1144-G1146 PolarHBondContact O-N 3.31Å; G1146-F1150 WeakPolarHBondContact O-CB 3.34Å; G1146-F1150 PolarHBondContact O-N 3.05Å |
| 1147 | L | 75 | Confident | 72.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -78.2 | -23.4 | 177.8 | -60.6 | 171.9 | 0 | 0 | 0 | 112.6 | P815 F816 Y1042 A1047 C1144 G1145 F1150 A1151 | P815-L1147 HydrophobicContact CG-CD2 3.93Å; F816-L1147 HydrophobicContact CE2-CD2 4.12Å; F816-L1147 HydrophobicContact CZ-CD2 4.43Å; Y1042-L1147 HydrophobicContact CE2-CD1 4.17Å; Y1042-L1147 HydrophobicContact CE2-CD2 4.22Å; Y1042-L1147 HydrophobicContact CE2-CG 4.16Å; A1047-L1147 HydrophobicContact CB-CD1 4.07Å; A1047-L1147 VanDerWaalsContact O-CD1 3.26Å; A1047-L1147 WeakPolarHBondContact O-CD1 3.47Å; C1144-L1147 HydrophobicContact CB-CD1 4.18Å; C1144-L1147 WeakPolarHBondContact O-CB 3.45Å; C1144-L1147 PolarHBondContact O-N 3.37Å; G1145-L1147 PolarHBondContact O-N 3.27Å; L1147-F1150 WeakPolarHBondContact O-CB 3.31Å; L1147-A1151 WeakPolarHBondContact O-CB 3.38Å; L1147-A1151 PolarHBondContact O-N 3.33Å; L1147-A1151 VanDerWaalsContact O-N 3.1Å |
| 1148 | I | 80.2 | Confident | 73.6 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.4 | -42.6 | 171.3 | -67.4 | 172 | 0 | 0 | 0 | 109.7 | L1037 A1038 F1077 L1081 F1135 G1145 A1151 A1152 | L1037-I1148 HydrophobicContact CB-CD1 4.47Å; L1037-I1148 HydrophobicContact CD2-CG1 4.22Å; A1038-I1148 HydrophobicContact CB-CD1 3.65Å; F1077-I1148 HydrophobicContact CE2-CG2 3.85Å; F1077-I1148 HydrophobicContact CZ-CG2 3.8Å; L1081-I1148 HydrophobicContact CD1-CG2 3.8Å; F1135-I1148 HydrophobicContact CZ-CB 4.37Å; F1135-I1148 HydrophobicContact CZ-CG2 4.08Å; G1145-I1148 WeakPolarHBondContact O-CB 3.36Å; G1145-I1148 PolarHBondContact O-N 3.13Å; I1148-A1151 PolarHBondContact O-N 3.07Å; I1148-A1152 PolarHBondContact O-N 2.73Å; I1148-A1152 VanDerWaalsContact O-N 3.07Å |
| 1149 | L | 79.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 175.3 | -169.7 | 62.7 | 0 | 0 | 0 | 112.1 | L1085 G1145 S1153 F1174 H1212 I1215 I1216 | L1085-L1149 HydrophobicContact CD1-CD1 4.25Å; G1145-L1149 PolarHBondContact O-N 3.4Å; L1149-S1153 WeakPolarHBondContact O-CB 3.28Å; L1149-S1153 PolarHBondContact O-N 3.29Å; L1149-S1153 PolarHBondContact O-OG 3.01Å; L1149-F1174 HydrophobicContact CD1-CE1 3.68Å; L1149-F1174 HydrophobicContact CD1-CZ 4.19Å; L1149-H1212 HydrophobicContact CD2-CB 4.49Å; L1149-I1215 HydrophobicContact CB-CG2 4.26Å; L1149-I1215 HydrophobicContact CD2-CB 4.48Å; L1149-I1215 HydrophobicContact CD2-CG2 3.96Å; L1149-I1215 HydrophobicContact CG-CG2 4.24Å; L1149-I1216 HydrophobicContact CD1-CD1 4.48Å; L1149-I1216 HydrophobicContact CD1-CG1 4.21Å; L1149-I1216 HydrophobicContact CD2-CD1 4.31Å; L1149-I1216 HydrophobicContact CD2-CG1 3.91Å; L1149-I1216 HydrophobicContact CG-CG1 4.02Å |
| 1150 | F | 81.1 | Confident | 75 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54.8 | -54 | 169.1 | 164.6 | -113.5 | 0 | 0 | 0 | 112.3 | P815 F816 C819 G1051 A1055 G1146 L1147 A1152 S1153 R1154 | P815-F1150 HydrophobicContact CB-CE1 4.24Å; P815-F1150 HydrophobicContact CB-CZ 4.21Å; P815-F1150 WeakPolarHBondContact O-CZ 3.48Å; F816-F1150 HydrophobicContact CB-CE2 4.48Å; F816-F1150 HydrophobicContact CD1-CB 4.38Å; F816-F1150 AromaticContact CD1-CD2 3.38Å; F816-F1150 HydrophobicContact CD1-CD2 3.38Å; F816-F1150 AromaticContact CD1-CE2 3.92Å; F816-F1150 HydrophobicContact CD1-CE2 3.92Å; F816-F1150 HydrophobicContact CD1-CG 4.14Å; F816-F1150 HydrophobicContact CE1-CB 3.59Å; F816-F1150 AromaticContact CE1-CD2 3.5Å; F816-F1150 HydrophobicContact CE1-CD2 3.5Å; F816-F1150 VanDerWaalsContact CE1-CD2 3.5Å; F816-F1150 HydrophobicContact CE1-CE2 4.42Å; F816-F1150 AromaticContact CE1-CG 3.81Å; F816-F1150 HydrophobicContact CE1-CG 3.81Å; F816-F1150 HydrophobicContact CG-CD2 4.04Å; F816-F1150 HydrophobicContact CG-CE2 4.2Å; F816-F1150 HydrophobicContact CZ-CB 3.86Å; F816-F1150 HydrophobicContact CZ-CD2 4.23Å; F816-F1150 HydrophobicContact CZ-CG 4.17Å; C819-F1150 HydrophobicContact CB-CE2 4.18Å; C819-F1150 HydrophobicContact CB-CZ 4.28Å; G1051-F1150 WeakPolarHBondContact O-CE1 3.43Å; A1055-F1150 HydrophobicContact CB-CD1 4.28Å; A1055-F1150 HydrophobicContact CB-CE1 3.64Å; A1055-F1150 HydrophobicContact CB-CZ 4.03Å; G1146-F1150 WeakPolarHBondContact O-CB 3.34Å; G1146-F1150 PolarHBondContact O-N 3.05Å; L1147-F1150 WeakPolarHBondContact O-CB 3.31Å; F1150-A1152 VanDerWaalsContact C-N 3.33Å; F1150-A1152 PolarHBondContact O-N 3.04Å; F1150-S1153 PolarHBondContact O-N 3.48Å; F1150-R1154 HydrophobicContact CD2-CG 4.36Å; F1150-R1154 HydrophobicContact CE2-CG 4.08Å; F1150-R1154 HydrophobicContact CZ-CG 4.44Å; F1150-R1154 PolarHBondContact O-N 3.39Å; F1150-R1154 VanDerWaalsContact O-N 3.08Å |
| 1151 | A | 79.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.5 | -36.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1054 A1055 I1058 L1147 I1148 | A1054-A1151 HydrophobicContact CB-CB 3.68Å; A1055-A1151 HydrophobicContact CB-CB 4.47Å; I1058-A1151 HydrophobicContact CD1-CB 3.74Å; L1147-A1151 WeakPolarHBondContact O-CB 3.38Å; L1147-A1151 PolarHBondContact O-N 3.33Å; L1147-A1151 VanDerWaalsContact O-N 3.1Å; I1148-A1151 PolarHBondContact O-N 3.07Å |
| 1152 | A | 80.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1077 L1081 I1148 F1150 R1154 L1155 | F1077-A1152 HydrophobicContact CE1-CB 4.09Å; L1081-A1152 HydrophobicContact CD1-CB 3.62Å; I1148-A1152 PolarHBondContact O-N 2.73Å; I1148-A1152 VanDerWaalsContact O-N 3.07Å; F1150-A1152 VanDerWaalsContact C-N 3.33Å; F1150-A1152 PolarHBondContact O-N 3.04Å; A1152-R1154 VanDerWaalsContact C-N 3.3Å; A1152-R1154 PolarHBondContact O-N 2.96Å; A1152-L1155 WeakPolarHBondContact O-CB 3.32Å; A1152-L1155 WeakPolarHBondContact O-CG 3.38Å; A1152-L1155 PolarHBondContact O-N 2.96Å; A1152-L1155 VanDerWaalsContact O-N 3.15Å |
| 1153 | S | 80.5 | Confident | 77 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.8 | -28.9 | -179.9 | -57.2 | 0 | 0 | 0 | 0 | 113 | L1149 F1150 L1155 T1156 S1219 | L1149-S1153 WeakPolarHBondContact O-CB 3.28Å; L1149-S1153 PolarHBondContact O-N 3.29Å; L1149-S1153 PolarHBondContact O-OG 3.01Å; F1150-S1153 PolarHBondContact O-N 3.48Å; S1153-L1155 PolarHBondContact O-N 2.98Å; S1153-T1156 PolarHBondContact O-N 2.88Å; S1153-T1156 PolarHBondContact O-OG1 2.72Å; S1153-S1219 WeakPolarHBondContact CB-OG 3.43Å; S1153-S1219 PolarHBondContact OG-OG 2.6Å |
| 1154 | R | 78.9 | Confident | 77.6 | Confident | 20 Ų | 20 | 20.2 Ų | 20.2 | 8% | 0.075 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -66.6 | -7.4 | 172.9 | -68.4 | -61.5 | -73.9 | 152.6 | 4.3 | 114.1 | A1055 T1059 F1150 A1152 T1156 N1157 S1219 D1221 | A1055-R1154 HydrophobicContact CB-CB 4.37Å; A1055-R1154 HydrophobicContact CB-CG 4.1Å; T1059-R1154 VanDerWaalsContact CG2-C 3.48Å; T1059-R1154 HydrophobicContact CG2-CB 3.99Å; T1059-R1154 WeakPolarHBondContact CG2-O 3.26Å; F1150-R1154 HydrophobicContact CD2-CG 4.36Å; F1150-R1154 HydrophobicContact CE2-CG 4.08Å; F1150-R1154 HydrophobicContact CZ-CG 4.44Å; F1150-R1154 PolarHBondContact O-N 3.39Å; F1150-R1154 VanDerWaalsContact O-N 3.08Å; A1152-R1154 VanDerWaalsContact C-N 3.3Å; A1152-R1154 PolarHBondContact O-N 2.96Å; R1154-T1156 PolarHBondContact O-N 3.01Å; R1154-T1156 VanDerWaalsContact O-N 3.12Å; R1154-N1157 VanDerWaalsContact CZ-CG 3.42Å; R1154-N1157 VanDerWaalsContact CZ-ND2 3.34Å; R1154-N1157 PolarHBondContact NE-ND2 3.27Å; R1154-N1157 PolarHBondContact NE-OD1 2.91Å; R1154-N1157 PolarHBondContact NH1-OD1 3.4Å; R1154-N1157 PolarHBondContact NH2-ND2 3.05Å; R1154-N1157 VanDerWaalsContact NH2-ND2 3.16Å; R1154-N1157 PolarHBondContact NH2-OD1 3.24Å; R1154-N1157 WeakPolarHBondContact O-CB 3.15Å; R1154-N1157 PolarHBondContact O-N 3.08Å; R1154-N1157 VanDerWaalsContact O-N 3.12Å; R1154-N1157 PolarHBondContact O-ND2 2.72Å; R1154-N1157 VanDerWaalsContact O-ND2 3.14Å; R1154-N1157 PolarHBondContact O-OD1 3.41Å; R1154-S1219 WeakPolarHBondContact CD-O 3.42Å; R1154-D1221 IonicContact CZ-OD2 3.76Å; R1154-D1221 IonicContact NH1-OD2 3.25Å; R1154-D1221 PolarHBondContact NH1-OD2 3.44Å; R1154-D1221 IonicContact NH2-OD2 3.96Å; R1154-D1221 PolarHBondContact NH2-OD2 3.46Å |
| 1155 | L | 79.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -58.2 | -22.1 | 167.8 | -73.5 | 170.4 | 0 | 0 | 0 | 112.9 | I1058 A1062 L1078 A1152 S1153 N1157 S1158 G1161 L1165 | I1058-L1155 HydrophobicContact CG2-CD1 4.21Å; I1058-L1155 HydrophobicContact CG2-CD2 3.84Å; I1058-L1155 HydrophobicContact CG2-CG 3.9Å; I1058-L1155 WeakPolarHBondContact O-CD2 3.42Å; A1062-L1155 HydrophobicContact CB-CD2 3.67Å; L1078-L1155 HydrophobicContact CD1-CD1 4.2Å; L1078-L1155 HydrophobicContact CD2-CD1 3.72Å; A1152-L1155 WeakPolarHBondContact O-CB 3.32Å; A1152-L1155 WeakPolarHBondContact O-CG 3.38Å; A1152-L1155 PolarHBondContact O-N 2.96Å; A1152-L1155 VanDerWaalsContact O-N 3.15Å; S1153-L1155 PolarHBondContact O-N 2.98Å; L1155-N1157 PolarHBondContact O-N 2.82Å; L1155-N1157 VanDerWaalsContact O-N 3.15Å; L1155-S1158 PolarHBondContact O-N 2.8Å; L1155-G1161 CarbonylContact O-C 3.55Å; L1155-G1161 WeakPolarHBondContact O-CA 3.45Å; L1155-L1165 HydrophobicContact CB-CD1 3.81Å; L1155-L1165 HydrophobicContact CB-CD2 4.5Å; L1155-L1165 HydrophobicContact CB-CG 3.92Å; L1155-L1165 HydrophobicContact CD1-CD2 3.91Å; L1155-L1165 HydrophobicContact CD1-CG 4.05Å |
| 1156 | T | 78.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -65.2 | -7.7 | 174.3 | 57.4 | 0 | 0 | 0 | 0 | 115.4 | S1153 R1154 S1158 E1162 L1165 L1220 D1221 L1228 | S1153-T1156 PolarHBondContact O-N 2.88Å; S1153-T1156 PolarHBondContact O-OG1 2.72Å; R1154-T1156 PolarHBondContact O-N 3.01Å; R1154-T1156 VanDerWaalsContact O-N 3.12Å; T1156-S1158 PolarHBondContact O-N 2.71Å; T1156-S1158 VanDerWaalsContact O-N 3.12Å; T1156-E1162 HydrophobicContact CG2-CG 4.18Å; T1156-L1165 HydrophobicContact CG2-CD1 3.88Å; T1156-L1220 HydrophobicContact CG2-CD2 3.72Å; T1156-D1221 PolarHBondContact OG1-N 2.96Å; T1156-D1221 VanDerWaalsContact OG1-N 3.15Å; T1156-L1228 HydrophobicContact CG2-CD2 4.31Å |
| 1157 | N | 76.1 | Confident | 78.6 | Confident | 32 Ų | 32 | 31.8 Ų | 31.8 | 17% | 0.171 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -66.7 | -9.3 | 175.1 | -52.1 | -6.7 | 0 | 0 | 0 | 113.9 | R1154 L1155 D1221 | R1154-N1157 VanDerWaalsContact CZ-CG 3.42Å; R1154-N1157 VanDerWaalsContact CZ-ND2 3.34Å; R1154-N1157 PolarHBondContact NE-ND2 3.27Å; R1154-N1157 PolarHBondContact NE-OD1 2.91Å; R1154-N1157 PolarHBondContact NH1-OD1 3.4Å; R1154-N1157 PolarHBondContact NH2-ND2 3.05Å; R1154-N1157 VanDerWaalsContact NH2-ND2 3.16Å; R1154-N1157 PolarHBondContact NH2-OD1 3.24Å; R1154-N1157 WeakPolarHBondContact O-CB 3.15Å; R1154-N1157 PolarHBondContact O-N 3.08Å; R1154-N1157 VanDerWaalsContact O-N 3.12Å; R1154-N1157 PolarHBondContact O-ND2 2.72Å; R1154-N1157 VanDerWaalsContact O-ND2 3.14Å; R1154-N1157 PolarHBondContact O-OD1 3.41Å; L1155-N1157 PolarHBondContact O-N 2.82Å; L1155-N1157 VanDerWaalsContact O-N 3.15Å; N1157-D1221 PolarHBondContact OD1-OD2 3.12Å |
| 1158 | S | 76.3 | Confident | 78.5 | Confident | 20 Ų | 20 | 32.8 Ų | 32.8 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -147.3 | 140.6 | -174.1 | 66.1 | 0 | 0 | 0 | 0 | 111 | L1155 T1156 V1160 G1161 E1162 | L1155-S1158 PolarHBondContact O-N 2.8Å; T1156-S1158 PolarHBondContact O-N 2.71Å; T1156-S1158 VanDerWaalsContact O-N 3.12Å; S1158-V1160 PolarHBondContact O-N 2.94Å; S1158-G1161 PolarHBondContact O-N 3.41Å; S1158-G1161 PolarHBondContact OG-N 2.86Å; S1158-G1161 VanDerWaalsContact OG-N 3.1Å; S1158-E1162 PolarHBondContact O-N 2.84Å |
| 1159 | E | 74.2 | Confident | 78.3 | Confident | 142 Ų | 142 | 36.5 Ų | 36.5 | 66% | 0.664 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -58.3 | -35.5 | 177.3 | -60 | 179 | 167.8 | 0 | 0 | 111.7 | L1163 | E1159-L1163 WeakPolarHBondContact O-CB 3.44Å; E1159-L1163 VanDerWaalsContact O-CG 3.26Å; E1159-L1163 WeakPolarHBondContact O-CG 3.2Å; E1159-L1163 PolarHBondContact O-N 3.01Å |
| 1160 | V | 78.3 | Confident | 78.2 | Confident | 64 Ų | 64 | 36.5 Ų | 36.5 | 39% | 0.388 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.3 | -42 | 175.1 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | A1062 S1158 L1163 R1164 | A1062-V1160 WeakPolarHBondContact O-CG1 3.47Å; S1158-V1160 PolarHBondContact O-N 2.94Å; V1160-L1163 PolarHBondContact O-N 2.89Å; V1160-R1164 WeakPolarHBondContact O-CG 3.33Å; V1160-R1164 PolarHBondContact O-N 3.11Å |
| 1161 | G | 77.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.7 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1155 S1158 R1164 L1165 | L1155-G1161 CarbonylContact O-C 3.55Å; L1155-G1161 WeakPolarHBondContact O-CA 3.45Å; S1158-G1161 PolarHBondContact O-N 3.41Å; S1158-G1161 PolarHBondContact OG-N 2.86Å; S1158-G1161 VanDerWaalsContact OG-N 3.1Å; G1161-R1164 PolarHBondContact O-N 3.46Å; G1161-L1165 PolarHBondContact O-N 2.84Å |
| 1162 | E | 77.8 | Confident | 78 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 169.7 | -70.6 | -161 | 160.5 | 0 | 0 | 111.2 | T1156 S1158 R1164 L1165 E1166 T1226 | T1156-E1162 HydrophobicContact CG2-CG 4.18Å; S1158-E1162 PolarHBondContact O-N 2.84Å; E1162-R1164 PolarHBondContact O-N 3.22Å; E1162-R1164 VanDerWaalsContact O-N 3.1Å; E1162-L1165 PolarHBondContact O-N 2.88Å; E1162-E1166 PolarHBondContact O-N 3.25Å; E1162-T1226 VanDerWaalsContact CD-CB 3.45Å; E1162-T1226 WeakPolarHBondContact OE1-CB 3.29Å; E1162-T1226 PolarHBondContact OE1-OG1 3.12Å; E1162-T1226 VanDerWaalsContact OE1-OG1 3.08Å; E1162-T1226 WeakPolarHBondContact OE2-CB 3.44Å; E1162-T1226 VanDerWaalsContact OE2-CG2 3.31Å; E1162-T1226 WeakPolarHBondContact OE2-CG2 3.04Å |
| 1163 | L | 79.9 | Confident | 78 | Confident | 87 Ų | 87 | 43.9 Ų | 43.9 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -13 | 175 | -71.2 | 169.1 | 0 | 0 | 0 | 113.9 | E1159 V1160 K1167 | E1159-L1163 WeakPolarHBondContact O-CB 3.44Å; E1159-L1163 VanDerWaalsContact O-CG 3.26Å; E1159-L1163 WeakPolarHBondContact O-CG 3.2Å; E1159-L1163 PolarHBondContact O-N 3.01Å; V1160-L1163 PolarHBondContact O-N 2.89Å; L1163-K1167 VanDerWaalsContact O-CD 3.27Å; L1163-K1167 WeakPolarHBondContact O-CD 3.27Å; L1163-K1167 WeakPolarHBondContact O-CG 3.49Å |
| 1164 | R | 80.1 | Confident | 78 | Confident | 37 Ų | 37 | 44 Ų | 44 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -89 | -36.9 | 167.2 | -57.6 | -41.4 | -175.9 | 121.9 | 17 | 112.5 | Y1064 F1071 V1160 G1161 E1162 K1167 S1168 | Y1064-R1164 PolarHBondContact O-NH2 2.71Å; F1071-R1164 HydrophobicContact CE2-CG 4.26Å; V1160-R1164 WeakPolarHBondContact O-CG 3.33Å; V1160-R1164 PolarHBondContact O-N 3.11Å; G1161-R1164 PolarHBondContact O-N 3.46Å; E1162-R1164 PolarHBondContact O-N 3.22Å; E1162-R1164 VanDerWaalsContact O-N 3.1Å; R1164-K1167 PolarHBondContact O-N 3.45Å; R1164-S1168 WeakPolarHBondContact O-CB 3.28Å; R1164-S1168 PolarHBondContact O-N 3.47Å; R1164-S1168 PolarHBondContact O-OG 3.14Å |
| 1165 | L | 80.3 | Confident | 78.1 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 172.9 | -77 | 176.9 | 0 | 0 | 0 | 112 | L1078 L1155 T1156 G1161 E1162 S1168 L1170 L1228 | L1078-L1165 HydrophobicContact CD2-CD2 4.46Å; L1155-L1165 HydrophobicContact CB-CD1 3.81Å; L1155-L1165 HydrophobicContact CB-CD2 4.5Å; L1155-L1165 HydrophobicContact CB-CG 3.92Å; L1155-L1165 HydrophobicContact CD1-CD2 3.91Å; L1155-L1165 HydrophobicContact CD1-CG 4.05Å; T1156-L1165 HydrophobicContact CG2-CD1 3.88Å; G1161-L1165 PolarHBondContact O-N 2.84Å; E1162-L1165 PolarHBondContact O-N 2.88Å; L1165-S1168 WeakPolarHBondContact CA-OG 3.5Å; L1165-S1168 PolarHBondContact O-N 3.22Å; L1165-S1168 PolarHBondContact O-OG 3.27Å; L1165-L1170 HydrophobicContact CD2-CB 4.21Å; L1165-L1170 HydrophobicContact CD2-CD1 4.26Å; L1165-L1228 HydrophobicContact CB-CD2 4.32Å; L1165-L1228 HydrophobicContact CD1-CD2 4.32Å |
| 1166 | E | 77.5 | Confident | 77.8 | Confident | 81 Ų | 81 | 47.6 Ų | 47.6 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 174 | -70.9 | -174.4 | 161.4 | 0 | 0 | 111.9 | E1162 S1168 | E1162-E1166 PolarHBondContact O-N 3.25Å; E1166-S1168 VanDerWaalsContact C-N 3.31Å; E1166-S1168 PolarHBondContact O-N 2.98Å |
| 1167 | K | 79.8 | Confident | 77.7 | Confident | 167 Ų | 167 | 47.9 Ų | 47.9 | 73% | 0.726 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -76.1 | -9.9 | 180 | -74.4 | 177.9 | -174.6 | 179.4 | 0 | 115.3 | L1163 R1164 | L1163-K1167 VanDerWaalsContact O-CD 3.27Å; L1163-K1167 WeakPolarHBondContact O-CD 3.27Å; L1163-K1167 WeakPolarHBondContact O-CG 3.49Å; R1164-K1167 PolarHBondContact O-N 3.45Å |
| 1168 | S | 73.1 | Confident | 77.4 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 11 | -178.1 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | R1164 L1165 E1166 L1170 | R1164-S1168 WeakPolarHBondContact O-CB 3.28Å; R1164-S1168 PolarHBondContact O-N 3.47Å; R1164-S1168 PolarHBondContact O-OG 3.14Å; L1165-S1168 WeakPolarHBondContact CA-OG 3.5Å; L1165-S1168 PolarHBondContact O-N 3.22Å; L1165-S1168 PolarHBondContact O-OG 3.27Å; E1166-S1168 VanDerWaalsContact C-N 3.31Å; E1166-S1168 PolarHBondContact O-N 2.98Å; S1168-L1170 PolarHBondContact O-N 2.87Å |
| 1169 | D | 76.7 | Confident | 76.9 | Confident | 80 Ų | 80 | 49.3 Ų | 49.3 | 43% | 0.428 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 55.3 | -5.7 | -174.9 | -72.1 | -26.7 | 0 | 0 | 0 | 116.4 | Y1171 L1172 D1173 | D1169-Y1171 PolarHBondContact O-N 3.47Å; D1169-L1172 HydrophobicContact CB-CD1 4.41Å; D1169-L1172 WeakPolarHBondContact O-CA 3.48Å; D1169-L1172 VanDerWaalsContact O-CB 3.29Å; D1169-L1172 WeakPolarHBondContact O-CB 3.49Å; D1169-L1172 PolarHBondContact O-N 3.41Å; D1169-D1173 PolarHBondContact O-N 3.04Å |
| 1170 | L | 77.5 | Confident | 76.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.2 | -29 | 179.5 | -85.9 | 170.4 | 0 | 0 | 0 | 113.8 | L1078 L1081 H1082 L1085 L1165 S1168 L1172 D1173 F1174 | L1078-L1170 HydrophobicContact CB-CD1 3.85Å; L1078-L1170 HydrophobicContact CD2-CD1 3.55Å; L1078-L1170 HydrophobicContact CG-CD1 4.25Å; L1081-L1170 HydrophobicContact CD2-CD2 3.54Å; H1082-L1170 HydrophobicContact CB-CD2 3.9Å; H1082-L1170 HydrophobicContact CB-CG 4.09Å; L1085-L1170 HydrophobicContact CD1-CD2 4.3Å; L1165-L1170 HydrophobicContact CD2-CB 4.21Å; L1165-L1170 HydrophobicContact CD2-CD1 4.26Å; S1168-L1170 PolarHBondContact O-N 2.87Å; L1170-L1172 VanDerWaalsContact C-N 3.27Å; L1170-L1172 PolarHBondContact O-N 3.49Å; L1170-D1173 PolarHBondContact O-N 3.1Å; L1170-F1174 WeakPolarHBondContact O-CG 3.32Å; L1170-F1174 PolarHBondContact O-N 3.35Å |
| 1171 | Y | 78.1 | Confident | 74.5 | Confident | 66 Ų | 66 | 48 Ų | 48 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.5 | -32.5 | 175.1 | 103.7 | -94.1 | 0 | 0 | 0 | 112.3 | D1169 F1174 Q1175 L1228 | D1169-Y1171 PolarHBondContact O-N 3.47Å; Y1171-F1174 PolarHBondContact O-N 3.3Å; Y1171-Q1175 WeakPolarHBondContact O-CB 3.49Å; Y1171-Q1175 PolarHBondContact O-N 2.67Å; Y1171-L1228 HydrophobicContact CD2-CD1 3.87Å; Y1171-L1228 HydrophobicContact CG-CD1 4.22Å |
| 1172 | L | 78.2 | Confident | 72.7 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 41% | 0.408 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | 174.7 | -64.6 | 171.1 | 0 | 0 | 0 | 110.9 | D1169 L1170 Q1175 S1176 | D1169-L1172 HydrophobicContact CB-CD1 4.41Å; D1169-L1172 WeakPolarHBondContact O-CA 3.48Å; D1169-L1172 VanDerWaalsContact O-CB 3.29Å; D1169-L1172 WeakPolarHBondContact O-CB 3.49Å; D1169-L1172 PolarHBondContact O-N 3.41Å; L1170-L1172 VanDerWaalsContact C-N 3.27Å; L1170-L1172 PolarHBondContact O-N 3.49Å; L1172-Q1175 PolarHBondContact O-N 2.91Å; L1172-S1176 WeakPolarHBondContact O-CB 3.34Å; L1172-S1176 PolarHBondContact O-N 3.39Å |
| 1173 | D | 78.6 | Confident | 70.6 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.064 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -49.8 | 173 | -64.6 | -29.7 | 0 | 0 | 0 | 110.2 | H1082 L1085 D1169 L1170 Q1175 S1176 I1177 | H1082-D1173 IonicContact CE1-OD1 3.67Å; H1082-D1173 IonicContact CE1-OD2 2.72Å; H1082-D1173 PolarHBondContact CE1-OD2 2.74Å; H1082-D1173 IonicContact CG-OD2 3.1Å; H1082-D1173 IonicContact ND1-OD1 2.82Å; H1082-D1173 IonicContact ND1-OD2 4Å; H1082-D1173 PolarHBondContact ND1-OD2 3.06Å; L1085-D1173 HydrophobicContact CB-CB 4.35Å; L1085-D1173 HydrophobicContact CD1-CB 4.24Å; D1169-D1173 PolarHBondContact O-N 3.04Å; L1170-D1173 PolarHBondContact O-N 3.1Å; D1173-Q1175 VanDerWaalsContact C-N 3.33Å; D1173-Q1175 PolarHBondContact O-N 3.46Å; D1173-S1176 PolarHBondContact O-N 3.16Å; D1173-S1176 VanDerWaalsContact O-N 3.13Å; D1173-S1176 PolarHBondContact O-OG 3.28Å; D1173-I1177 WeakPolarHBondContact O-CG1 3.45Å; D1173-I1177 PolarHBondContact O-N 3.06Å |
| 1174 | F | 81.3 | Confident | 68.4 | Low | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 176.6 | -65.8 | -7.3 | 0 | 0 | 0 | 111.9 | L1085 L1149 L1170 Y1171 I1177 L1178 I1216 L1232 | L1085-F1174 HydrophobicContact CD1-CD1 4.16Å; L1085-F1174 HydrophobicContact CD1-CE1 3.84Å; L1149-F1174 HydrophobicContact CD1-CE1 3.68Å; L1149-F1174 HydrophobicContact CD1-CZ 4.19Å; L1170-F1174 WeakPolarHBondContact O-CG 3.32Å; L1170-F1174 PolarHBondContact O-N 3.35Å; Y1171-F1174 PolarHBondContact O-N 3.3Å; F1174-I1177 PolarHBondContact O-N 3.22Å; F1174-L1178 WeakPolarHBondContact O-CG 3.49Å; F1174-L1178 PolarHBondContact O-N 3.41Å; F1174-I1216 HydrophobicContact CB-CD1 4.39Å; F1174-I1216 HydrophobicContact CD1-CD1 3.82Å; F1174-I1216 HydrophobicContact CD1-CG1 4.44Å; F1174-I1216 HydrophobicContact CD2-CG2 4.36Å; F1174-I1216 HydrophobicContact CE1-CD1 4.38Å; F1174-I1216 HydrophobicContact CG-CD1 4.17Å; F1174-I1216 HydrophobicContact CG-CG2 4.39Å; F1174-L1232 HydrophobicContact CB-CD2 4.18Å |
| 1175 | Q | 80.6 | Confident | 65.9 | Low | 55 Ų | 55 | 72.5 Ų | 72.5 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 175.3 | -177 | 169.9 | -5.2 | 0 | 0 | 112.1 | Y1171 L1172 D1173 L1178 M1179 L1232 T1235 | Y1171-Q1175 WeakPolarHBondContact O-CB 3.49Å; Y1171-Q1175 PolarHBondContact O-N 2.67Å; L1172-Q1175 PolarHBondContact O-N 2.91Å; D1173-Q1175 VanDerWaalsContact C-N 3.33Å; D1173-Q1175 PolarHBondContact O-N 3.46Å; Q1175-L1178 PolarHBondContact O-N 2.65Å; Q1175-M1179 HydrophobicContact CG-CG 4.01Å; Q1175-M1179 VanDerWaalsContact O-CB 3.27Å; Q1175-M1179 WeakPolarHBondContact O-CB 3.33Å; Q1175-M1179 VanDerWaalsContact O-CG 3.24Å; Q1175-M1179 WeakPolarHBondContact O-CG 3.19Å; Q1175-M1179 PolarHBondContact O-N 2.89Å; Q1175-L1232 HydrophobicContact CB-CD2 4.38Å; Q1175-T1235 HydrophobicContact CG-CG2 4.24Å |
| 1176 | S | 74.4 | Confident | 63.4 | Low | 41 Ų | 41 | 79.2 Ų | 79.2 | 29% | 0.287 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 178 | 78.6 | 0 | 0 | 0 | 0 | 112.4 | L1089 L1172 D1173 L1178 M1179 F1180 | L1089-S1176 WeakPolarHBondContact CD1-OG 3.49Å; L1172-S1176 WeakPolarHBondContact O-CB 3.34Å; L1172-S1176 PolarHBondContact O-N 3.39Å; D1173-S1176 PolarHBondContact O-N 3.16Å; D1173-S1176 VanDerWaalsContact O-N 3.13Å; D1173-S1176 PolarHBondContact O-OG 3.28Å; S1176-L1178 VanDerWaalsContact C-N 3.29Å; S1176-L1178 PolarHBondContact O-N 2.94Å; S1176-M1179 PolarHBondContact O-N 3.15Å; S1176-F1180 PolarHBondContact O-N 3.08Å |
| 1177 | I | 75.7 | Confident | 60.8 | Low | 6 Ų | 6 | 81.1 Ų | 81.1 | 3% | 0.031 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 174 | -74.6 | 166.9 | 0 | 0 | 0 | 111.1 | L1085 L1089 D1173 F1174 F1209 H1212 A1213 I1216 | L1085-I1177 HydrophobicContact CD1-CD1 4.33Å; L1085-I1177 HydrophobicContact CD2-CD1 4.37Å; L1089-I1177 HydrophobicContact CD2-CG1 4.25Å; D1173-I1177 WeakPolarHBondContact O-CG1 3.45Å; D1173-I1177 PolarHBondContact O-N 3.06Å; F1174-I1177 PolarHBondContact O-N 3.22Å; I1177-F1209 HydrophobicContact CG1-CD1 4.44Å; I1177-F1209 HydrophobicContact CG2-CB 4.3Å; I1177-H1212 HydrophobicContact CG2-CB 3.85Å; I1177-A1213 HydrophobicContact CG2-CB 4.45Å; I1177-I1216 HydrophobicContact CD1-CD1 4.26Å; I1177-I1216 HydrophobicContact CG2-CD1 4.04Å |
| 1178 | L | 70.6 | Confident | 58.4 | Low | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -82 | -30.2 | 178.4 | -65.8 | 170.9 | 0 | 0 | 0 | 113.7 | F1174 Q1175 S1176 A1213 L1217 L1232 A1236 S1239 L1244 | F1174-L1178 WeakPolarHBondContact O-CG 3.49Å; F1174-L1178 PolarHBondContact O-N 3.41Å; Q1175-L1178 PolarHBondContact O-N 2.65Å; S1176-L1178 VanDerWaalsContact C-N 3.29Å; S1176-L1178 PolarHBondContact O-N 2.94Å; L1178-A1213 HydrophobicContact CD2-CB 3.7Å; L1178-L1217 HydrophobicContact CD1-CD2 4.37Å; L1178-L1217 HydrophobicContact CD2-CD1 4.07Å; L1178-L1217 HydrophobicContact CD2-CD2 4.4Å; L1178-L1217 HydrophobicContact CD2-CG 4.15Å; L1178-L1232 HydrophobicContact CD1-CB 4.11Å; L1178-L1232 HydrophobicContact CD1-CD2 3.86Å; L1178-A1236 HydrophobicContact CD2-CB 4.22Å; L1178-S1239 WeakPolarHBondContact O-CB 3.39Å; L1178-L1244 HydrophobicContact CD2-CD1 4.45Å; L1178-L1244 HydrophobicContact CD2-CD2 3.93Å |
| 1179 | M | 65.2 | Low | 56.1 | Low | 82 Ų | 82 | 85.5 Ų | 85.5 | 40% | 0.404 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -92.7 | 5.6 | -173.2 | -72.5 | -65.7 | -58.9 | 0 | 0 | 114.7 | Q1175 S1176 S1181 T1235 | Q1175-M1179 HydrophobicContact CG-CG 4.01Å; Q1175-M1179 VanDerWaalsContact O-CB 3.27Å; Q1175-M1179 WeakPolarHBondContact O-CB 3.33Å; Q1175-M1179 VanDerWaalsContact O-CG 3.24Å; Q1175-M1179 WeakPolarHBondContact O-CG 3.19Å; Q1175-M1179 PolarHBondContact O-N 2.89Å; S1176-M1179 PolarHBondContact O-N 3.15Å; M1179-S1181 PolarHBondContact O-N 3.04Å; M1179-T1235 HydrophobicContact CG-CG2 4.42Å; M1179-T1235 HydrophobicContact SD-CG2 4.07Å |
| 1180 | F | 57.5 | Low | 53.7 | Low | 123 Ų | 123 | 87 Ų | 87 | 54% | 0.539 | 47% | 0.472 | S | S | . | . | trans | -71.5 | 82.3 | -164.3 | -151.8 | -88.3 | 0 | 0 | 0 | 114.9 | S1176 F1209 | S1176-F1180 PolarHBondContact O-N 3.08Å; F1180-F1209 HydrophobicContact CG-CD2 4.47Å | ||
| 1181 | S | 43.8 | Very low | 51.3 | Low | 56 Ų | 56 | 96 Ų | 96 | 39% | 0.392 | 51% | 0.514 | S | S | . | . | trans | -150.8 | 137.2 | 165.9 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | M1179 | M1179-S1181 PolarHBondContact O-N 3.04Š| ||
| 1182 | S | 40.9 | Very low | 48.9 | Very low | 116 Ų | 116 | 100 Ų | 100 | 81% | 0.811 | 55% | 0.545 | S | S | * | . | trans | 56.7 | 59.9 | 158.2 | 65.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1183 | Q | 33.1 | Very low | 46.4 | Very low | 188 Ų | 188 | 105.2 Ų | 105.2 | 88% | 0.879 | 57% | 0.567 | S | S | * | * | trans | -111.5 | -7.4 | 155.3 | -69.4 | -148.5 | 5.1 | 0 | 0 | 115.3 | K1185 | Q1183-K1185 PolarHBondContact O-N 3.38Š| ||
| 1184 | L | 32.6 | Very low | 44 | Very low | 151 Ų | 151 | 111.4 Ų | 111.4 | 79% | 0.791 | 61% | 0.605 | S | S | * | * | trans | -78.4 | 45.9 | 175.8 | -83.5 | 166.4 | 0 | 0 | 0 | 114.1 | ||||
| 1185 | K | 29 | Very low | 41.5 | Very low | 196 Ų | 196 | 119.8 Ų | 119.8 | 85% | 0.852 | 64% | 0.644 | S | S | * | * | trans | -145.6 | 71.3 | 170.7 | -84.2 | -162.4 | 173.9 | -173.8 | 0 | 111.8 | Q1183 | Q1183-K1185 PolarHBondContact O-N 3.38Š| ||
| 1186 | K | 26.3 | Very low | 39.1 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 61% | 0.613 | 67% | 0.674 | S | S | * | * | trans | -152.1 | 23.7 | 167.9 | -123 | 171.1 | 179.5 | -175.6 | 0 | 117 | N1389 C1390 | K1186-N1389 WeakPolarHBondContact CE-O 3.47Å; K1186-N1389 PolarHBondContact NZ-O 3.39Å; K1186-C1390 PolarHBondContact NZ-SG 3.29Å | ||
| 1187 | S | 24 | Very low | 36.8 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | trans | -155.9 | 144.5 | 159.6 | 48.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1188 | S | 28.3 | Very low | 34.6 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | cis | -133.4 | 174.4 | -2 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1189 | N | 25.3 | Very low | 32.8 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 92% | 0.92 | 75% | 0.753 | S | S | * | * | trans | -87.3 | 120.4 | 176.2 | -78.3 | -6.8 | 0 | 0 | 0 | 111.9 | ||||
| 1190 | S | 26.6 | Very low | 31.3 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -162 | 140.4 | 151.3 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1191 | H | 27 | Very low | 30.4 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | trans | -85.8 | 138.2 | 176.7 | -70.4 | -96.5 | 0 | 0 | 0 | 112 | ||||
| 1192 | T | 27.3 | Very low | 30.2 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | -172.6 | 143.9 | 124.7 | 15.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1193 | E | 26.2 | Very low | 30.1 | Very low | 188 Ų | 188 | 150 Ų | 150 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -92.1 | 136.2 | -178.2 | -58.9 | 170.5 | 133.2 | 0 | 0 | 111.2 | ||||
| 1194 | T | 27.5 | Very low | 30.6 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 87% | 0.871 | 76% | 0.756 | S | S | * | * | trans | -147.5 | 127.6 | 149 | 34.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1195 | H | 29.8 | Very low | 31.2 | Very low | 178 Ų | 178 | 146.4 Ų | 146.4 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | -72.4 | 128.6 | 170.4 | -87.7 | -99.7 | 0 | 0 | 0 | 110.8 | ||||
| 1196 | Y | 29.8 | Very low | 32.3 | Very low | 224 Ų | 224 | 143.9 Ų | 143.9 | 88% | 0.878 | 74% | 0.741 | S | S | * | * | trans | -146.1 | 154.9 | 150.2 | -103.9 | -79.5 | 0 | 0 | 0 | 110.8 | D1198 | Y1196-D1198 PolarHBondContact O-N 3.27Š| ||
| 1197 | N | 25.8 | Very low | 33.7 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | trans | -91.5 | 101.1 | -164.9 | -64.7 | -31.3 | 0 | 0 | 0 | 113 | ||||
| 1198 | D | 29.1 | Very low | 35.6 | Very low | 117 Ų | 117 | 136 Ų | 136 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | trans | -133.1 | 95.8 | 165.2 | -78.4 | -49.7 | 0 | 0 | 0 | 110.7 | Y1196 K1202 | Y1196-D1198 PolarHBondContact O-N 3.27Å; D1198-K1202 PolarHBondContact O-NZ 3.24Å | ||
| 1199 | T | 34.6 | Very low | 37.7 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | trans | -117.8 | -15.8 | -176.8 | 50.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1200 | D | 33.8 | Very low | 40.2 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 57% | 0.572 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -87.1 | -47.1 | -175.2 | -73.2 | -30.1 | 0 | 0 | 0 | 112.8 | K1202 R1203 | D1200-K1202 VanDerWaalsContact C-N 3.33Å; D1200-K1202 PolarHBondContact O-N 3.1Å; D1200-R1203 PolarHBondContact O-N 3.39Å; D1200-R1203 IonicContact OD1-NH1 2.75Å |
| 1201 | D | 37.8 | Very low | 42.6 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -63.4 | -34.1 | -175.2 | -76.2 | -32.5 | 0 | 0 | 0 | 113.7 | R1203 N1204 | D1201-R1203 PolarHBondContact O-N 3.45Å; D1201-N1204 PolarHBondContact O-N 3.13Å |
| 1202 | K | 39.5 | Very low | 45.1 | Very low | 132 Ų | 132 | 111.6 Ų | 111.6 | 57% | 0.574 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -61.6 | -14.4 | 178.2 | -75.6 | 172.1 | -177.5 | 147.3 | 0 | 114.4 | D1198 D1200 | D1198-K1202 PolarHBondContact O-NZ 3.24Å; D1200-K1202 VanDerWaalsContact C-N 3.33Å; D1200-K1202 PolarHBondContact O-N 3.1Å |
| 1203 | R | 39.7 | Very low | 47.6 | Very low | 177 Ų | 177 | 104.6 Ų | 104.6 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -79.1 | -25.3 | 175.9 | -69.6 | -178.4 | 174.8 | 146.7 | -0.7 | 113.1 | D1200 D1201 | D1200-R1203 PolarHBondContact O-N 3.39Å; D1200-R1203 IonicContact OD1-NH1 2.75Å; D1201-R1203 PolarHBondContact O-N 3.45Å |
| 1204 | N | 42.4 | Very low | 50.4 | Low | 119 Ų | 119 | 96.1 Ų | 96.1 | 64% | 0.636 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -31.4 | -177.8 | -67.8 | -32.2 | 0 | 0 | 0 | 112.3 | D1201 Q1206 C1207 | D1201-N1204 PolarHBondContact O-N 3.13Å; N1204-Q1206 VanDerWaalsContact C-N 3.3Å; N1204-Q1206 PolarHBondContact O-N 2.82Å; N1204-C1207 PolarHBondContact O-N 2.93Å |
| 1205 | E | 46.2 | Very low | 53 | Low | 144 Ų | 144 | 89.4 Ų | 89.4 | 67% | 0.673 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -65.9 | -27.8 | -178.4 | -61.2 | -173 | 129.4 | 0 | 0 | 113.6 | C1207 | E1205-C1207 PolarHBondContact O-N 3Š|
| 1206 | Q | 50.8 | Low | 55.6 | Low | 143 Ų | 143 | 80.9 Ų | 80.9 | 67% | 0.668 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -72.9 | -6.4 | -177.7 | -63.5 | -171.2 | -2.1 | 0 | 0 | 114.6 | N1204 | N1204-Q1206 VanDerWaalsContact C-N 3.3Å; N1204-Q1206 PolarHBondContact O-N 2.82Å |
| 1207 | C | 56.4 | Low | 58.2 | Low | 50 Ų | 50 | 70.2 Ų | 70.2 | 34% | 0.338 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -117.7 | 5.2 | -171.2 | -69.8 | 0 | 0 | 0 | 0 | 114.5 | N1204 E1205 F1209 L1210 | N1204-C1207 PolarHBondContact O-N 2.93Å; E1205-C1207 PolarHBondContact O-N 3Å; C1207-F1209 VanDerWaalsContact C-N 3.29Å; C1207-F1209 PolarHBondContact O-N 3.32Å; C1207-L1210 HydrophobicContact CB-CB 4.42Å; C1207-L1210 VanDerWaalsContact O-CB 3.24Å; C1207-L1210 WeakPolarHBondContact O-CB 3.34Å; C1207-L1210 PolarHBondContact O-N 3.47Å |
| 1208 | V | 63.6 | Low | 60.9 | Low | 46 Ų | 46 | 63.6 Ų | 63.6 | 28% | 0.279 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -43.7 | -173.4 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | S1137 | S1137-V1208 WeakPolarHBondContact CB-O 3.3Š|
| 1209 | F | 73.7 | Confident | 63.4 | Low | 18 Ų | 18 | 58 Ų | 58 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 6 | -178.5 | -68.3 | -70.2 | 0 | 0 | 0 | 114.9 | V1088 L1089 Q1092 I1177 F1180 C1207 N1211 H1212 A1213 | V1088-F1209 HydrophobicContact CG1-CE1 3.87Å; V1088-F1209 HydrophobicContact CG1-CZ 4.22Å; L1089-F1209 HydrophobicContact CD2-CE1 4.15Å; L1089-F1209 HydrophobicContact CD2-CE2 4.24Å; L1089-F1209 HydrophobicContact CD2-CZ 3.84Å; Q1092-F1209 VanDerWaalsContact OE1-CZ 3.27Å; I1177-F1209 HydrophobicContact CG1-CD1 4.44Å; I1177-F1209 HydrophobicContact CG2-CB 4.3Å; F1180-F1209 HydrophobicContact CG-CD2 4.47Å; C1207-F1209 VanDerWaalsContact C-N 3.29Å; C1207-F1209 PolarHBondContact O-N 3.32Å; F1209-N1211 VanDerWaalsContact C-N 3.3Å; F1209-N1211 PolarHBondContact O-N 3.36Å; F1209-H1212 AromaticContact CD1-CE1 3.99Å; F1209-H1212 AromaticContact CD1-ND1 3.9Å; F1209-H1212 PolarHBondContact O-N 3.33Å; F1209-A1213 PolarHBondContact O-N 2.9Å |
| 1210 | L | 77.6 | Confident | 65.7 | Low | 26 Ų | 26 | 53.2 Ų | 53.2 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -38.3 | -175.2 | -175.1 | 66.2 | 0 | 0 | 0 | 112.3 | C1207 A1213 K1214 P1243 L1244 | C1207-L1210 HydrophobicContact CB-CB 4.42Å; C1207-L1210 VanDerWaalsContact O-CB 3.24Å; C1207-L1210 WeakPolarHBondContact O-CB 3.34Å; C1207-L1210 PolarHBondContact O-N 3.47Å; L1210-A1213 PolarHBondContact O-N 3.26Å; L1210-K1214 WeakPolarHBondContact O-CG 3.47Å; L1210-K1214 PolarHBondContact O-N 3.26Å; L1210-P1243 HydrophobicContact CD1-CB 4.35Å; L1210-P1243 HydrophobicContact CD1-CG 4.36Å; L1210-P1243 HydrophobicContact CD2-CB 4.03Å; L1210-P1243 HydrophobicContact CD2-CG 4.13Å; L1210-L1244 HydrophobicContact CD1-CB 3.94Å; L1210-L1244 HydrophobicContact CD1-CD1 4.42Å |
| 1211 | N | 76.3 | Confident | 67.8 | Low | 25 Ų | 25 | 48.6 Ų | 48.6 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.7 | -39.7 | 180 | -68.3 | -7 | 0 | 0 | 0 | 112 | I683 F1209 I1215 | I683-N1211 HydrophobicContact CG2-CB 3.88Å; F1209-N1211 VanDerWaalsContact C-N 3.3Å; F1209-N1211 PolarHBondContact O-N 3.36Å; N1211-I1215 WeakPolarHBondContact O-CD1 3.49Å; N1211-I1215 WeakPolarHBondContact O-CG1 3.34Å; N1211-I1215 PolarHBondContact O-N 2.99Å |
| 1212 | H | 78.8 | Confident | 69.9 | Low | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 171.9 | -54.4 | 70.4 | 0 | 0 | 0 | 110.9 | F1135 L1140 L1149 I1177 F1209 K1214 I1215 I1216 | F1135-H1212 PolarHBondContact O-CE1 3.32Å; F1135-H1212 PolarHBondContact O-NE2 3.43Å; L1140-H1212 VanDerWaalsContact CD1-CD2 3.47Å; L1140-H1212 WeakPolarHBondContact CD1-CD2 3.32Å; L1140-H1212 WeakPolarHBondContact CD1-NE2 3.27Å; L1149-H1212 HydrophobicContact CD2-CB 4.49Å; I1177-H1212 HydrophobicContact CG2-CB 3.85Å; F1209-H1212 AromaticContact CD1-CE1 3.99Å; F1209-H1212 AromaticContact CD1-ND1 3.9Å; F1209-H1212 PolarHBondContact O-N 3.33Å; H1212-K1214 PolarHBondContact O-N 3.46Å; H1212-I1215 PolarHBondContact O-N 3.06Å; H1212-I1216 WeakPolarHBondContact O-CG1 3.38Å; H1212-I1216 PolarHBondContact O-N 3.19Å |
| 1213 | A | 81.3 | Confident | 71.4 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1177 L1178 F1209 L1210 I1215 L1217 L1244 | I1177-A1213 HydrophobicContact CG2-CB 4.45Å; L1178-A1213 HydrophobicContact CD2-CB 3.7Å; F1209-A1213 PolarHBondContact O-N 2.9Å; L1210-A1213 PolarHBondContact O-N 3.26Å; A1213-I1215 PolarHBondContact O-N 3.41Å; A1213-L1217 WeakPolarHBondContact O-CB 3.28Å; A1213-L1217 VanDerWaalsContact O-CG 3.3Å; A1213-L1217 WeakPolarHBondContact O-CG 3.37Å; A1213-L1217 PolarHBondContact O-N 3.36Å; A1213-L1217 VanDerWaalsContact O-N 3.08Å; A1213-L1244 HydrophobicContact CB-CD1 3.68Å; A1213-L1244 HydrophobicContact CB-CD2 4.08Å |
| 1214 | K | 83.2 | Confident | 72.7 | Confident | 10 Ų | 10 | 32.4 Ų | 32.4 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.2 | -49.8 | 173.7 | -73.2 | -179.4 | -172.8 | 178.4 | 0 | 111.5 | I683 E684 G685 F687 L1210 H1212 S1218 Y1247 | I683-K1214 WeakPolarHBondContact O-CD 3.45Å; I683-K1214 PolarHBondContact O-NZ 3.48Å; E684-K1214 PolarHBondContact O-NZ 3.49Å; G685-K1214 PolarHBondContact O-NZ 2.73Å; F687-K1214 HydrophobicContact CD1-CB 4.33Å; L1210-K1214 WeakPolarHBondContact O-CG 3.47Å; L1210-K1214 PolarHBondContact O-N 3.26Å; H1212-K1214 PolarHBondContact O-N 3.46Å; K1214-S1218 WeakPolarHBondContact O-CB 3.38Å; K1214-S1218 PolarHBondContact O-N 3.14Å; K1214-S1218 PolarHBondContact O-OG 3Å; K1214-S1218 VanDerWaalsContact O-OG 3.09Å; K1214-Y1247 HydrophobicContact CB-CE1 3.99Å; K1214-Y1247 HydrophobicContact CB-CE2 4.14Å; K1214-Y1247 HydrophobicContact CD-CD2 4.13Å; K1214-Y1247 HydrophobicContact CD-CE2 4.02Å; K1214-Y1247 HydrophobicContact CG-CD1 4.04Å; K1214-Y1247 HydrophobicContact CG-CD2 3.83Å; K1214-Y1247 HydrophobicContact CG-CE1 3.97Å; K1214-Y1247 HydrophobicContact CG-CE2 3.72Å; K1214-Y1247 HydrophobicContact CG-CG 3.97Å; K1214-Y1247 PolarHBondContact O-OH 3.17Å |
| 1215 | I | 82.3 | Confident | 73.6 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | -175.9 | -71.9 | 168.5 | 0 | 0 | 0 | 112.4 | I683 F687 F816 L1140 L1149 N1211 H1212 A1213 S1218 S1219 | I683-I1215 HydrophobicContact CD1-CD1 4.32Å; F687-I1215 HydrophobicContact CE1-CG1 3.78Å; F687-I1215 HydrophobicContact CZ-CG1 4.26Å; F816-I1215 HydrophobicContact CE1-CG2 3.91Å; F816-I1215 HydrophobicContact CZ-CG2 4.14Å; L1140-I1215 HydrophobicContact CD2-CD1 3.37Å; L1149-I1215 HydrophobicContact CB-CG2 4.26Å; L1149-I1215 HydrophobicContact CD2-CB 4.48Å; L1149-I1215 HydrophobicContact CD2-CG2 3.96Å; L1149-I1215 HydrophobicContact CG-CG2 4.24Å; N1211-I1215 WeakPolarHBondContact O-CD1 3.49Å; N1211-I1215 WeakPolarHBondContact O-CG1 3.34Å; N1211-I1215 PolarHBondContact O-N 2.99Å; H1212-I1215 PolarHBondContact O-N 3.06Å; A1213-I1215 PolarHBondContact O-N 3.41Å; I1215-S1218 PolarHBondContact O-OG 3.23Å; I1215-S1219 WeakPolarHBondContact O-CB 3.39Å; I1215-S1219 PolarHBondContact O-N 3.06Å; I1215-S1219 PolarHBondContact O-OG 3.38Å |
| 1216 | I | 84.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -54.3 | 175.7 | -67 | 163.8 | 0 | 0 | 0 | 109.3 | L1149 F1174 I1177 H1212 S1218 S1219 L1220 | L1149-I1216 HydrophobicContact CD1-CD1 4.48Å; L1149-I1216 HydrophobicContact CD1-CG1 4.21Å; L1149-I1216 HydrophobicContact CD2-CD1 4.31Å; L1149-I1216 HydrophobicContact CD2-CG1 3.91Å; L1149-I1216 HydrophobicContact CG-CG1 4.02Å; F1174-I1216 HydrophobicContact CB-CD1 4.39Å; F1174-I1216 HydrophobicContact CD1-CD1 3.82Å; F1174-I1216 HydrophobicContact CD1-CG1 4.44Å; F1174-I1216 HydrophobicContact CD2-CG2 4.36Å; F1174-I1216 HydrophobicContact CE1-CD1 4.38Å; F1174-I1216 HydrophobicContact CG-CD1 4.17Å; F1174-I1216 HydrophobicContact CG-CG2 4.39Å; I1177-I1216 HydrophobicContact CD1-CD1 4.26Å; I1177-I1216 HydrophobicContact CG2-CD1 4.04Å; H1212-I1216 WeakPolarHBondContact O-CG1 3.38Å; H1212-I1216 PolarHBondContact O-N 3.19Å; I1216-S1218 VanDerWaalsContact C-N 3.29Å; I1216-S1218 PolarHBondContact O-N 3.32Å; I1216-S1219 PolarHBondContact O-N 2.89Å; I1216-S1219 VanDerWaalsContact O-N 3.07Å; I1216-S1219 PolarHBondContact O-OG 3.45Å; I1216-L1220 WeakPolarHBondContact O-CG 3.39Å; I1216-L1220 PolarHBondContact O-N 3.42Å |
| 1217 | L | 84.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.5 | -35.8 | -177.9 | -67 | 172.1 | 0 | 0 | 0 | 112.7 | L1178 A1213 S1219 L1220 Y1222 L1233 A1236 L1244 Y1247 L1251 | L1178-L1217 HydrophobicContact CD1-CD2 4.37Å; L1178-L1217 HydrophobicContact CD2-CD1 4.07Å; L1178-L1217 HydrophobicContact CD2-CD2 4.4Å; L1178-L1217 HydrophobicContact CD2-CG 4.15Å; A1213-L1217 WeakPolarHBondContact O-CB 3.28Å; A1213-L1217 VanDerWaalsContact O-CG 3.3Å; A1213-L1217 WeakPolarHBondContact O-CG 3.37Å; A1213-L1217 PolarHBondContact O-N 3.36Å; A1213-L1217 VanDerWaalsContact O-N 3.08Å; L1217-S1219 PolarHBondContact O-N 3.43Å; L1217-L1220 HydrophobicContact CD2-CD1 4.34Å; L1217-Y1222 PolarHBondContact O-OH 3.28Å; L1217-L1233 HydrophobicContact CD2-CD1 4.26Å; L1217-A1236 HydrophobicContact CD1-CB 3.67Å; L1217-A1236 HydrophobicContact CD2-CB 4.02Å; L1217-A1236 HydrophobicContact CG-CB 4.47Å; L1217-L1244 HydrophobicContact CD1-CD1 3.78Å; L1217-Y1247 HydrophobicContact CB-CE1 4.39Å; L1217-Y1247 HydrophobicContact CD1-CD1 4.46Å; L1217-L1251 HydrophobicContact CB-CD2 3.73Å |
| 1218 | S | 82.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 8.5 | 178.3 | 73.4 | 0 | 0 | 0 | 0 | 115.1 | I688 K1214 I1215 I1216 | I688-S1218 VanDerWaalsContact CD1-CB 3.44Å; I688-S1218 WeakPolarHBondContact CD1-OG 3.46Å; K1214-S1218 WeakPolarHBondContact O-CB 3.38Å; K1214-S1218 PolarHBondContact O-N 3.14Å; K1214-S1218 PolarHBondContact O-OG 3Å; K1214-S1218 VanDerWaalsContact O-OG 3.09Å; I1215-S1218 PolarHBondContact O-OG 3.23Å; I1216-S1218 VanDerWaalsContact C-N 3.29Å; I1216-S1218 PolarHBondContact O-N 3.32Å |
| 1219 | S | 81.4 | Confident | 77.3 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | -3.5 | -178.1 | 58.2 | 0 | 0 | 0 | 0 | 115 | S1153 R1154 I1215 I1216 L1217 | S1153-S1219 WeakPolarHBondContact CB-OG 3.43Å; S1153-S1219 PolarHBondContact OG-OG 2.6Å; R1154-S1219 WeakPolarHBondContact CD-O 3.42Å; I1215-S1219 WeakPolarHBondContact O-CB 3.39Å; I1215-S1219 PolarHBondContact O-N 3.06Å; I1215-S1219 PolarHBondContact O-OG 3.38Å; I1216-S1219 PolarHBondContact O-N 2.89Å; I1216-S1219 VanDerWaalsContact O-N 3.07Å; I1216-S1219 PolarHBondContact O-OG 3.45Å; L1217-S1219 PolarHBondContact O-N 3.43Å |
| 1220 | L | 83.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -71 | 161.3 | 174.3 | -66.5 | 167.2 | 0 | 0 | 0 | 112.5 | Q823 T1156 I1216 L1217 Y1222 L1232 | Q823-L1220 PolarHBondContact NE2-O 3.03Å; T1156-L1220 HydrophobicContact CG2-CD2 3.72Å; I1216-L1220 WeakPolarHBondContact O-CG 3.39Å; I1216-L1220 PolarHBondContact O-N 3.42Å; L1217-L1220 HydrophobicContact CD2-CD1 4.34Å; L1220-Y1222 HydrophobicContact CB-CE1 4.4Å; L1220-Y1222 HydrophobicContact CB-CE2 4.04Å; L1220-L1232 HydrophobicContact CD1-CB 3.93Å; L1220-L1232 HydrophobicContact CD1-CD1 4.03Å; L1220-L1232 HydrophobicContact CD2-CD1 3.89Å |
| 1221 | D | 78.3 | Confident | 78 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 5% | 0.048 | 13% | 0.134 | C | C | . | . | trans | -95.7 | 130.7 | 166.7 | -141.5 | -70.6 | 0 | 0 | 0 | 112.5 | Q823 R1154 T1156 N1157 S1223 S1229 | Q823-D1221 VanDerWaalsContact CD-OD1 3.32Å; Q823-D1221 VanDerWaalsContact CD-OD2 3.31Å; Q823-D1221 VanDerWaalsContact CG-OD2 3.31Å; Q823-D1221 WeakPolarHBondContact CG-OD2 3.4Å; Q823-D1221 PolarHBondContact NE2-OD2 3.33Å; Q823-D1221 PolarHBondContact OE1-OD1 3.39Å; R1154-D1221 IonicContact CZ-OD2 3.76Å; R1154-D1221 IonicContact NH1-OD2 3.25Å; R1154-D1221 PolarHBondContact NH1-OD2 3.44Å; R1154-D1221 IonicContact NH2-OD2 3.96Å; R1154-D1221 PolarHBondContact NH2-OD2 3.46Å; T1156-D1221 PolarHBondContact OG1-N 2.96Å; T1156-D1221 VanDerWaalsContact OG1-N 3.15Å; N1157-D1221 PolarHBondContact OD1-OD2 3.12Å; D1221-S1223 WeakPolarHBondContact OD1-CB 3.42Å; D1221-S1223 PolarHBondContact OD1-N 3.06Å; D1221-S1223 PolarHBondContact OD1-OG 2.84Å; D1221-S1229 WeakPolarHBondContact O-CB 3.43Å; D1221-S1229 PolarHBondContact O-OG 3.02Å | ||
| 1222 | Y | 81.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -114.9 | -1.1 | -176.9 | -64.1 | -71.7 | 0 | 0 | 0 | 113.2 | L820 L1217 L1220 L1233 L1255 W1266 | L820-Y1222 HydrophobicContact CD2-CD2 4.28Å; L820-Y1222 HydrophobicContact CD2-CE2 4.34Å; L1217-Y1222 PolarHBondContact O-OH 3.28Å; L1220-Y1222 HydrophobicContact CB-CE1 4.4Å; L1220-Y1222 HydrophobicContact CB-CE2 4.04Å; Y1222-L1233 HydrophobicContact CE1-CB 4.17Å; Y1222-L1233 HydrophobicContact CE1-CD2 4.09Å; Y1222-L1233 HydrophobicContact CE1-CG 4.5Å; Y1222-L1255 HydrophobicContact CD1-CD1 4.27Å; Y1222-L1255 HydrophobicContact CD2-CD1 3.78Å; Y1222-L1255 HydrophobicContact CD2-CD2 3.47Å; Y1222-L1255 VanDerWaalsContact CD2-CD2 3.47Å; Y1222-L1255 HydrophobicContact CD2-CG 4.3Å; Y1222-L1255 HydrophobicContact CE1-CD1 4.4Å; Y1222-L1255 HydrophobicContact CE2-CD1 3.9Å; Y1222-L1255 HydrophobicContact CE2-CD2 3.93Å; Y1222-L1255 HydrophobicContact CG-CD1 3.95Å; Y1222-L1255 HydrophobicContact CG-CD2 4.18Å; Y1222-W1266 HydrophobicContact CD1-CH2 4.18Å; Y1222-W1266 HydrophobicContact CD1-CZ2 4.48Å | ||
| 1223 | S | 71.4 | Confident | 78.7 | Confident | 11 Ų | 11 | 25 Ų | 25 | 8% | 0.077 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -76.5 | -30 | -176.2 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | D1221 | D1221-S1223 WeakPolarHBondContact OD1-CB 3.42Å; D1221-S1223 PolarHBondContact OD1-N 3.06Å; D1221-S1223 PolarHBondContact OD1-OG 2.84Å |
| 1224 | H | 66.7 | Low | 78.9 | Confident | 76 Ų | 76 | 26.8 Ų | 26.8 | 35% | 0.352 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -91.5 | 162.5 | -178.8 | -67.8 | -50.3 | 0 | 0 | 0 | 112.7 | T1226 | H1224-T1226 HydrophobicContact CB-CG2 4Å; H1224-T1226 PolarHBondContact O-N 2.91Å; H1224-T1226 VanDerWaalsContact O-N 3.11Å |
| 1225 | S | 61.3 | Low | 78.9 | Confident | 100 Ų | 100 | 26.7 Ų | 26.7 | 70% | 0.699 | 14% | 0.139 | S | C | * | . | trans | -81.1 | 30.1 | 173.9 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1226 | T | 63.7 | Low | 79 | Confident | 12 Ų | 12 | 26.7 Ų | 26.7 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | trans | -69.2 | 151.6 | -177.6 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | E1162 H1224 S1229 R1230 | E1162-T1226 VanDerWaalsContact CD-CB 3.45Å; E1162-T1226 WeakPolarHBondContact OE1-CB 3.29Å; E1162-T1226 PolarHBondContact OE1-OG1 3.12Å; E1162-T1226 VanDerWaalsContact OE1-OG1 3.08Å; E1162-T1226 WeakPolarHBondContact OE2-CB 3.44Å; E1162-T1226 VanDerWaalsContact OE2-CG2 3.31Å; E1162-T1226 WeakPolarHBondContact OE2-CG2 3.04Å; H1224-T1226 HydrophobicContact CB-CG2 4Å; H1224-T1226 PolarHBondContact O-N 2.91Å; H1224-T1226 VanDerWaalsContact O-N 3.11Å; T1226-S1229 PolarHBondContact OG1-OG 3.36Å; T1226-R1230 VanDerWaalsContact O-CD 3.3Å; T1226-R1230 WeakPolarHBondContact O-CD 3.29Å; T1226-R1230 VanDerWaalsContact O-CG 3.31Å; T1226-R1230 WeakPolarHBondContact O-CG 3.47Å | ||
| 1227 | K | 71.4 | Confident | 79 | Confident | 176 Ų | 176 | 27 Ų | 27 | 77% | 0.765 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -79.2 | -35.7 | -176.2 | -67 | 178.9 | -177.1 | 173.2 | 0 | 111.6 | L1231 | K1227-L1231 WeakPolarHBondContact O-CB 3.28Å; K1227-L1231 PolarHBondContact O-N 2.89Å |
| 1228 | L | 79.1 | Confident | 79 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.7 | -48.7 | -166 | -176.6 | 57.1 | 0 | 0 | 0 | 113.1 | T1156 L1165 Y1171 R1230 L1231 L1232 | T1156-L1228 HydrophobicContact CG2-CD2 4.31Å; L1165-L1228 HydrophobicContact CB-CD2 4.32Å; L1165-L1228 HydrophobicContact CD1-CD2 4.32Å; Y1171-L1228 HydrophobicContact CD2-CD1 3.87Å; Y1171-L1228 HydrophobicContact CG-CD1 4.22Å; L1228-R1230 VanDerWaalsContact C-N 3.34Å; L1228-R1230 PolarHBondContact O-N 3.3Å; L1228-L1231 PolarHBondContact O-N 2.99Å; L1228-L1232 HydrophobicContact CD1-CD1 4.06Å; L1228-L1232 HydrophobicContact CD1-CG 4.14Å; L1228-L1232 HydrophobicContact CG-CD1 4.09Å; L1228-L1232 WeakPolarHBondContact O-CG 3.38Å; L1228-L1232 PolarHBondContact O-N 3.38Å |
| 1229 | S | 80.3 | Confident | 79 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -38 | 178.8 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | D1221 T1226 L1232 L1233 | D1221-S1229 WeakPolarHBondContact O-CB 3.43Å; D1221-S1229 PolarHBondContact O-OG 3.02Å; T1226-S1229 PolarHBondContact OG1-OG 3.36Å; S1229-L1232 PolarHBondContact O-N 3.37Å; S1229-L1233 PolarHBondContact O-N 3.04Å |
| 1230 | R | 83.6 | Confident | 78.5 | Confident | 52 Ų | 52 | 32.8 Ų | 32.8 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 173.1 | -61.7 | -175.6 | 179.8 | -146.3 | -7.3 | 111.9 | T1226 L1228 T1234 W1266 | T1226-R1230 VanDerWaalsContact O-CD 3.3Å; T1226-R1230 WeakPolarHBondContact O-CD 3.29Å; T1226-R1230 VanDerWaalsContact O-CG 3.31Å; T1226-R1230 WeakPolarHBondContact O-CG 3.47Å; L1228-R1230 VanDerWaalsContact C-N 3.34Å; L1228-R1230 PolarHBondContact O-N 3.3Å; R1230-T1234 VanDerWaalsContact O-CB 3.3Å; R1230-T1234 WeakPolarHBondContact O-CB 3.32Å; R1230-T1234 PolarHBondContact O-N 3.38Å; R1230-T1234 PolarHBondContact O-OG1 3Å; R1230-W1266 HydrophobicContact CB-CE3 4.24Å; R1230-W1266 HydrophobicContact CB-CH2 4.27Å; R1230-W1266 HydrophobicContact CB-CZ3 3.97Å; R1230-W1266 HydrophobicContact CG-CD2 4.19Å; R1230-W1266 HydrophobicContact CG-CE3 4.09Å; R1230-W1266 HydrophobicContact CG-CH2 3.79Å; R1230-W1266 HydrophobicContact CG-CZ2 3.88Å; R1230-W1266 HydrophobicContact CG-CZ3 3.89Å; R1230-W1266 VanDerWaalsContact NH1-CD1 3.34Å |
| 1231 | L | 82.9 | Confident | 78.4 | Confident | 72 Ų | 72 | 33.7 Ų | 33.7 | 38% | 0.377 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 175.5 | 178.6 | 63.1 | 0 | 0 | 0 | 111.4 | K1227 L1228 T1234 T1235 | K1227-L1231 WeakPolarHBondContact O-CB 3.28Å; K1227-L1231 PolarHBondContact O-N 2.89Å; L1228-L1231 PolarHBondContact O-N 2.99Å; L1231-T1234 CarbonylContact O-C 3.59Å; L1231-T1234 WeakPolarHBondContact O-CA 3.49Å; L1231-T1234 WeakPolarHBondContact O-CB 3.38Å; L1231-T1234 PolarHBondContact O-N 2.93Å; L1231-T1234 VanDerWaalsContact O-N 3.12Å; L1231-T1235 HydrophobicContact CD1-CG2 4.34Å; L1231-T1235 WeakPolarHBondContact O-CG2 3.16Å; L1231-T1235 PolarHBondContact O-N 3.28Å; L1231-T1235 PolarHBondContact O-OG1 2.84Å |
| 1232 | L | 84.2 | Confident | 78.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -37.4 | 179.9 | -68.1 | 171.1 | 0 | 0 | 0 | 112.6 | F1174 Q1175 L1178 L1220 L1228 S1229 T1234 T1235 A1236 | F1174-L1232 HydrophobicContact CB-CD2 4.18Å; Q1175-L1232 HydrophobicContact CB-CD2 4.38Å; L1178-L1232 HydrophobicContact CD1-CB 4.11Å; L1178-L1232 HydrophobicContact CD1-CD2 3.86Å; L1220-L1232 HydrophobicContact CD1-CB 3.93Å; L1220-L1232 HydrophobicContact CD1-CD1 4.03Å; L1220-L1232 HydrophobicContact CD2-CD1 3.89Å; L1228-L1232 HydrophobicContact CD1-CD1 4.06Å; L1228-L1232 HydrophobicContact CD1-CG 4.14Å; L1228-L1232 HydrophobicContact CG-CD1 4.09Å; L1228-L1232 WeakPolarHBondContact O-CG 3.38Å; L1228-L1232 PolarHBondContact O-N 3.38Å; S1229-L1232 PolarHBondContact O-N 3.37Å; L1232-T1234 VanDerWaalsContact C-N 3.33Å; L1232-T1235 WeakPolarHBondContact CA-OG1 3.44Å; L1232-T1235 PolarHBondContact O-OG1 2.91Å; L1232-A1236 PolarHBondContact O-N 3.39Å; L1232-A1236 VanDerWaalsContact O-N 3.08Å |
| 1233 | L | 86.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -38.2 | 171.2 | -165.8 | 68.6 | 0 | 0 | 0 | 111.2 | L1217 Y1222 S1229 A1236 V1237 T1248 L1251 I1252 W1266 L1270 | L1217-L1233 HydrophobicContact CD2-CD1 4.26Å; Y1222-L1233 HydrophobicContact CE1-CB 4.17Å; Y1222-L1233 HydrophobicContact CE1-CD2 4.09Å; Y1222-L1233 HydrophobicContact CE1-CG 4.5Å; S1229-L1233 PolarHBondContact O-N 3.04Å; L1233-A1236 WeakPolarHBondContact O-CB 3.36Å; L1233-A1236 PolarHBondContact O-N 3.11Å; L1233-V1237 WeakPolarHBondContact O-CG2 3.42Å; L1233-V1237 PolarHBondContact O-N 3.29Å; L1233-T1248 HydrophobicContact CD1-CG2 3.76Å; L1233-T1248 HydrophobicContact CG-CG2 4.39Å; L1233-L1251 HydrophobicContact CD1-CD2 4.34Å; L1233-I1252 HydrophobicContact CD2-CG1 4.25Å; L1233-W1266 HydrophobicContact CD2-CH2 3.72Å; L1233-W1266 HydrophobicContact CD2-CZ3 3.87Å; L1233-L1270 HydrophobicContact CD2-CD1 4.5Å |
| 1234 | T | 85.3 | Confident | 79.2 | Confident | 38 Ų | 38 | 39.5 Ų | 39.5 | 23% | 0.233 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.9 | -37.1 | 177.7 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | R1230 L1231 L1232 V1237 N1238 L1270 | R1230-T1234 VanDerWaalsContact O-CB 3.3Å; R1230-T1234 WeakPolarHBondContact O-CB 3.32Å; R1230-T1234 PolarHBondContact O-N 3.38Å; R1230-T1234 PolarHBondContact O-OG1 3Å; L1231-T1234 CarbonylContact O-C 3.59Å; L1231-T1234 WeakPolarHBondContact O-CA 3.49Å; L1231-T1234 WeakPolarHBondContact O-CB 3.38Å; L1231-T1234 PolarHBondContact O-N 2.93Å; L1231-T1234 VanDerWaalsContact O-N 3.12Å; L1232-T1234 VanDerWaalsContact C-N 3.33Å; T1234-V1237 PolarHBondContact O-N 3.41Å; T1234-N1238 WeakPolarHBondContact O-CB 3.5Å; T1234-N1238 PolarHBondContact O-N 3.43Å; T1234-N1238 PolarHBondContact O-ND2 3.07Å; T1234-L1270 HydrophobicContact CG2-CD2 4.03Å |
| 1235 | T | 83.1 | Confident | 80.2 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70 | -36.2 | 173.8 | 54.8 | 0 | 0 | 0 | 0 | 111.6 | Q1175 M1179 L1231 L1232 N1238 S1239 | Q1175-T1235 HydrophobicContact CG-CG2 4.24Å; M1179-T1235 HydrophobicContact CG-CG2 4.42Å; M1179-T1235 HydrophobicContact SD-CG2 4.07Å; L1231-T1235 HydrophobicContact CD1-CG2 4.34Å; L1231-T1235 WeakPolarHBondContact O-CG2 3.16Å; L1231-T1235 PolarHBondContact O-N 3.28Å; L1231-T1235 PolarHBondContact O-OG1 2.84Å; L1232-T1235 WeakPolarHBondContact CA-OG1 3.44Å; L1232-T1235 PolarHBondContact O-OG1 2.91Å; T1235-N1238 CarbonylContact O-C 3.24Å; T1235-N1238 PolarHBondContact O-N 3.15Å; T1235-N1238 VanDerWaalsContact O-N 3.16Å; T1235-S1239 PolarHBondContact O-N 3.48Å |
| 1236 | A | 85.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1178 L1217 L1232 L1233 N1238 S1239 L1244 T1248 | L1178-A1236 HydrophobicContact CD2-CB 4.22Å; L1217-A1236 HydrophobicContact CD1-CB 3.67Å; L1217-A1236 HydrophobicContact CD2-CB 4.02Å; L1217-A1236 HydrophobicContact CG-CB 4.47Å; L1232-A1236 PolarHBondContact O-N 3.39Å; L1232-A1236 VanDerWaalsContact O-N 3.08Å; L1233-A1236 WeakPolarHBondContact O-CB 3.36Å; L1233-A1236 PolarHBondContact O-N 3.11Å; A1236-N1238 VanDerWaalsContact C-N 3.31Å; A1236-N1238 PolarHBondContact O-N 3.37Å; A1236-S1239 WeakPolarHBondContact O-CB 3.47Å; A1236-S1239 PolarHBondContact O-N 3.47Å; A1236-S1239 PolarHBondContact O-OG 2.86Å; A1236-L1244 HydrophobicContact CB-CG 4.49Å; A1236-T1248 HydrophobicContact CB-CG2 4.38Å |
| 1237 | V | 84.2 | Confident | 82.4 | Confident | 8 Ų | 8 | 33 Ų | 33 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -36.4 | 172.1 | 168.2 | 0 | 0 | 0 | 0 | 112.3 | L1233 T1234 R1245 T1248 L1270 L1274 | L1233-V1237 WeakPolarHBondContact O-CG2 3.42Å; L1233-V1237 PolarHBondContact O-N 3.29Å; T1234-V1237 PolarHBondContact O-N 3.41Å; V1237-R1245 WeakPolarHBondContact O-CD 3.09Å; V1237-T1248 HydrophobicContact CG2-CG2 3.7Å; V1237-L1270 HydrophobicContact CG1-CD2 4.4Å; V1237-L1274 HydrophobicContact CG1-CD1 4.33Å; V1237-L1274 HydrophobicContact CG1-CD2 4.05Å; V1237-L1274 HydrophobicContact CG1-CG 3.93Å; V1237-L1274 HydrophobicContact CG2-CD1 4.04Å |
| 1238 | N | 84.1 | Confident | 83.2 | Confident | 72 Ų | 72 | 24.6 Ų | 24.6 | 39% | 0.385 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -85.6 | -5.2 | 179.4 | -63.9 | -31.4 | 0 | 0 | 0 | 114 | T1234 T1235 A1236 K1273 | T1234-N1238 WeakPolarHBondContact O-CB 3.5Å; T1234-N1238 PolarHBondContact O-N 3.43Å; T1234-N1238 PolarHBondContact O-ND2 3.07Å; T1235-N1238 CarbonylContact O-C 3.24Å; T1235-N1238 PolarHBondContact O-N 3.15Å; T1235-N1238 VanDerWaalsContact O-N 3.16Å; A1236-N1238 VanDerWaalsContact C-N 3.31Å; A1236-N1238 PolarHBondContact O-N 3.37Å; N1238-K1273 PolarHBondContact OD1-NZ 2.92Å |
| 1239 | S | 80.8 | Confident | 83.7 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | trans | -64.9 | 144.4 | -174 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | L1178 T1235 A1236 V1241 R1245 | L1178-S1239 WeakPolarHBondContact O-CB 3.39Å; T1235-S1239 PolarHBondContact O-N 3.48Å; A1236-S1239 WeakPolarHBondContact O-CB 3.47Å; A1236-S1239 PolarHBondContact O-N 3.47Å; A1236-S1239 PolarHBondContact O-OG 2.86Å; S1239-V1241 PolarHBondContact O-N 3.49Å; S1239-R1245 VanDerWaalsContact O-CD 3.32Å; S1239-R1245 WeakPolarHBondContact O-CD 3.16Å; S1239-R1245 PolarHBondContact O-NH1 3.3Å | ||
| 1240 | G | 72 | Confident | 83.9 | Confident | 47 Ų | 47 | 25.9 Ų | 25.9 | 49% | 0.485 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -63.7 | -22.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1242 R1245 | G1240-K1242 PolarHBondContact O-N 2.77Å; G1240-R1245 PolarHBondContact O-NH1 2.86Å; G1240-R1245 VanDerWaalsContact O-NH1 3.13Å |
| 1241 | V | 81.3 | Confident | 84.1 | Confident | 20 Ų | 20 | 23.4 Ų | 23.4 | 12% | 0.121 | 13% | 0.132 | C | C | . | . | trans | -78.5 | 100.4 | -169.9 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | S1239 P1243 L1244 R1245 | S1239-V1241 PolarHBondContact O-N 3.49Å; V1241-P1243 HydrophobicContact CG1-CG 3.8Å; V1241-L1244 HydrophobicContact CB-CB 4.05Å; V1241-L1244 HydrophobicContact CG1-CB 3.95Å; V1241-L1244 WeakPolarHBondContact O-CB 3.43Å; V1241-L1244 PolarHBondContact O-N 2.95Å; V1241-R1245 PolarHBondContact O-N 2.69Å | ||
| 1242 | K | 82.9 | Confident | 84.4 | Confident | 89 Ų | 89 | 20 Ų | 20 | 39% | 0.387 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -47.1 | -47.7 | 179.6 | -180 | 160.7 | 177.4 | 156.3 | 0 | 115.7 | G1240 L1244 R1245 M1246 S1279 I1282 | G1240-K1242 PolarHBondContact O-N 2.77Å; K1242-L1244 VanDerWaalsContact C-N 3.33Å; K1242-L1244 PolarHBondContact O-N 3.13Å; K1242-R1245 PolarHBondContact O-N 3.49Å; K1242-M1246 PolarHBondContact O-N 3.49Å; K1242-M1246 VanDerWaalsContact O-N 3.16Å; K1242-S1279 WeakPolarHBondContact CE-OG 3.46Å; K1242-S1279 PolarHBondContact NZ-OG 2.83Å; K1242-I1282 HydrophobicContact CG-CD1 4.14Å |
| 1243 | P | 81.2 | Confident | 84.4 | Confident | 49 Ų | 49 | 21.7 Ų | 21.7 | 32% | 0.318 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -68.7 | -28 | 178.3 | 24.6 | -32.8 | 0 | 0 | 0 | 113.6 | L1210 V1241 M1246 Y1247 | L1210-P1243 HydrophobicContact CD1-CB 4.35Å; L1210-P1243 HydrophobicContact CD1-CG 4.36Å; L1210-P1243 HydrophobicContact CD2-CB 4.03Å; L1210-P1243 HydrophobicContact CD2-CG 4.13Å; V1241-P1243 HydrophobicContact CG1-CG 3.8Å; P1243-M1246 PolarHBondContact O-N 3.15Å; P1243-Y1247 PolarHBondContact O-N 3.06Å |
| 1244 | L | 84.1 | Confident | 84.2 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68 | -41.8 | 175.1 | -179.8 | 55.3 | 0 | 0 | 0 | 111 | L1178 L1210 A1213 L1217 A1236 V1241 K1242 M1246 Y1247 T1248 | L1178-L1244 HydrophobicContact CD2-CD1 4.45Å; L1178-L1244 HydrophobicContact CD2-CD2 3.93Å; L1210-L1244 HydrophobicContact CD1-CB 3.94Å; L1210-L1244 HydrophobicContact CD1-CD1 4.42Å; A1213-L1244 HydrophobicContact CB-CD1 3.68Å; A1213-L1244 HydrophobicContact CB-CD2 4.08Å; L1217-L1244 HydrophobicContact CD1-CD1 3.78Å; A1236-L1244 HydrophobicContact CB-CG 4.49Å; V1241-L1244 HydrophobicContact CB-CB 4.05Å; V1241-L1244 HydrophobicContact CG1-CB 3.95Å; V1241-L1244 WeakPolarHBondContact O-CB 3.43Å; V1241-L1244 PolarHBondContact O-N 2.95Å; K1242-L1244 VanDerWaalsContact C-N 3.33Å; K1242-L1244 PolarHBondContact O-N 3.13Å; L1244-M1246 VanDerWaalsContact C-N 3.33Å; L1244-M1246 PolarHBondContact O-N 3.39Å; L1244-Y1247 PolarHBondContact O-N 3.49Å; L1244-T1248 WeakPolarHBondContact O-CB 3.29Å; L1244-T1248 PolarHBondContact O-N 3.01Å; L1244-T1248 PolarHBondContact O-OG1 2.84Å |
| 1245 | R | 87.9 | Confident | 84.3 | Confident | 25 Ų | 25 | 19.9 Ų | 19.9 | 9% | 0.094 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 174.1 | -58 | -152.3 | -60.1 | -83 | 10.5 | 112.5 | V1237 S1239 G1240 V1241 K1242 T1248 I1249 D1277 I1282 | V1237-R1245 WeakPolarHBondContact O-CD 3.09Å; S1239-R1245 VanDerWaalsContact O-CD 3.32Å; S1239-R1245 WeakPolarHBondContact O-CD 3.16Å; S1239-R1245 PolarHBondContact O-NH1 3.3Å; G1240-R1245 PolarHBondContact O-NH1 2.86Å; G1240-R1245 VanDerWaalsContact O-NH1 3.13Å; V1241-R1245 PolarHBondContact O-N 2.69Å; K1242-R1245 PolarHBondContact O-N 3.49Å; R1245-T1248 PolarHBondContact O-N 2.99Å; R1245-I1249 PolarHBondContact O-N 2.75Å; R1245-I1249 VanDerWaalsContact O-N 3.09Å; R1245-D1277 IonicContact CZ-OD1 2.75Å; R1245-D1277 IonicContact CZ-OD2 3.46Å; R1245-D1277 VanDerWaalsContact CZ-OD2 3.23Å; R1245-D1277 IonicContact NE-OD2 2.69Å; R1245-D1277 PolarHBondContact NE-OD2 3.11Å; R1245-D1277 VanDerWaalsContact NH2-CG 3.32Å; R1245-D1277 IonicContact NH2-OD1 2.68Å; R1245-D1277 PolarHBondContact NH2-OD1 3.27Å; R1245-D1277 IonicContact NH2-OD2 3.55Å; R1245-D1277 PolarHBondContact NH2-OD2 3.46Å; R1245-I1282 HydrophobicContact CB-CD1 3.75Å |
| 1246 | M | 84.7 | Confident | 84.3 | Confident | 21 Ų | 21 | 19.7 Ų | 19.7 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 173.3 | -72.7 | 177.6 | 158.9 | 0 | 0 | 112.7 | K1242 P1243 L1244 T1248 I1249 R1250 K1281 I1282 L1285 | K1242-M1246 PolarHBondContact O-N 3.49Å; K1242-M1246 VanDerWaalsContact O-N 3.16Å; P1243-M1246 PolarHBondContact O-N 3.15Å; L1244-M1246 VanDerWaalsContact C-N 3.33Å; L1244-M1246 PolarHBondContact O-N 3.39Å; M1246-T1248 VanDerWaalsContact C-N 3.29Å; M1246-T1248 PolarHBondContact O-N 3.09Å; M1246-I1249 PolarHBondContact O-N 2.94Å; M1246-R1250 PolarHBondContact O-N 2.84Å; M1246-K1281 HydrophobicContact CE-CB 3.66Å; M1246-I1282 HydrophobicContact CE-CG1 4.11Å; M1246-I1282 HydrophobicContact CG-CG1 3.95Å; M1246-L1285 HydrophobicContact CE-CD1 4.23Å; M1246-L1285 HydrophobicContact CG-CD1 4.31Å |
| 1247 | Y | 86.6 | Confident | 84 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 2% | 0.02 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 172.9 | -179.4 | -98.3 | 0 | 0 | 0 | 111.6 | D686 F687 P689 K1214 L1217 P1243 L1244 I1249 R1250 L1251 | D686-Y1247 WeakPolarHBondContact O-CE2 3.42Å; F687-Y1247 HydrophobicContact CB-CE2 4.33Å; P689-Y1247 WeakPolarHBondContact CD-OH 3.27Å; P689-Y1247 HydrophobicContact CG-CD2 4.24Å; P689-Y1247 HydrophobicContact CG-CE2 3.62Å; K1214-Y1247 HydrophobicContact CB-CE1 3.99Å; K1214-Y1247 HydrophobicContact CB-CE2 4.14Å; K1214-Y1247 HydrophobicContact CD-CD2 4.13Å; K1214-Y1247 HydrophobicContact CD-CE2 4.02Å; K1214-Y1247 HydrophobicContact CG-CD1 4.04Å; K1214-Y1247 HydrophobicContact CG-CD2 3.83Å; K1214-Y1247 HydrophobicContact CG-CE1 3.97Å; K1214-Y1247 HydrophobicContact CG-CE2 3.72Å; K1214-Y1247 HydrophobicContact CG-CG 3.97Å; K1214-Y1247 PolarHBondContact O-OH 3.17Å; L1217-Y1247 HydrophobicContact CB-CE1 4.39Å; L1217-Y1247 HydrophobicContact CD1-CD1 4.46Å; P1243-Y1247 PolarHBondContact O-N 3.06Å; L1244-Y1247 PolarHBondContact O-N 3.49Å; Y1247-I1249 PolarHBondContact O-N 3.2Å; Y1247-R1250 CarbonylContact O-C 3.48Å; Y1247-R1250 PolarHBondContact O-N 3.02Å; Y1247-R1250 VanDerWaalsContact O-N 3.1Å; Y1247-L1251 PolarHBondContact O-N 3.15Å |
| 1248 | T | 88.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 179 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | L1233 A1236 V1237 L1244 R1245 M1246 R1250 L1251 I1252 | L1233-T1248 HydrophobicContact CD1-CG2 3.76Å; L1233-T1248 HydrophobicContact CG-CG2 4.39Å; A1236-T1248 HydrophobicContact CB-CG2 4.38Å; V1237-T1248 HydrophobicContact CG2-CG2 3.7Å; L1244-T1248 WeakPolarHBondContact O-CB 3.29Å; L1244-T1248 PolarHBondContact O-N 3.01Å; L1244-T1248 PolarHBondContact O-OG1 2.84Å; R1245-T1248 PolarHBondContact O-N 2.99Å; M1246-T1248 VanDerWaalsContact C-N 3.29Å; M1246-T1248 PolarHBondContact O-N 3.09Å; T1248-R1250 PolarHBondContact O-N 2.88Å; T1248-L1251 PolarHBondContact O-N 3.09Å; T1248-I1252 HydrophobicContact CG2-CD1 4.09Å; T1248-I1252 VanDerWaalsContact O-CG1 3.28Å; T1248-I1252 WeakPolarHBondContact O-CG1 3.32Å; T1248-I1252 PolarHBondContact O-N 3.32Å |
| 1249 | I | 88.6 | Confident | 83.3 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 171.5 | -73.7 | 169 | 0 | 0 | 0 | 111.4 | R1245 M1246 Y1247 L1251 I1252 R1253 L1274 I1282 L1285 A1286 L1289 | R1245-I1249 PolarHBondContact O-N 2.75Å; R1245-I1249 VanDerWaalsContact O-N 3.09Å; M1246-I1249 PolarHBondContact O-N 2.94Å; Y1247-I1249 PolarHBondContact O-N 3.2Å; I1249-L1251 VanDerWaalsContact C-N 3.33Å; I1249-L1251 PolarHBondContact O-N 2.76Å; I1249-I1252 PolarHBondContact O-N 2.92Å; I1249-R1253 PolarHBondContact O-N 3.4Å; I1249-L1274 HydrophobicContact CD1-CD1 4.44Å; I1249-L1274 HydrophobicContact CD1-CD2 4.41Å; I1249-L1274 HydrophobicContact CG1-CD1 3.8Å; I1249-L1274 HydrophobicContact CG1-CD2 4.46Å; I1249-I1282 HydrophobicContact CD1-CG2 3.59Å; I1249-L1285 HydrophobicContact CD1-CB 4.25Å; I1249-L1285 HydrophobicContact CG2-CB 4.37Å; I1249-A1286 HydrophobicContact CD1-CB 3.99Å; I1249-L1289 HydrophobicContact CG2-CB 4.37Å; I1249-L1289 HydrophobicContact CG2-CD2 3.96Å |
| 1250 | R | 84.9 | Confident | 83.1 | Confident | 27 Ų | 27 | 21.1 Ų | 21.1 | 10% | 0.102 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.2 | -33.2 | -179.5 | -67.1 | 177.9 | 174.5 | 173.9 | -6.6 | 111.8 | D686 P689 M1246 Y1247 T1248 R1253 L1254 A1533 D1534 | D686-R1250 WeakPolarHBondContact OD1-CD 3.41Å; D686-R1250 IonicContact OD1-CZ 3.25Å; D686-R1250 IonicContact OD1-NE 2.74Å; D686-R1250 IonicContact OD1-NH1 3.77Å; D686-R1250 PolarHBondContact OD1-NH1 2.93Å; D686-R1250 IonicContact OD2-CZ 2.89Å; D686-R1250 IonicContact OD2-NH1 3.97Å; D686-R1250 PolarHBondContact OD2-NH1 2.88Å; P689-R1250 HydrophobicContact CB-CB 3.83Å; M1246-R1250 PolarHBondContact O-N 2.84Å; Y1247-R1250 CarbonylContact O-C 3.48Å; Y1247-R1250 PolarHBondContact O-N 3.02Å; Y1247-R1250 VanDerWaalsContact O-N 3.1Å; T1248-R1250 PolarHBondContact O-N 2.88Å; R1250-R1253 WeakPolarHBondContact O-CB 3.49Å; R1250-L1254 PolarHBondContact O-N 3.34Å; R1250-A1533 VanDerWaalsContact CZ-O 3.24Å; R1250-A1533 PolarHBondContact NH1-O 2.9Å; R1250-A1533 PolarHBondContact NH2-O 3.49Å; R1250-D1534 IonicContact NH2-OD1 2.74Å; R1250-D1534 PolarHBondContact NH2-OD1 3.21Å |
| 1251 | L | 87.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.1 | -44.9 | 171.3 | -176.6 | 62.9 | 0 | 0 | 0 | 112 | P689 L820 L1217 L1233 Y1247 T1248 I1249 R1253 L1254 L1255 | P689-L1251 HydrophobicContact CG-CB 4.07Å; P689-L1251 HydrophobicContact CG-CD1 4.21Å; L820-L1251 HydrophobicContact CD1-CD1 4.49Å; L1217-L1251 HydrophobicContact CB-CD2 3.73Å; L1233-L1251 HydrophobicContact CD1-CD2 4.34Å; Y1247-L1251 PolarHBondContact O-N 3.15Å; T1248-L1251 PolarHBondContact O-N 3.09Å; I1249-L1251 VanDerWaalsContact C-N 3.33Å; I1249-L1251 PolarHBondContact O-N 2.76Å; L1251-R1253 VanDerWaalsContact C-N 3.27Å; L1251-R1253 PolarHBondContact O-N 2.85Å; L1251-L1254 WeakPolarHBondContact O-CA 3.35Å; L1251-L1254 WeakPolarHBondContact O-CB 3.48Å; L1251-L1254 PolarHBondContact O-N 2.99Å; L1251-L1255 HydrophobicContact CG-CD1 4.44Å; L1251-L1255 HydrophobicContact CG-CG 4.45Å; L1251-L1255 WeakPolarHBondContact O-CG 3.2Å; L1251-L1255 PolarHBondContact O-N 2.88Å |
| 1252 | I | 88.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 176.7 | -67.4 | 163.5 | 0 | 0 | 0 | 110.7 | L1233 T1248 I1249 L1254 L1255 F1256 V1271 L1274 L1289 | L1233-I1252 HydrophobicContact CD2-CG1 4.25Å; T1248-I1252 HydrophobicContact CG2-CD1 4.09Å; T1248-I1252 VanDerWaalsContact O-CG1 3.28Å; T1248-I1252 WeakPolarHBondContact O-CG1 3.32Å; T1248-I1252 PolarHBondContact O-N 3.32Å; I1249-I1252 PolarHBondContact O-N 2.92Å; I1252-L1254 VanDerWaalsContact C-N 3.32Å; I1252-L1254 PolarHBondContact O-N 3.49Å; I1252-L1255 PolarHBondContact O-N 3.16Å; I1252-F1256 HydrophobicContact CG2-CD2 3.73Å; I1252-F1256 HydrophobicContact CG2-CE2 3.73Å; I1252-F1256 WeakPolarHBondContact O-CD2 3.42Å; I1252-F1256 PolarHBondContact O-N 3.4Å; I1252-F1256 VanDerWaalsContact O-N 3.07Å; I1252-V1271 HydrophobicContact CD1-CG2 4.45Å; I1252-V1271 HydrophobicContact CG2-CG2 3.92Å; I1252-L1274 HydrophobicContact CD1-CD1 4.27Å; I1252-L1289 HydrophobicContact CB-CD2 4.19Å; I1252-L1289 HydrophobicContact CG2-CD2 3.95Å |
| 1253 | R | 84.5 | Confident | 83.1 | Confident | 37 Ų | 37 | 22.8 Ų | 22.8 | 14% | 0.14 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -54.1 | -46.7 | 171.4 | 178.9 | 177 | -91 | 148.7 | -1.8 | 112.2 | I1249 R1250 L1251 R1257 L1289 E1292 | I1249-R1253 PolarHBondContact O-N 3.4Å; R1250-R1253 WeakPolarHBondContact O-CB 3.49Å; L1251-R1253 VanDerWaalsContact C-N 3.27Å; L1251-R1253 PolarHBondContact O-N 2.85Å; R1253-R1257 WeakPolarHBondContact O-CG 3.29Å; R1253-R1257 PolarHBondContact O-N 2.91Å; R1253-R1257 VanDerWaalsContact O-N 3.09Å; R1253-L1289 HydrophobicContact CB-CD1 3.79Å; R1253-L1289 HydrophobicContact CG-CD1 4.25Å; R1253-E1292 IonicContact CZ-OE2 3.07Å; R1253-E1292 IonicContact NE-OE1 2.66Å; R1253-E1292 IonicContact NE-OE2 3.55Å; R1253-E1292 PolarHBondContact NE-OE2 3.26Å; R1253-E1292 IonicContact NH2-OE2 3.7Å; R1253-E1292 PolarHBondContact NH2-OE2 3.48Å |
| 1254 | L | 83 | Confident | 83.2 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.7 | -45.8 | 177.6 | 175.6 | 57.3 | 0 | 0 | 0 | 111.9 | I688 L696 L817 L820 R1250 L1251 I1252 F1256 R1257 L1258 | I688-L1254 HydrophobicContact CG2-CD2 3.84Å; L696-L1254 HydrophobicContact CD1-CD1 3.62Å; L817-L1254 HydrophobicContact CD1-CD1 4.44Å; L817-L1254 HydrophobicContact CD1-CD2 4.19Å; L820-L1254 HydrophobicContact CD1-CD2 4.32Å; R1250-L1254 PolarHBondContact O-N 3.34Å; L1251-L1254 WeakPolarHBondContact O-CA 3.35Å; L1251-L1254 WeakPolarHBondContact O-CB 3.48Å; L1251-L1254 PolarHBondContact O-N 2.99Å; I1252-L1254 VanDerWaalsContact C-N 3.32Å; I1252-L1254 PolarHBondContact O-N 3.49Å; L1254-F1256 VanDerWaalsContact C-N 3.32Å; L1254-F1256 PolarHBondContact O-N 3.37Å; L1254-R1257 PolarHBondContact O-N 3.19Å; L1254-L1258 HydrophobicContact CD1-CD1 4.2Å; L1254-L1258 HydrophobicContact CD1-CG 4.18Å; L1254-L1258 HydrophobicContact CG-CD1 4.18Å; L1254-L1258 WeakPolarHBondContact O-CG 3.5Å; L1254-L1258 PolarHBondContact O-N 3.34Å |
| 1255 | L | 86.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.3 | -40.9 | 179.9 | -63.2 | 177.2 | 0 | 0 | 0 | 112.1 | L820 Y1222 L1251 I1252 L1258 L1260 L1263 | L820-L1255 HydrophobicContact CD2-CD2 4.31Å; Y1222-L1255 HydrophobicContact CD1-CD1 4.27Å; Y1222-L1255 HydrophobicContact CD2-CD1 3.78Å; Y1222-L1255 HydrophobicContact CD2-CD2 3.47Å; Y1222-L1255 VanDerWaalsContact CD2-CD2 3.47Å; Y1222-L1255 HydrophobicContact CD2-CG 4.3Å; Y1222-L1255 HydrophobicContact CE1-CD1 4.4Å; Y1222-L1255 HydrophobicContact CE2-CD1 3.9Å; Y1222-L1255 HydrophobicContact CE2-CD2 3.93Å; Y1222-L1255 HydrophobicContact CG-CD1 3.95Å; Y1222-L1255 HydrophobicContact CG-CD2 4.18Å; L1251-L1255 HydrophobicContact CG-CD1 4.44Å; L1251-L1255 HydrophobicContact CG-CG 4.45Å; L1251-L1255 WeakPolarHBondContact O-CG 3.2Å; L1251-L1255 PolarHBondContact O-N 2.88Å; I1252-L1255 PolarHBondContact O-N 3.16Å; L1255-L1258 PolarHBondContact O-N 2.85Å; L1255-L1260 HydrophobicContact CB-CD1 4.38Å; L1255-L1260 HydrophobicContact CD2-CD1 3.8Å; L1255-L1263 VanDerWaalsContact C-CD1 3.46Å; L1255-L1263 HydrophobicContact CB-CD1 3.92Å; L1255-L1263 VanDerWaalsContact O-CD1 3.27Å; L1255-L1263 WeakPolarHBondContact O-CD1 3.42Å |
| 1256 | F | 83.5 | Confident | 83 | Confident | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.8 | -41.5 | 174.3 | -84.2 | -76.7 | 0 | 0 | 0 | 112.8 | Y699 I1252 L1254 L1258 K1259 L1263 C1267 I1268 L1293 N1299 | Y699-F1256 PolarHBondContact OH-O 3.12Å; Y699-F1256 VanDerWaalsContact OH-O 3.07Å; I1252-F1256 HydrophobicContact CG2-CD2 3.73Å; I1252-F1256 HydrophobicContact CG2-CE2 3.73Å; I1252-F1256 WeakPolarHBondContact O-CD2 3.42Å; I1252-F1256 PolarHBondContact O-N 3.4Å; I1252-F1256 VanDerWaalsContact O-N 3.07Å; L1254-F1256 VanDerWaalsContact C-N 3.32Å; L1254-F1256 PolarHBondContact O-N 3.37Å; F1256-L1258 PolarHBondContact O-N 3Å; F1256-K1259 WeakPolarHBondContact O-CA 3.33Å; F1256-K1259 PolarHBondContact O-N 2.87Å; F1256-L1263 HydrophobicContact CD1-CB 4.24Å; F1256-L1263 HydrophobicContact CD1-CD1 4.11Å; F1256-L1263 HydrophobicContact CD2-CD1 4.47Å; F1256-L1263 HydrophobicContact CE1-CB 3.75Å; F1256-L1263 HydrophobicContact CE1-CD1 4.42Å; F1256-L1263 HydrophobicContact CG-CD1 4.14Å; F1256-L1263 HydrophobicContact CZ-CB 3.92Å; F1256-C1267 HydrophobicContact CE2-CB 3.69Å; F1256-C1267 HydrophobicContact CZ-CB 3.8Å; F1256-I1268 HydrophobicContact CE1-CD1 4.45Å; F1256-I1268 HydrophobicContact CZ-CD1 3.85Å; F1256-I1268 HydrophobicContact CZ-CG1 4.31Å; F1256-L1293 HydrophobicContact CB-CD2 3.49Å; F1256-L1293 VanDerWaalsContact CB-CD2 3.49Å; F1256-L1293 HydrophobicContact CD1-CD2 3.84Å; F1256-L1293 HydrophobicContact CD2-CD1 3.73Å; F1256-L1293 HydrophobicContact CD2-CD2 3.48Å; F1256-L1293 VanDerWaalsContact CD2-CD2 3.48Å; F1256-L1293 HydrophobicContact CD2-CG 4.27Å; F1256-L1293 HydrophobicContact CE1-CD2 4.4Å; F1256-L1293 HydrophobicContact CE2-CD1 3.52Å; F1256-L1293 HydrophobicContact CE2-CD2 4.09Å; F1256-L1293 HydrophobicContact CE2-CG 4.46Å; F1256-L1293 HydrophobicContact CG-CD1 4.35Å; F1256-L1293 HydrophobicContact CG-CD2 3.33Å; F1256-L1293 HydrophobicContact CG-CG 4.47Å; F1256-L1293 HydrophobicContact CZ-CD1 3.98Å; F1256-N1299 WeakPolarHBondContact CE1-OD1 3.21Å |
| 1257 | R | 77.8 | Confident | 83.1 | Confident | 15 Ų | 15 | 23.7 Ų | 23.7 | 6% | 0.057 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.9 | -25.9 | 174.6 | -71.1 | -166 | -170 | 170.8 | 14.3 | 113.4 | C693 L696 R1253 L1254 K1259 E1292 | C693-R1257 PolarHBondContact O-NH1 2.8Å; L696-R1257 HydrophobicContact CB-CB 4.14Å; L696-R1257 HydrophobicContact CD1-CB 4.19Å; L696-R1257 WeakPolarHBondContact O-CD 3.34Å; L696-R1257 PolarHBondContact O-NH1 3.03Å; R1253-R1257 WeakPolarHBondContact O-CG 3.29Å; R1253-R1257 PolarHBondContact O-N 2.91Å; R1253-R1257 VanDerWaalsContact O-N 3.09Å; L1254-R1257 PolarHBondContact O-N 3.19Å; R1257-K1259 PolarHBondContact O-N 3.5Å; R1257-E1292 IonicContact CZ-OE1 2.99Å; R1257-E1292 IonicContact NE-OE1 3.28Å; R1257-E1292 PolarHBondContact NE-OE1 3.05Å; R1257-E1292 VanDerWaalsContact NE-OE1 3.08Å; R1257-E1292 IonicContact NH2-OE1 2.72Å; R1257-E1292 PolarHBondContact NH2-OE1 3.08Å |
| 1258 | L | 76.8 | Confident | 83.2 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -0.6 | 169.7 | -76.5 | 173.9 | 0 | 0 | 0 | 114.2 | L696 L820 A821 S824 L1254 L1255 F1256 L1260 | L696-L1258 HydrophobicContact CD1-CD2 3.49Å; L696-L1258 VanDerWaalsContact CD1-CD2 3.49Å; L696-L1258 HydrophobicContact CD1-CG 3.7Å; L696-L1258 HydrophobicContact CD2-CD2 4.47Å; L820-L1258 HydrophobicContact CB-CD1 4.07Å; A821-L1258 HydrophobicContact CB-CD2 3.58Å; S824-L1258 VanDerWaalsContact CB-O 3.23Å; S824-L1258 WeakPolarHBondContact CB-O 3.48Å; L1254-L1258 HydrophobicContact CD1-CD1 4.2Å; L1254-L1258 HydrophobicContact CD1-CG 4.18Å; L1254-L1258 HydrophobicContact CG-CD1 4.18Å; L1254-L1258 WeakPolarHBondContact O-CG 3.5Å; L1254-L1258 PolarHBondContact O-N 3.34Å; L1255-L1258 PolarHBondContact O-N 2.85Å; F1256-L1258 PolarHBondContact O-N 3Å; L1258-L1260 HydrophobicContact CB-CD2 4.11Å; L1258-L1260 HydrophobicContact CB-CG 4Å; L1258-L1260 PolarHBondContact O-N 3.15Å; L1258-L1260 VanDerWaalsContact O-N 3.15Å |
| 1259 | K | 77.3 | Confident | 83.1 | Confident | 85 Ų | 85 | 27 Ų | 27 | 37% | 0.37 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 34.5 | 176.8 | -60.4 | 174.2 | -179.1 | 171.4 | 0 | 113 | D700 F1256 R1257 | D700-K1259 IonicContact OD1-NZ 3.77Å; D700-K1259 PolarHBondContact OD1-NZ 3.37Å; D700-K1259 IonicContact OD2-NZ 3.31Å; F1256-K1259 WeakPolarHBondContact O-CA 3.33Å; F1256-K1259 PolarHBondContact O-N 2.87Å; R1257-K1259 PolarHBondContact O-N 3.5Å |
| 1260 | L | 77.7 | Confident | 83.1 | Confident | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | trans | -65.2 | 144 | -178.7 | -56 | -178.3 | 0 | 0 | 0 | 111.7 | Q823 L1255 L1258 L1263 | Q823-L1260 HydrophobicContact CB-CD2 3.68Å; L1255-L1260 HydrophobicContact CB-CD1 4.38Å; L1255-L1260 HydrophobicContact CD2-CD1 3.8Å; L1258-L1260 HydrophobicContact CB-CD2 4.11Å; L1258-L1260 HydrophobicContact CB-CG 4Å; L1258-L1260 PolarHBondContact O-N 3.15Å; L1258-L1260 VanDerWaalsContact O-N 3.15Å; L1260-L1263 HydrophobicContact CB-CD1 3.84Å; L1260-L1263 HydrophobicContact CB-CD2 4.47Å; L1260-L1263 HydrophobicContact CB-CG 3.99Å | ||
| 1261 | P | 75 | Confident | 83.3 | Confident | 31 Ų | 31 | 26.4 Ų | 26.4 | 20% | 0.201 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 149.2 | -173.1 | 30.1 | -37.5 | 0 | 0 | 0 | 112.3 | L1263 | P1261-L1263 PolarHBondContact O-N 2.75Š|
| 1262 | F | 78.4 | Confident | 83.3 | Confident | 156 Ų | 156 | 27 Ų | 27 | 68% | 0.684 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 11.6 | 173.8 | -47.3 | -68.5 | 0 | 0 | 0 | 117.1 | A1264 S1265 W1266 | F1262-A1264 PolarHBondContact O-N 2.95Å; F1262-S1265 PolarHBondContact O-N 3.28Å; F1262-S1265 PolarHBondContact O-OG 2.9Å; F1262-S1265 VanDerWaalsContact O-OG 3.07Å; F1262-W1266 VanDerWaalsContact O-CD1 3.23Å; F1262-W1266 PolarHBondContact O-NE1 2.77Å |
| 1263 | L | 82.7 | Confident | 83.3 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -39.4 | 173.3 | -70.1 | 179.9 | 0 | 0 | 0 | 112.3 | L1255 F1256 L1260 P1261 S1265 W1266 C1267 | L1255-L1263 VanDerWaalsContact C-CD1 3.46Å; L1255-L1263 HydrophobicContact CB-CD1 3.92Å; L1255-L1263 VanDerWaalsContact O-CD1 3.27Å; L1255-L1263 WeakPolarHBondContact O-CD1 3.42Å; F1256-L1263 HydrophobicContact CD1-CB 4.24Å; F1256-L1263 HydrophobicContact CD1-CD1 4.11Å; F1256-L1263 HydrophobicContact CD2-CD1 4.47Å; F1256-L1263 HydrophobicContact CE1-CB 3.75Å; F1256-L1263 HydrophobicContact CE1-CD1 4.42Å; F1256-L1263 HydrophobicContact CG-CD1 4.14Å; F1256-L1263 HydrophobicContact CZ-CB 3.92Å; L1260-L1263 HydrophobicContact CB-CD1 3.84Å; L1260-L1263 HydrophobicContact CB-CD2 4.47Å; L1260-L1263 HydrophobicContact CB-CG 3.99Å; P1261-L1263 PolarHBondContact O-N 2.75Å; L1263-S1265 PolarHBondContact O-N 2.85Å; L1263-S1265 VanDerWaalsContact O-N 3.15Å; L1263-W1266 HydrophobicContact CD2-CZ2 4.07Å; L1263-W1266 PolarHBondContact O-N 3.05Å; L1263-C1267 VanDerWaalsContact O-CB 3.27Å; L1263-C1267 WeakPolarHBondContact O-CB 3.5Å; L1263-C1267 PolarHBondContact O-N 2.86Å |
| 1264 | A | 82.2 | Confident | 83.5 | Confident | 16 Ų | 16 | 30.6 Ų | 30.6 | 13% | 0.132 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.9 | -32.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1262 W1266 I1268 V1298 N1299 A1302 | F1262-A1264 PolarHBondContact O-N 2.95Å; A1264-W1266 VanDerWaalsContact C-N 3.3Å; A1264-W1266 PolarHBondContact O-N 3.46Å; A1264-I1268 VanDerWaalsContact O-CG1 3.3Å; A1264-I1268 WeakPolarHBondContact O-CG1 3.41Å; A1264-V1298 HydrophobicContact CB-CG1 4.17Å; A1264-N1299 WeakPolarHBondContact CB-OD1 3.48Å; A1264-A1302 HydrophobicContact CB-CB 4.24Å; A1264-A1302 VanDerWaalsContact O-CB 3.29Å; A1264-A1302 WeakPolarHBondContact O-CB 3.43Å |
| 1265 | S | 82.2 | Confident | 83.6 | Confident | 79 Ų | 79 | 30.6 Ų | 30.6 | 55% | 0.552 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -83.7 | 6.5 | -174.1 | 65 | 0 | 0 | 0 | 0 | 115.5 | F1262 L1263 | F1262-S1265 PolarHBondContact O-N 3.28Å; F1262-S1265 PolarHBondContact O-OG 2.9Å; F1262-S1265 VanDerWaalsContact O-OG 3.07Å; L1263-S1265 PolarHBondContact O-N 2.85Å; L1263-S1265 VanDerWaalsContact O-N 3.15Å |
| 1266 | W | 85.5 | Confident | 83.5 | Confident | 24 Ų | 24 | 34.9 Ų | 34.9 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -156.2 | -32.9 | 175.9 | 66.2 | -76 | 0 | 0 | 0 | 114.2 | Y1222 R1230 L1233 F1262 L1263 A1264 I1268 D1269 L1270 | Y1222-W1266 HydrophobicContact CD1-CH2 4.18Å; Y1222-W1266 HydrophobicContact CD1-CZ2 4.48Å; R1230-W1266 HydrophobicContact CB-CE3 4.24Å; R1230-W1266 HydrophobicContact CB-CH2 4.27Å; R1230-W1266 HydrophobicContact CB-CZ3 3.97Å; R1230-W1266 HydrophobicContact CG-CD2 4.19Å; R1230-W1266 HydrophobicContact CG-CE3 4.09Å; R1230-W1266 HydrophobicContact CG-CH2 3.79Å; R1230-W1266 HydrophobicContact CG-CZ2 3.88Å; R1230-W1266 HydrophobicContact CG-CZ3 3.89Å; R1230-W1266 VanDerWaalsContact NH1-CD1 3.34Å; L1233-W1266 HydrophobicContact CD2-CH2 3.72Å; L1233-W1266 HydrophobicContact CD2-CZ3 3.87Å; F1262-W1266 VanDerWaalsContact O-CD1 3.23Å; F1262-W1266 PolarHBondContact O-NE1 2.77Å; L1263-W1266 HydrophobicContact CD2-CZ2 4.07Å; L1263-W1266 PolarHBondContact O-N 3.05Å; A1264-W1266 VanDerWaalsContact C-N 3.3Å; A1264-W1266 PolarHBondContact O-N 3.46Å; W1266-I1268 VanDerWaalsContact C-N 3.31Å; W1266-I1268 PolarHBondContact O-N 2.89Å; W1266-D1269 PolarHBondContact O-N 3.49Å; W1266-L1270 HydrophobicContact CE3-CD1 3.81Å; W1266-L1270 HydrophobicContact CZ3-CD1 3.74Å; W1266-L1270 PolarHBondContact O-N 2.8Å |
| 1267 | C | 87.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.9 | -28.5 | 176.8 | -74.3 | 0 | 0 | 0 | 0 | 112.6 | F1256 L1263 D1269 L1270 V1271 | F1256-C1267 HydrophobicContact CE2-CB 3.69Å; F1256-C1267 HydrophobicContact CZ-CB 3.8Å; L1263-C1267 VanDerWaalsContact O-CB 3.27Å; L1263-C1267 WeakPolarHBondContact O-CB 3.5Å; L1263-C1267 PolarHBondContact O-N 2.86Å; C1267-D1269 VanDerWaalsContact C-N 3.35Å; C1267-L1270 PolarHBondContact O-N 3.12Å; C1267-V1271 WeakPolarHBondContact O-CG2 3.36Å; C1267-V1271 PolarHBondContact O-N 2.79Å |
| 1268 | I | 88.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 177.1 | -62.6 | -63.7 | 0 | 0 | 0 | 110.2 | F1256 A1264 W1266 L1270 V1271 V1272 L1293 N1299 A1302 L1303 | F1256-I1268 HydrophobicContact CE1-CD1 4.45Å; F1256-I1268 HydrophobicContact CZ-CD1 3.85Å; F1256-I1268 HydrophobicContact CZ-CG1 4.31Å; A1264-I1268 VanDerWaalsContact O-CG1 3.3Å; A1264-I1268 WeakPolarHBondContact O-CG1 3.41Å; W1266-I1268 VanDerWaalsContact C-N 3.31Å; W1266-I1268 PolarHBondContact O-N 2.89Å; I1268-L1270 VanDerWaalsContact C-N 3.31Å; I1268-L1270 PolarHBondContact O-N 3.29Å; I1268-V1271 CarbonylContact O-C 3.53Å; I1268-V1271 PolarHBondContact O-N 3.25Å; I1268-V1271 VanDerWaalsContact O-N 3.11Å; I1268-V1272 HydrophobicContact CG2-CG2 4.39Å; I1268-V1272 WeakPolarHBondContact O-CG2 3.32Å; I1268-V1272 PolarHBondContact O-N 2.85Å; I1268-L1293 HydrophobicContact CD1-CB 4.47Å; I1268-L1293 HydrophobicContact CD1-CD1 3.86Å; I1268-N1299 HydrophobicContact CD1-CB 4.18Å; I1268-A1302 HydrophobicContact CB-CB 4.43Å; I1268-A1302 HydrophobicContact CG1-CB 4.12Å; I1268-L1303 HydrophobicContact CG2-CB 4.15Å; I1268-L1303 HydrophobicContact CG2-CD1 3.9Å |
| 1269 | D | 86.4 | Confident | 84 | Confident | 74 Ų | 74 | 40.6 Ų | 40.6 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.3 | -38.4 | 176.9 | -52.4 | -16.4 | 0 | 0 | 0 | 111.8 | W1266 C1267 V1272 K1273 N1306 | W1266-D1269 PolarHBondContact O-N 3.49Å; C1267-D1269 VanDerWaalsContact C-N 3.35Å; D1269-V1272 PolarHBondContact O-N 3.25Å; D1269-K1273 WeakPolarHBondContact O-CB 3.36Å; D1269-K1273 PolarHBondContact O-N 2.9Å; D1269-N1306 PolarHBondContact OD1-ND2 3.39Å |
| 1270 | L | 87.6 | Confident | 84.2 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -39 | 173.6 | -66.1 | 178.3 | 0 | 0 | 0 | 112.1 | L1233 T1234 V1237 W1266 C1267 I1268 K1273 L1274 | L1233-L1270 HydrophobicContact CD2-CD1 4.5Å; T1234-L1270 HydrophobicContact CG2-CD2 4.03Å; V1237-L1270 HydrophobicContact CG1-CD2 4.4Å; W1266-L1270 HydrophobicContact CE3-CD1 3.81Å; W1266-L1270 HydrophobicContact CZ3-CD1 3.74Å; W1266-L1270 PolarHBondContact O-N 2.8Å; C1267-L1270 PolarHBondContact O-N 3.12Å; I1268-L1270 VanDerWaalsContact C-N 3.31Å; I1268-L1270 PolarHBondContact O-N 3.29Å; L1270-K1273 PolarHBondContact O-N 3.44Å; L1270-L1274 WeakPolarHBondContact O-CD1 3.19Å; L1270-L1274 WeakPolarHBondContact O-CG 3.47Å; L1270-L1274 PolarHBondContact O-N 2.8Å |
| 1271 | V | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.5 | -40.1 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | I1252 C1267 I1268 K1273 L1274 C1275 L1289 L1290 L1293 | I1252-V1271 HydrophobicContact CD1-CG2 4.45Å; I1252-V1271 HydrophobicContact CG2-CG2 3.92Å; C1267-V1271 WeakPolarHBondContact O-CG2 3.36Å; C1267-V1271 PolarHBondContact O-N 2.79Å; I1268-V1271 CarbonylContact O-C 3.53Å; I1268-V1271 PolarHBondContact O-N 3.25Å; I1268-V1271 VanDerWaalsContact O-N 3.11Å; V1271-K1273 VanDerWaalsContact C-N 3.31Å; V1271-K1273 PolarHBondContact O-N 3.48Å; V1271-L1274 CarbonylContact O-C 3.56Å; V1271-L1274 PolarHBondContact O-N 3.08Å; V1271-C1275 PolarHBondContact O-N 3.38Å; V1271-C1275 PolarHBondContact O-SG 2.67Å; V1271-L1289 HydrophobicContact CG2-CD2 4Å; V1271-L1290 HydrophobicContact CG1-CB 4Å; V1271-L1290 HydrophobicContact CG1-CD1 4.11Å; V1271-L1290 HydrophobicContact CG1-CG 4.49Å; V1271-L1293 HydrophobicContact CG2-CD1 4.37Å |
| 1272 | V | 88.4 | Confident | 84.7 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 172.2 | 167.2 | 0 | 0 | 0 | 0 | 110.6 | I1268 D1269 L1274 C1275 M1276 L1303 N1306 F1329 | I1268-V1272 HydrophobicContact CG2-CG2 4.39Å; I1268-V1272 WeakPolarHBondContact O-CG2 3.32Å; I1268-V1272 PolarHBondContact O-N 2.85Å; D1269-V1272 PolarHBondContact O-N 3.25Å; V1272-L1274 PolarHBondContact O-N 3.44Å; V1272-C1275 WeakPolarHBondContact O-CB 3.49Å; V1272-C1275 PolarHBondContact O-N 3.41Å; V1272-C1275 VanDerWaalsContact O-N 3.16Å; V1272-M1276 PolarHBondContact O-N 2.89Å; V1272-L1303 HydrophobicContact CG2-CD1 3.59Å; V1272-N1306 HydrophobicContact CG1-CB 4.4Å; V1272-N1306 HydrophobicContact CG2-CB 4.23Å; V1272-F1329 HydrophobicContact CG1-CB 4.23Å; V1272-F1329 HydrophobicContact CG1-CD1 3.8Å; V1272-F1329 HydrophobicContact CG1-CD2 3.91Å; V1272-F1329 HydrophobicContact CG1-CE1 4.12Å; V1272-F1329 HydrophobicContact CG1-CE2 4.22Å; V1272-F1329 HydrophobicContact CG1-CG 3.69Å; V1272-F1329 HydrophobicContact CG1-CZ 4.31Å; V1272-F1329 HydrophobicContact CG2-CD1 4.28Å; V1272-F1329 HydrophobicContact CG2-CE1 3.83Å; V1272-F1329 HydrophobicContact CG2-CZ 4.01Å |
| 1273 | K | 88.5 | Confident | 85 | Confident | 111 Ų | 111 | 38.6 Ų | 38.6 | 48% | 0.483 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 174.3 | -166.4 | 178.1 | -171.8 | -178.9 | 0 | 112.5 | N1238 D1269 L1270 V1271 C1275 M1276 | N1238-K1273 PolarHBondContact OD1-NZ 2.92Å; D1269-K1273 WeakPolarHBondContact O-CB 3.36Å; D1269-K1273 PolarHBondContact O-N 2.9Å; L1270-K1273 PolarHBondContact O-N 3.44Å; V1271-K1273 VanDerWaalsContact C-N 3.31Å; V1271-K1273 PolarHBondContact O-N 3.48Å; K1273-C1275 VanDerWaalsContact C-N 3.29Å; K1273-C1275 PolarHBondContact O-N 3.19Å; K1273-M1276 PolarHBondContact O-N 3.31Å |
| 1274 | L | 87.4 | Confident | 85 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.6 | -28.8 | 174 | -72.1 | 160.1 | 0 | 0 | 0 | 112.7 | V1237 I1249 I1252 L1270 V1271 V1272 M1276 D1277 I1282 A1286 | V1237-L1274 HydrophobicContact CG1-CD1 4.33Å; V1237-L1274 HydrophobicContact CG1-CD2 4.05Å; V1237-L1274 HydrophobicContact CG1-CG 3.93Å; V1237-L1274 HydrophobicContact CG2-CD1 4.04Å; I1249-L1274 HydrophobicContact CD1-CD1 4.44Å; I1249-L1274 HydrophobicContact CD1-CD2 4.41Å; I1249-L1274 HydrophobicContact CG1-CD1 3.8Å; I1249-L1274 HydrophobicContact CG1-CD2 4.46Å; I1252-L1274 HydrophobicContact CD1-CD1 4.27Å; L1270-L1274 WeakPolarHBondContact O-CD1 3.19Å; L1270-L1274 WeakPolarHBondContact O-CG 3.47Å; L1270-L1274 PolarHBondContact O-N 2.8Å; V1271-L1274 CarbonylContact O-C 3.56Å; V1271-L1274 PolarHBondContact O-N 3.08Å; V1272-L1274 PolarHBondContact O-N 3.44Å; L1274-M1276 PolarHBondContact O-N 2.84Å; L1274-D1277 VanDerWaalsContact O-CB 3.3Å; L1274-D1277 WeakPolarHBondContact O-CB 3.42Å; L1274-D1277 PolarHBondContact O-N 2.86Å; L1274-I1282 HydrophobicContact CD2-CG2 4.01Å; L1274-A1286 HydrophobicContact CB-CB 3.8Å |
| 1275 | C | 85.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -5.9 | 170.1 | -64.6 | 0 | 0 | 0 | 0 | 113.5 | V1271 V1272 K1273 R1283 A1286 L1287 F1329 Y1332 | V1271-C1275 PolarHBondContact O-N 3.38Å; V1271-C1275 PolarHBondContact O-SG 2.67Å; V1272-C1275 WeakPolarHBondContact O-CB 3.49Å; V1272-C1275 PolarHBondContact O-N 3.41Å; V1272-C1275 VanDerWaalsContact O-N 3.16Å; K1273-C1275 VanDerWaalsContact C-N 3.29Å; K1273-C1275 PolarHBondContact O-N 3.19Å; C1275-R1283 VanDerWaalsContact O-CD 3.31Å; C1275-R1283 WeakPolarHBondContact O-CD 3.39Å; C1275-R1283 WeakPolarHBondContact O-CG 3.22Å; C1275-A1286 VanDerWaalsContact SG-C 3.56Å; C1275-A1286 VanDerWaalsContact SG-CB 3.58Å; C1275-L1287 HydrophobicContact CB-CD2 4.3Å; C1275-F1329 HydrophobicContact CB-CD2 4.49Å; C1275-F1329 HydrophobicContact CB-CE2 3.69Å; C1275-Y1332 WeakPolarHBondContact O-CE1 3.35Å |
| 1276 | M | 83.7 | Confident | 85.2 | Confident | 89 Ų | 89 | 42.1 Ų | 42.1 | 44% | 0.438 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 13.3 | 172.9 | -58.2 | -60.1 | -71.5 | 0 | 0 | 112.9 | V1272 K1273 L1274 F1329 Y1332 | V1272-M1276 PolarHBondContact O-N 2.89Å; K1273-M1276 PolarHBondContact O-N 3.31Å; L1274-M1276 PolarHBondContact O-N 2.84Å; M1276-F1329 HydrophobicContact CG-CD2 4.26Å; M1276-F1329 HydrophobicContact SD-CD2 3.96Å; M1276-Y1332 HydrophobicContact CE-CG 4.32Å; M1276-Y1332 HydrophobicContact SD-CD1 3.54Å; M1276-Y1332 VanDerWaalsContact SD-CD1 3.54Å; M1276-Y1332 HydrophobicContact SD-CE1 4.32Å; M1276-Y1332 HydrophobicContact SD-CG 3.8Å |
| 1277 | D | 85.4 | Confident | 85.3 | Confident | 18 Ų | 18 | 41.2 Ų | 41.2 | 10% | 0.096 | 20% | 0.204 | C | C | . | . | trans | -62.3 | 142.7 | 179.5 | -167.1 | -56.8 | 0 | 0 | 0 | 112.4 | R1245 L1274 S1279 I1282 R1283 | R1245-D1277 IonicContact CZ-OD1 2.75Å; R1245-D1277 IonicContact CZ-OD2 3.46Å; R1245-D1277 VanDerWaalsContact CZ-OD2 3.23Å; R1245-D1277 IonicContact NE-OD2 2.69Å; R1245-D1277 PolarHBondContact NE-OD2 3.11Å; R1245-D1277 VanDerWaalsContact NH2-CG 3.32Å; R1245-D1277 IonicContact NH2-OD1 2.68Å; R1245-D1277 PolarHBondContact NH2-OD1 3.27Å; R1245-D1277 IonicContact NH2-OD2 3.55Å; R1245-D1277 PolarHBondContact NH2-OD2 3.46Å; L1274-D1277 VanDerWaalsContact O-CB 3.3Å; L1274-D1277 WeakPolarHBondContact O-CB 3.42Å; L1274-D1277 PolarHBondContact O-N 2.86Å; D1277-S1279 PolarHBondContact O-N 3.1Å; D1277-S1279 WeakPolarHBondContact OD1-CB 3.35Å; D1277-S1279 PolarHBondContact OD1-N 3.16Å; D1277-I1282 HydrophobicContact CB-CB 4.26Å; D1277-I1282 HydrophobicContact CB-CG2 3.96Å; D1277-I1282 WeakPolarHBondContact OD2-CD1 3.21Å; D1277-R1283 VanDerWaalsContact O-CZ 3.24Å; D1277-R1283 PolarHBondContact O-NE 2.89Å; D1277-R1283 PolarHBondContact O-NH2 3.46Å | ||
| 1278 | S | 81.6 | Confident | 85 | Confident | 109 Ų | 109 | 44 Ų | 44 | 76% | 0.762 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -58.7 | -34 | 176 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | N1280 R1283 | S1278-N1280 PolarHBondContact O-N 2.93Å; S1278-R1283 PolarHBondContact O-NH2 3.41Å |
| 1279 | S | 81.8 | Confident | 84.9 | Confident | 16 Ų | 16 | 44 Ų | 44 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | trans | -81.4 | 102 | 178 | 166.8 | 0 | 0 | 0 | 0 | 111.9 | K1242 D1277 K1281 I1282 R1283 | K1242-S1279 WeakPolarHBondContact CE-OG 3.46Å; K1242-S1279 PolarHBondContact NZ-OG 2.83Å; D1277-S1279 PolarHBondContact O-N 3.1Å; D1277-S1279 WeakPolarHBondContact OD1-CB 3.35Å; D1277-S1279 PolarHBondContact OD1-N 3.16Å; S1279-K1281 PolarHBondContact O-N 3.47Å; S1279-I1282 WeakPolarHBondContact O-CA 3.36Å; S1279-I1282 WeakPolarHBondContact O-CB 3.14Å; S1279-I1282 PolarHBondContact O-N 2.88Å; S1279-R1283 PolarHBondContact O-N 3.38Å; S1279-R1283 VanDerWaalsContact O-N 3.13Å | ||
| 1280 | N | 82.2 | Confident | 85 | Confident | 79 Ų | 79 | 40.5 Ų | 40.5 | 42% | 0.422 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -42.2 | -41 | 173.9 | -172.6 | 2.8 | 0 | 0 | 0 | 114.2 | S1278 I1282 R1283 R1284 | S1278-N1280 PolarHBondContact O-N 2.93Å; N1280-I1282 VanDerWaalsContact C-N 3.33Å; N1280-I1282 PolarHBondContact O-N 3.37Å; N1280-R1283 WeakPolarHBondContact O-CB 3.3Å; N1280-R1283 PolarHBondContact O-N 3.12Å; N1280-R1284 PolarHBondContact O-N 2.83Å; N1280-R1284 PolarHBondContact OD1-NE 3.27Å |
| 1281 | K | 77.5 | Confident | 84.8 | Confident | 100 Ų | 100 | 41.3 Ų | 41.3 | 44% | 0.435 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.8 | -33.3 | 176.4 | -66.5 | -166.5 | 178 | -173 | 0 | 114 | M1246 S1279 L1285 | M1246-K1281 HydrophobicContact CE-CB 3.66Å; S1279-K1281 PolarHBondContact O-N 3.47Å; K1281-L1285 WeakPolarHBondContact O-CG 3.34Å |
| 1282 | I | 85.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.4 | -45.7 | 174.2 | -66.9 | 174.9 | 0 | 0 | 0 | 108.8 | K1242 R1245 M1246 I1249 L1274 D1277 S1279 N1280 R1284 L1285 A1286 | K1242-I1282 HydrophobicContact CG-CD1 4.14Å; R1245-I1282 HydrophobicContact CB-CD1 3.75Å; M1246-I1282 HydrophobicContact CE-CG1 4.11Å; M1246-I1282 HydrophobicContact CG-CG1 3.95Å; I1249-I1282 HydrophobicContact CD1-CG2 3.59Å; L1274-I1282 HydrophobicContact CD2-CG2 4.01Å; D1277-I1282 HydrophobicContact CB-CB 4.26Å; D1277-I1282 HydrophobicContact CB-CG2 3.96Å; D1277-I1282 WeakPolarHBondContact OD2-CD1 3.21Å; S1279-I1282 WeakPolarHBondContact O-CA 3.36Å; S1279-I1282 WeakPolarHBondContact O-CB 3.14Å; S1279-I1282 PolarHBondContact O-N 2.88Å; N1280-I1282 VanDerWaalsContact C-N 3.33Å; N1280-I1282 PolarHBondContact O-N 3.37Å; I1282-R1284 PolarHBondContact O-N 2.81Å; I1282-L1285 PolarHBondContact O-N 3.14Å; I1282-L1285 VanDerWaalsContact O-N 3.1Å; I1282-A1286 WeakPolarHBondContact O-CB 3.37Å; I1282-A1286 PolarHBondContact O-N 3.3Å |
| 1283 | R | 85.7 | Confident | 84.2 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.3 | -47.2 | -180 | -144.7 | -173.4 | -63.2 | 165.3 | 2.5 | 113 | C1275 D1277 S1278 S1279 N1280 A1286 L1287 Y1332 | C1275-R1283 VanDerWaalsContact O-CD 3.31Å; C1275-R1283 WeakPolarHBondContact O-CD 3.39Å; C1275-R1283 WeakPolarHBondContact O-CG 3.22Å; D1277-R1283 VanDerWaalsContact O-CZ 3.24Å; D1277-R1283 PolarHBondContact O-NE 2.89Å; D1277-R1283 PolarHBondContact O-NH2 3.46Å; S1278-R1283 PolarHBondContact O-NH2 3.41Å; S1279-R1283 PolarHBondContact O-N 3.38Å; S1279-R1283 VanDerWaalsContact O-N 3.13Å; N1280-R1283 WeakPolarHBondContact O-CB 3.3Å; N1280-R1283 PolarHBondContact O-N 3.12Å; R1283-A1286 PolarHBondContact O-N 2.95Å; R1283-L1287 WeakPolarHBondContact O-CG 3.18Å; R1283-L1287 PolarHBondContact O-N 3.02Å; R1283-Y1332 WeakPolarHBondContact CD-OH 3.16Å; R1283-Y1332 HydrophobicContact CG-CE1 4.45Å |
| 1284 | R | 81.2 | Confident | 83.9 | Confident | 138 Ų | 138 | 36.5 Ų | 36.5 | 52% | 0.521 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.1 | -71 | -179.1 | 179.8 | 173.7 | -0.1 | 112.2 | N1280 I1282 A1286 L1287 C1288 D1526 | N1280-R1284 PolarHBondContact O-N 2.83Å; N1280-R1284 PolarHBondContact OD1-NE 3.27Å; I1282-R1284 PolarHBondContact O-N 2.81Å; R1284-A1286 PolarHBondContact O-N 2.82Å; R1284-L1287 PolarHBondContact O-N 2.98Å; R1284-C1288 PolarHBondContact O-N 3.09Å; R1284-C1288 PolarHBondContact O-SG 3.32Å; R1284-D1526 IonicContact NH1-OD2 3.26Å |
| 1285 | L | 81.4 | Confident | 83.4 | Confident | 34 Ų | 34 | 38.9 Ų | 38.9 | 18% | 0.178 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 176.8 | -73.1 | 171.2 | 0 | 0 | 0 | 112.4 | M1246 I1249 K1281 I1282 C1288 L1289 | M1246-L1285 HydrophobicContact CE-CD1 4.23Å; M1246-L1285 HydrophobicContact CG-CD1 4.31Å; I1249-L1285 HydrophobicContact CD1-CB 4.25Å; I1249-L1285 HydrophobicContact CG2-CB 4.37Å; K1281-L1285 WeakPolarHBondContact O-CG 3.34Å; I1282-L1285 PolarHBondContact O-N 3.14Å; I1282-L1285 VanDerWaalsContact O-N 3.1Å; L1285-C1288 PolarHBondContact O-N 2.92Å; L1285-L1289 PolarHBondContact O-N 2.92Å |
| 1286 | A | 88.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.5 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | I1249 L1274 C1275 I1282 R1283 R1284 L1289 L1290 | I1249-A1286 HydrophobicContact CD1-CB 3.99Å; L1274-A1286 HydrophobicContact CB-CB 3.8Å; C1275-A1286 VanDerWaalsContact SG-C 3.56Å; C1275-A1286 VanDerWaalsContact SG-CB 3.58Å; I1282-A1286 WeakPolarHBondContact O-CB 3.37Å; I1282-A1286 PolarHBondContact O-N 3.3Å; R1283-A1286 PolarHBondContact O-N 2.95Å; R1284-A1286 PolarHBondContact O-N 2.82Å; A1286-L1289 PolarHBondContact O-N 3.3Å; A1286-L1290 WeakPolarHBondContact O-CB 3.36Å; A1286-L1290 PolarHBondContact O-N 3.49Å |
| 1287 | L | 86.7 | Confident | 82.8 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 172.8 | -72.9 | 168.5 | 0 | 0 | 0 | 112.1 | C1275 R1283 R1284 L1289 L1290 E1291 Y1332 L1333 T1338 I1341 I1345 | C1275-L1287 HydrophobicContact CB-CD2 4.3Å; R1283-L1287 WeakPolarHBondContact O-CG 3.18Å; R1283-L1287 PolarHBondContact O-N 3.02Å; R1284-L1287 PolarHBondContact O-N 2.98Å; L1287-L1289 VanDerWaalsContact C-N 3.3Å; L1287-L1289 PolarHBondContact O-N 3.24Å; L1287-L1290 PolarHBondContact O-N 3.15Å; L1287-E1291 PolarHBondContact O-N 3.27Å; L1287-Y1332 HydrophobicContact CD1-CE1 4.46Å; L1287-L1333 HydrophobicContact CD2-CD2 3.9Å; L1287-T1338 HydrophobicContact CD1-CG2 4.28Å; L1287-I1341 HydrophobicContact CB-CG2 4.42Å; L1287-I1345 HydrophobicContact CD2-CD1 3.95Å |
| 1288 | C | 83.1 | Confident | 82.8 | Confident | 58 Ų | 58 | 43.7 Ų | 43.7 | 39% | 0.392 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.5 | -31.5 | 174.7 | -67.5 | 0 | 0 | 0 | 0 | 113 | R1284 L1285 E1292 I1341 | R1284-C1288 PolarHBondContact O-N 3.09Å; R1284-C1288 PolarHBondContact O-SG 3.32Å; L1285-C1288 PolarHBondContact O-N 2.92Å; C1288-E1292 PolarHBondContact O-N 3.1Å; C1288-I1341 HydrophobicContact CB-CD1 4.46Å |
| 1289 | L | 85.3 | Confident | 83 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.6 | -47.4 | 168.4 | 173.1 | 57.7 | 0 | 0 | 0 | 110.7 | I1249 I1252 R1253 V1271 L1285 A1286 L1287 E1291 E1292 L1293 | I1249-L1289 HydrophobicContact CG2-CB 4.37Å; I1249-L1289 HydrophobicContact CG2-CD2 3.96Å; I1252-L1289 HydrophobicContact CB-CD2 4.19Å; I1252-L1289 HydrophobicContact CG2-CD2 3.95Å; R1253-L1289 HydrophobicContact CB-CD1 3.79Å; R1253-L1289 HydrophobicContact CG-CD1 4.25Å; V1271-L1289 HydrophobicContact CG2-CD2 4Å; L1285-L1289 PolarHBondContact O-N 2.92Å; A1286-L1289 PolarHBondContact O-N 3.3Å; L1287-L1289 VanDerWaalsContact C-N 3.3Å; L1287-L1289 PolarHBondContact O-N 3.24Å; L1289-E1291 VanDerWaalsContact C-N 3.32Å; L1289-E1291 PolarHBondContact O-N 3.01Å; L1289-E1292 CarbonylContact O-C 3.58Å; L1289-E1292 WeakPolarHBondContact O-CA 3.48Å; L1289-E1292 WeakPolarHBondContact O-CB 3.42Å; L1289-E1292 PolarHBondContact O-N 3.24Å; L1289-L1293 HydrophobicContact CD1-CD1 4.17Å; L1289-L1293 HydrophobicContact CD1-CD2 4.04Å; L1289-L1293 HydrophobicContact CD1-CG 3.89Å; L1289-L1293 HydrophobicContact CG-CD1 4.08Å; L1289-L1293 HydrophobicContact CG-CG 4.21Å; L1289-L1293 WeakPolarHBondContact O-CG 3.47Å; L1289-L1293 PolarHBondContact O-N 3.45Å |
| 1290 | L | 88.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | -177.9 | -170.2 | 58.8 | 0 | 0 | 0 | 112.4 | V1271 A1286 L1287 E1292 L1293 C1294 L1303 F1329 I1345 | V1271-L1290 HydrophobicContact CG1-CB 4Å; V1271-L1290 HydrophobicContact CG1-CD1 4.11Å; V1271-L1290 HydrophobicContact CG1-CG 4.49Å; A1286-L1290 WeakPolarHBondContact O-CB 3.36Å; A1286-L1290 PolarHBondContact O-N 3.49Å; L1287-L1290 PolarHBondContact O-N 3.15Å; L1290-E1292 VanDerWaalsContact C-N 3.32Å; L1290-E1292 PolarHBondContact O-N 2.92Å; L1290-L1293 PolarHBondContact O-N 2.97Å; L1290-C1294 WeakPolarHBondContact O-CB 3.49Å; L1290-C1294 PolarHBondContact O-N 2.88Å; L1290-C1294 PolarHBondContact O-SG 3Å; L1290-L1303 HydrophobicContact CD1-CD1 4.21Å; L1290-L1303 HydrophobicContact CD1-CD2 4.18Å; L1290-L1303 HydrophobicContact CD2-CD1 4.2Å; L1290-L1303 HydrophobicContact CD2-CD2 4.31Å; L1290-L1303 HydrophobicContact CG-CD2 4.37Å; L1290-F1329 HydrophobicContact CD2-CZ 3.81Å; L1290-I1345 HydrophobicContact CB-CD1 4.16Å; L1290-I1345 HydrophobicContact CD2-CD1 4.34Å; L1290-I1345 HydrophobicContact CD2-CG2 4Å; L1290-I1345 HydrophobicContact CG-CD1 4.28Å; L1290-I1345 HydrophobicContact CG-CG2 4.19Å |
| 1291 | E | 83.5 | Confident | 83.2 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 15% | 0.154 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.1 | -40.7 | 169.9 | 179.5 | 176 | -114.8 | 0 | 0 | 112 | L1287 L1289 W1295 I1341 R1344 I1345 | L1287-E1291 PolarHBondContact O-N 3.27Å; L1289-E1291 VanDerWaalsContact C-N 3.32Å; L1289-E1291 PolarHBondContact O-N 3.01Å; E1291-W1295 PolarHBondContact O-NE1 3.04Å; E1291-I1341 HydrophobicContact CB-CD1 3.83Å; E1291-I1341 HydrophobicContact CB-CG1 3.95Å; E1291-I1341 HydrophobicContact CG-CD1 4.36Å; E1291-I1341 HydrophobicContact CG-CG1 4.34Å; E1291-R1344 IonicContact OE1-CZ 3.69Å; E1291-R1344 IonicContact OE1-NE 3.43Å; E1291-R1344 PolarHBondContact OE1-NE 2.99Å; E1291-R1344 IonicContact OE1-NH2 3.29Å; E1291-R1344 PolarHBondContact OE1-NH2 3.37Å; E1291-R1344 IonicContact OE2-NH2 3.44Å; E1291-I1345 HydrophobicContact CB-CD1 4.4Å; E1291-I1345 HydrophobicContact CB-CG1 4.3Å |
| 1292 | E | 81.3 | Confident | 83.5 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.7 | -36 | 176.6 | -172.4 | 175.5 | -179.5 | 0 | 0 | 112.3 | K698 R1253 R1257 C1288 L1289 L1290 | K698-E1292 WeakPolarHBondContact CE-OE1 3.44Å; R1253-E1292 IonicContact CZ-OE2 3.07Å; R1253-E1292 IonicContact NE-OE1 2.66Å; R1253-E1292 IonicContact NE-OE2 3.55Å; R1253-E1292 PolarHBondContact NE-OE2 3.26Å; R1253-E1292 IonicContact NH2-OE2 3.7Å; R1253-E1292 PolarHBondContact NH2-OE2 3.48Å; R1257-E1292 IonicContact CZ-OE1 2.99Å; R1257-E1292 IonicContact NE-OE1 3.28Å; R1257-E1292 PolarHBondContact NE-OE1 3.05Å; R1257-E1292 VanDerWaalsContact NE-OE1 3.08Å; R1257-E1292 IonicContact NH2-OE1 2.72Å; R1257-E1292 PolarHBondContact NH2-OE1 3.08Å; C1288-E1292 PolarHBondContact O-N 3.1Å; L1289-E1292 CarbonylContact O-C 3.58Å; L1289-E1292 WeakPolarHBondContact O-CA 3.48Å; L1289-E1292 WeakPolarHBondContact O-CB 3.42Å; L1289-E1292 PolarHBondContact O-N 3.24Å; L1290-E1292 VanDerWaalsContact C-N 3.32Å; L1290-E1292 PolarHBondContact O-N 2.92Å |
| 1293 | L | 84.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.7 | -33 | 175.6 | -61.6 | -175.5 | 0 | 0 | 0 | 112.7 | F1256 I1268 V1271 L1289 L1290 W1295 D1296 N1299 | F1256-L1293 HydrophobicContact CB-CD2 3.49Å; F1256-L1293 VanDerWaalsContact CB-CD2 3.49Å; F1256-L1293 HydrophobicContact CD1-CD2 3.84Å; F1256-L1293 HydrophobicContact CD2-CD1 3.73Å; F1256-L1293 HydrophobicContact CD2-CD2 3.48Å; F1256-L1293 VanDerWaalsContact CD2-CD2 3.48Å; F1256-L1293 HydrophobicContact CD2-CG 4.27Å; F1256-L1293 HydrophobicContact CE1-CD2 4.4Å; F1256-L1293 HydrophobicContact CE2-CD1 3.52Å; F1256-L1293 HydrophobicContact CE2-CD2 4.09Å; F1256-L1293 HydrophobicContact CE2-CG 4.46Å; F1256-L1293 HydrophobicContact CG-CD1 4.35Å; F1256-L1293 HydrophobicContact CG-CD2 3.33Å; F1256-L1293 HydrophobicContact CG-CG 4.47Å; F1256-L1293 HydrophobicContact CZ-CD1 3.98Å; I1268-L1293 HydrophobicContact CD1-CB 4.47Å; I1268-L1293 HydrophobicContact CD1-CD1 3.86Å; V1271-L1293 HydrophobicContact CG2-CD1 4.37Å; L1289-L1293 HydrophobicContact CD1-CD1 4.17Å; L1289-L1293 HydrophobicContact CD1-CD2 4.04Å; L1289-L1293 HydrophobicContact CD1-CG 3.89Å; L1289-L1293 HydrophobicContact CG-CD1 4.08Å; L1289-L1293 HydrophobicContact CG-CG 4.21Å; L1289-L1293 WeakPolarHBondContact O-CG 3.47Å; L1289-L1293 PolarHBondContact O-N 3.45Å; L1290-L1293 PolarHBondContact O-N 2.97Å; L1293-W1295 PolarHBondContact O-N 3.45Å; L1293-D1296 PolarHBondContact O-N 2.94Å; L1293-N1299 VanDerWaalsContact O-CB 3.29Å; L1293-N1299 WeakPolarHBondContact O-CB 3.38Å; L1293-N1299 PolarHBondContact O-ND2 3.18Å |
| 1294 | C | 82.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 13.2 | 177.6 | -67.9 | 0 | 0 | 0 | 0 | 114.6 | L1290 I1300 R1348 | L1290-C1294 WeakPolarHBondContact O-CB 3.49Å; L1290-C1294 PolarHBondContact O-N 2.88Å; L1290-C1294 PolarHBondContact O-SG 3Å; C1294-I1300 HydrophobicContact CB-CG1 4.32Å; C1294-I1300 WeakPolarHBondContact O-CD1 3.47Å; C1294-R1348 HydrophobicContact CB-CB 4.33Å; C1294-R1348 HydrophobicContact CB-CG 4.28Å; C1294-R1348 PolarHBondContact O-NH1 3.19Å |
| 1295 | W | 76 | Confident | 83.4 | Confident | 51 Ų | 51 | 34 Ų | 34 | 19% | 0.193 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -28.1 | 165.7 | -72.9 | 78.8 | 0 | 0 | 0 | 112.9 | I702 E1291 L1293 R1348 L1544 | I702-W1295 HydrophobicContact CB-CE3 4.5Å; I702-W1295 HydrophobicContact CG2-CE3 4.33Å; I702-W1295 HydrophobicContact CG2-CZ3 4.5Å; E1291-W1295 PolarHBondContact O-NE1 3.04Å; L1293-W1295 PolarHBondContact O-N 3.45Å; W1295-R1348 VanDerWaalsContact CD2-NH2 3.28Å; W1295-R1348 VanDerWaalsContact CE2-NH2 3.34Å; W1295-L1544 WeakPolarHBondContact CH2-O 3.36Å |
| 1296 | D | 79.1 | Confident | 83.3 | Confident | 45 Ų | 45 | 34.1 Ų | 34.1 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -88.3 | 124.3 | 175.3 | -170.8 | -39.6 | 0 | 0 | 0 | 110.2 | Y699 L1293 V1298 N1299 I1300 | Y699-D1296 HydrophobicContact CE1-CB 4.3Å; L1293-D1296 PolarHBondContact O-N 2.94Å; D1296-V1298 PolarHBondContact O-N 2.97Å; D1296-V1298 WeakPolarHBondContact OD1-CB 3.41Å; D1296-V1298 WeakPolarHBondContact OD1-CG2 3.31Å; D1296-V1298 PolarHBondContact OD1-N 3.01Å; D1296-N1299 HydrophobicContact CB-CB 4.43Å; D1296-N1299 PolarHBondContact O-N 2.93Å; D1296-N1299 VanDerWaalsContact O-N 3.14Å; D1296-I1300 PolarHBondContact O-N 3.32Å |
| 1297 | P | 79.1 | Confident | 82.8 | Confident | 82 Ų | 82 | 34 Ų | 34 | 53% | 0.532 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.9 | -26.9 | -179.9 | 25.7 | -34.9 | 0 | 0 | 0 | 113.7 | N1299 I1300 Q1301 | P1297-N1299 VanDerWaalsContact C-N 3.33Å; P1297-I1300 PolarHBondContact O-N 3.34Å; P1297-Q1301 WeakPolarHBondContact O-CG 3.33Å; P1297-Q1301 PolarHBondContact O-N 3.42Å |
| 1298 | V | 84.1 | Confident | 82.2 | Confident | 81 Ų | 81 | 34.9 Ų | 34.9 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.5 | -38 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | A1264 D1296 Q1301 A1302 | A1264-V1298 HydrophobicContact CB-CG1 4.17Å; D1296-V1298 PolarHBondContact O-N 2.97Å; D1296-V1298 WeakPolarHBondContact OD1-CB 3.41Å; D1296-V1298 WeakPolarHBondContact OD1-CG2 3.31Å; D1296-V1298 PolarHBondContact OD1-N 3.01Å; V1298-Q1301 PolarHBondContact O-N 3.42Å; V1298-A1302 PolarHBondContact O-N 3.28Å |
| 1299 | N | 86.5 | Confident | 81.3 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.1 | -35.9 | 175.6 | -69.5 | -25.4 | 0 | 0 | 0 | 112 | F1256 A1264 I1268 L1293 D1296 P1297 Q1301 A1302 L1303 | F1256-N1299 WeakPolarHBondContact CE1-OD1 3.21Å; A1264-N1299 WeakPolarHBondContact CB-OD1 3.48Å; I1268-N1299 HydrophobicContact CD1-CB 4.18Å; L1293-N1299 VanDerWaalsContact O-CB 3.29Å; L1293-N1299 WeakPolarHBondContact O-CB 3.38Å; L1293-N1299 PolarHBondContact O-ND2 3.18Å; D1296-N1299 HydrophobicContact CB-CB 4.43Å; D1296-N1299 PolarHBondContact O-N 2.93Å; D1296-N1299 VanDerWaalsContact O-N 3.14Å; P1297-N1299 VanDerWaalsContact C-N 3.33Å; N1299-Q1301 VanDerWaalsContact C-N 3.35Å; N1299-A1302 PolarHBondContact O-N 3.24Å; N1299-L1303 WeakPolarHBondContact O-CB 3.23Å; N1299-L1303 PolarHBondContact O-N 3.3Å |
| 1300 | I | 84.7 | Confident | 79.8 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 174.9 | -52.1 | 174.5 | 0 | 0 | 0 | 110.2 | C1294 D1296 P1297 L1303 S1304 R1348 V1349 I1352 | C1294-I1300 HydrophobicContact CB-CG1 4.32Å; C1294-I1300 WeakPolarHBondContact O-CD1 3.47Å; D1296-I1300 PolarHBondContact O-N 3.32Å; P1297-I1300 PolarHBondContact O-N 3.34Å; I1300-L1303 PolarHBondContact O-N 2.9Å; I1300-S1304 PolarHBondContact O-N 3.24Å; I1300-S1304 VanDerWaalsContact O-N 3.07Å; I1300-R1348 HydrophobicContact CD1-CB 4.4Å; I1300-V1349 HydrophobicContact CG2-CB 4.39Å; I1300-V1349 HydrophobicContact CG2-CG2 3.94Å; I1300-I1352 HydrophobicContact CB-CD1 4.42Å; I1300-I1352 HydrophobicContact CG2-CD1 3.77Å; I1300-I1352 HydrophobicContact CG2-CG1 4.33Å |
| 1301 | Q | 83.9 | Confident | 77.7 | Confident | 116 Ų | 116 | 50.3 Ų | 50.3 | 54% | 0.542 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.2 | -73 | 179.2 | 0.7 | 0 | 0 | 112.2 | P1297 V1298 N1299 S1304 I1352 | P1297-Q1301 WeakPolarHBondContact O-CG 3.33Å; P1297-Q1301 PolarHBondContact O-N 3.42Å; V1298-Q1301 PolarHBondContact O-N 3.42Å; N1299-Q1301 VanDerWaalsContact C-N 3.35Å; Q1301-S1304 WeakPolarHBondContact O-CB 3.43Å; Q1301-S1304 PolarHBondContact O-N 3.44Å; Q1301-S1304 PolarHBondContact O-OG 2.85Å; Q1301-I1352 HydrophobicContact CG-CD1 3.94Å |
| 1302 | A | 83.7 | Confident | 75.4 | Confident | 15 Ų | 15 | 54 Ų | 54 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1264 I1268 V1298 N1299 S1304 Q1305 | A1264-A1302 HydrophobicContact CB-CB 4.24Å; A1264-A1302 VanDerWaalsContact O-CB 3.29Å; A1264-A1302 WeakPolarHBondContact O-CB 3.43Å; I1268-A1302 HydrophobicContact CB-CB 4.43Å; I1268-A1302 HydrophobicContact CG1-CB 4.12Å; V1298-A1302 PolarHBondContact O-N 3.28Å; N1299-A1302 PolarHBondContact O-N 3.24Å; A1302-S1304 PolarHBondContact O-N 3.31Å; A1302-Q1305 PolarHBondContact O-N 3.38Å |
| 1303 | L | 86.9 | Confident | 73 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -30.1 | 179.7 | -173.1 | 61.6 | 0 | 0 | 0 | 113.2 | I1268 V1272 L1290 N1299 I1300 Q1305 N1306 I1307 F1329 I1345 V1349 | I1268-L1303 HydrophobicContact CG2-CB 4.15Å; I1268-L1303 HydrophobicContact CG2-CD1 3.9Å; V1272-L1303 HydrophobicContact CG2-CD1 3.59Å; L1290-L1303 HydrophobicContact CD1-CD1 4.21Å; L1290-L1303 HydrophobicContact CD1-CD2 4.18Å; L1290-L1303 HydrophobicContact CD2-CD1 4.2Å; L1290-L1303 HydrophobicContact CD2-CD2 4.31Å; L1290-L1303 HydrophobicContact CG-CD2 4.37Å; N1299-L1303 WeakPolarHBondContact O-CB 3.23Å; N1299-L1303 PolarHBondContact O-N 3.3Å; I1300-L1303 PolarHBondContact O-N 2.9Å; L1303-Q1305 PolarHBondContact O-N 3.26Å; L1303-N1306 WeakPolarHBondContact O-CB 3.46Å; L1303-N1306 PolarHBondContact O-N 3.07Å; L1303-I1307 HydrophobicContact CG-CD1 4.16Å; L1303-F1329 HydrophobicContact CD1-CE1 3.98Å; L1303-I1345 HydrophobicContact CD2-CG2 3.79Å; L1303-V1349 HydrophobicContact CD2-CG2 3.93Å; L1303-V1349 HydrophobicContact CG-CG2 4.3Å |
| 1304 | S | 82.7 | Confident | 70.5 | Confident | 26 Ų | 26 | 66.6 Ų | 66.6 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.5 | -35.2 | 178.4 | 73.6 | 0 | 0 | 0 | 0 | 114.2 | I1300 Q1301 A1302 N1306 I1307 L1308 | I1300-S1304 PolarHBondContact O-N 3.24Å; I1300-S1304 VanDerWaalsContact O-N 3.07Å; Q1301-S1304 WeakPolarHBondContact O-CB 3.43Å; Q1301-S1304 PolarHBondContact O-N 3.44Å; Q1301-S1304 PolarHBondContact O-OG 2.85Å; A1302-S1304 PolarHBondContact O-N 3.31Å; S1304-N1306 PolarHBondContact O-N 3.33Å; S1304-I1307 PolarHBondContact O-N 3.05Å; S1304-I1307 VanDerWaalsContact O-N 3.1Å; S1304-L1308 PolarHBondContact O-N 3.31Å |
| 1305 | Q | 80.2 | Confident | 68.2 | Low | 128 Ų | 128 | 73.1 Ų | 73.1 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19.7 | -178 | -55.6 | -175.8 | 11.8 | 0 | 0 | 111.9 | A1302 L1303 | A1302-Q1305 PolarHBondContact O-N 3.38Å; L1303-Q1305 PolarHBondContact O-N 3.26Å |
| 1306 | N | 79.4 | Confident | 66 | Low | 37 Ų | 37 | 77.4 Ų | 77.4 | 20% | 0.198 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.9 | 175.7 | -74.3 | -83.4 | 0 | 0 | 0 | 113.2 | D1269 V1272 L1303 S1304 T1327 | D1269-N1306 PolarHBondContact OD1-ND2 3.39Å; V1272-N1306 HydrophobicContact CG1-CB 4.4Å; V1272-N1306 HydrophobicContact CG2-CB 4.23Å; L1303-N1306 WeakPolarHBondContact O-CB 3.46Å; L1303-N1306 PolarHBondContact O-N 3.07Å; S1304-N1306 PolarHBondContact O-N 3.33Å; N1306-T1327 WeakPolarHBondContact O-CB 3.45Å; N1306-T1327 VanDerWaalsContact O-CG2 3.3Å; N1306-T1327 WeakPolarHBondContact O-CG2 3.4Å; N1306-T1327 PolarHBondContact O-OG1 2.99Å |
| 1307 | I | 77.7 | Confident | 63.7 | Low | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -35 | -174.8 | -77.6 | 166 | 0 | 0 | 0 | 112.6 | L1303 S1304 T1327 A1330 F1346 V1349 | L1303-I1307 HydrophobicContact CG-CD1 4.16Å; S1304-I1307 PolarHBondContact O-N 3.05Å; S1304-I1307 VanDerWaalsContact O-N 3.1Å; I1307-T1327 PolarHBondContact O-N 3.2Å; I1307-A1330 HydrophobicContact CB-CB 4.32Å; I1307-A1330 HydrophobicContact CG1-CB 4.24Å; I1307-A1330 HydrophobicContact CG2-CB 4Å; I1307-F1346 HydrophobicContact CG2-CE2 4.2Å; I1307-V1349 HydrophobicContact CD1-CB 4.14Å; I1307-V1349 HydrophobicContact CD1-CG1 3.92Å; I1307-V1349 HydrophobicContact CD1-CG2 3.71Å |
| 1308 | L | 73.8 | Confident | 61.4 | Low | 22 Ų | 22 | 85.5 Ų | 85.5 | 12% | 0.115 | 45% | 0.451 | C | S | . | . | B | Isolated β-bridge | trans | -103.9 | 146.5 | 174 | -67.6 | 172.1 | 0 | 0 | 0 | 110.7 | S1304 N1310 L1325 I1355 K1358 L1359 | S1304-L1308 PolarHBondContact O-N 3.31Å; L1308-N1310 PolarHBondContact O-N 3.37Å; L1308-L1325 HydrophobicContact CD2-CD2 4.16Å; L1308-L1325 HydrophobicContact CD2-CG 4.45Å; L1308-I1355 HydrophobicContact CD1-CG2 4.31Å; L1308-K1358 HydrophobicContact CD1-CD 4.02Å; L1308-L1359 HydrophobicContact CD2-CD2 3.97Å |
| 1309 | H | 64.5 | Low | 59 | Low | 124 Ų | 124 | 90 Ų | 90 | 57% | 0.574 | 47% | 0.471 | S | S | * | . | trans | -72.1 | 123.6 | 163.3 | -88.7 | 27.6 | 0 | 0 | 0 | 110.6 | Q1311 L1325 | H1309-Q1311 PolarHBondContact O-N 3.42Å; H1309-L1325 PolarHBondContact N-O 2.98Å; H1309-L1325 VanDerWaalsContact N-O 3.15Å | ||
| 1310 | N | 52.7 | Low | 56.4 | Low | 118 Ų | 118 | 95.7 Ų | 95.7 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | trans | -69 | 113.8 | 170.3 | -74.4 | -29.7 | 0 | 0 | 0 | 109.4 | L1308 T1312 | L1308-N1310 PolarHBondContact O-N 3.37Å; N1310-T1312 PolarHBondContact O-N 2.97Å; N1310-T1312 VanDerWaalsContact O-N 3.13Å | ||
| 1311 | Q | 44.3 | Very low | 54 | Low | 141 Ų | 141 | 101.4 Ų | 101.4 | 66% | 0.659 | 55% | 0.545 | S | S | * | . | trans | -72.5 | 99.8 | 167.5 | -71.7 | 176.7 | -33.6 | 0 | 0 | 108.7 | H1309 | H1309-Q1311 PolarHBondContact O-N 3.42Š| ||
| 1312 | T | 35.4 | Very low | 51.8 | Low | 111 Ų | 111 | 104.1 Ų | 104.1 | 68% | 0.681 | 56% | 0.558 | S | S | * | * | trans | -77.6 | 136.5 | 159.8 | 44.5 | 0 | 0 | 0 | 0 | 108.9 | N1310 D1314 | N1310-T1312 PolarHBondContact O-N 2.97Å; N1310-T1312 VanDerWaalsContact O-N 3.13Å; T1312-D1314 PolarHBondContact O-N 3.27Å | ||
| 1313 | N | 31.1 | Very low | 50.1 | Low | 140 Ų | 140 | 112.1 Ų | 112.1 | 75% | 0.749 | 59% | 0.589 | S | S | * | * | trans | -75.1 | 85.2 | -180 | -68 | 1.7 | 0 | 0 | 0 | 110.7 | D1315 | N1313-D1315 PolarHBondContact O-N 3.36Š| ||
| 1314 | D | 32.9 | Very low | 48.5 | Very low | 146 Ų | 146 | 116.8 Ų | 116.8 | 78% | 0.781 | 61% | 0.614 | S | S | * | * | trans | -86.1 | 86.6 | 158.5 | -74.6 | -44.3 | 0 | 0 | 0 | 108.7 | T1312 N1316 | T1312-D1314 PolarHBondContact O-N 3.27Å; D1314-N1316 VanDerWaalsContact C-N 3.3Å; D1314-N1316 PolarHBondContact O-N 3.17Å | ||
| 1315 | D | 33.4 | Very low | 47.6 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | trans | -66.3 | 87.8 | 169.5 | -75.2 | -48.6 | 0 | 0 | 0 | 109.5 | N1313 | N1313-D1315 PolarHBondContact O-N 3.36Š| ||
| 1316 | N | 30.4 | Very low | 47.4 | Very low | 140 Ų | 140 | 113.8 Ų | 113.8 | 75% | 0.749 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 174.6 | 129.9 | 135.5 | -94.6 | -65.9 | 0 | 0 | 0 | 113.1 | D1314 | D1314-N1316 VanDerWaalsContact C-N 3.3Å; D1314-N1316 PolarHBondContact O-N 3.17Å |
| 1317 | N | 30.9 | Very low | 47.5 | Very low | 138 Ų | 138 | 112.8 Ų | 112.8 | 74% | 0.738 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 51 | 79.6 | 151.9 | -60.5 | -26.4 | 0 | 0 | 0 | 119.8 | ||
| 1318 | N | 31.3 | Very low | 47.4 | Very low | 159 Ų | 159 | 117.2 Ų | 117.2 | 85% | 0.85 | 62% | 0.624 | S | S | * | * | -167.9 | 98.9 | 128.7 | -102 | -38.4 | 0 | 0 | 0 | 112.8 | V1320 | N1318-V1320 PolarHBondContact O-N 3.01Š| |||
| 1319 | I | 33.4 | Very low | 47.9 | Very low | 177 Ų | 177 | 116.6 Ų | 116.6 | 91% | 0.908 | 62% | 0.62 | S | S | * | * | trans | -87.1 | 45.3 | -177.6 | -42.4 | -178.3 | 0 | 0 | 0 | 111.5 | ||||
| 1320 | V | 31.6 | Very low | 48.7 | Very low | 124 Ų | 124 | 110.7 Ų | 110.7 | 75% | 0.752 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -146 | 81.9 | 174.5 | -170.4 | 0 | 0 | 0 | 0 | 110.5 | N1318 | N1318-V1320 PolarHBondContact O-N 3.01Š|
| 1321 | C | 34.3 | Very low | 49.9 | Very low | 129 Ų | 129 | 108.4 Ų | 108.4 | 87% | 0.872 | 58% | 0.58 | S | S | * | * | trans | 177.7 | -9.3 | 155.9 | -105.6 | 0 | 0 | 0 | 0 | 115.4 | K1323 | C1321-K1323 PolarHBondContact O-N 3.18Š| ||
| 1322 | Q | 36.4 | Very low | 51.8 | Low | 173 Ų | 173 | 103.2 Ų | 103.2 | 81% | 0.808 | 56% | 0.555 | S | S | * | * | trans | -71.7 | 89.2 | -178.1 | -67.8 | -173.2 | -4.6 | 0 | 0 | 112.7 | ||||
| 1323 | K | 48.2 | Very low | 53.9 | Low | 182 Ų | 182 | 97.9 Ų | 97.9 | 79% | 0.791 | 52% | 0.522 | S | S | * | . | trans | -133.7 | -15.2 | 171.1 | -85.3 | -168.2 | 173.4 | -179.7 | 0 | 117.1 | C1321 | C1321-K1323 PolarHBondContact O-N 3.18Š| ||
| 1324 | N | 53.9 | Low | 56.2 | Low | 98 Ų | 98 | 91.3 Ų | 91.3 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | trans | -111.4 | 108.1 | 177.3 | -69.7 | -2.6 | 0 | 0 | 0 | 110.4 | ||||
| 1325 | L | 64.7 | Low | 58.2 | Low | 81 Ų | 81 | 88.6 Ų | 88.6 | 42% | 0.424 | 47% | 0.469 | S | S | . | . | trans | -82.2 | -23.7 | 177.7 | -133.9 | 77.5 | 0 | 0 | 0 | 113.3 | L1308 H1309 | L1308-L1325 HydrophobicContact CD2-CD2 4.16Å; L1308-L1325 HydrophobicContact CD2-CG 4.45Å; H1309-L1325 PolarHBondContact N-O 2.98Å; H1309-L1325 VanDerWaalsContact N-O 3.15Å | ||
| 1326 | L | 76.1 | Confident | 59.7 | Low | 11 Ų | 11 | 83.5 Ų | 83.5 | 6% | 0.058 | 45% | 0.449 | C | S | . | . | B | Isolated β-bridge | trans | -90.2 | 140.2 | -173.2 | -67.4 | 157.2 | 0 | 0 | 0 | 111.4 | A1330 I1331 F1346 L1359 P1415 | L1326-A1330 HydrophobicContact CB-CB 4.19Å; L1326-A1330 HydrophobicContact CD2-CB 3.87Å; L1326-I1331 HydrophobicContact CB-CG1 4.23Å; L1326-F1346 HydrophobicContact CD2-CE2 4.28Å; L1326-F1346 HydrophobicContact CD2-CZ 4.32Å; L1326-L1359 HydrophobicContact CD2-CD2 4.03Å; L1326-P1415 HydrophobicContact CD1-CB 4.25Å; L1326-P1415 HydrophobicContact CD1-CG 4.25Å |
| 1327 | T | 80.8 | Confident | 61.5 | Low | 16 Ų | 16 | 82.3 Ų | 82.3 | 10% | 0.098 | 44% | 0.443 | C | S | . | . | trans | -70.9 | 159.9 | 171 | 63 | 0 | 0 | 0 | 0 | 112.2 | N1306 I1307 F1329 A1330 I1331 | N1306-T1327 WeakPolarHBondContact O-CB 3.45Å; N1306-T1327 VanDerWaalsContact O-CG2 3.3Å; N1306-T1327 WeakPolarHBondContact O-CG2 3.4Å; N1306-T1327 PolarHBondContact O-OG1 2.99Å; I1307-T1327 PolarHBondContact O-N 3.2Å; T1327-F1329 PolarHBondContact O-N 3.35Å; T1327-A1330 WeakPolarHBondContact O-CB 3.32Å; T1327-A1330 PolarHBondContact O-N 3.31Å; T1327-A1330 PolarHBondContact OG1-N 3.3Å; T1327-A1330 VanDerWaalsContact OG1-N 3.11Å; T1327-I1331 PolarHBondContact O-N 3.24Å | ||
| 1328 | P | 75.7 | Confident | 63.3 | Low | 92 Ų | 92 | 76.3 Ų | 76.3 | 60% | 0.597 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -56.4 | -30.3 | 170.8 | -26.5 | 35.7 | 0 | 0 | 0 | 113.6 | Y1332 | P1328-Y1332 WeakPolarHBondContact O-CB 3.14Å; P1328-Y1332 PolarHBondContact O-N 3.48Å |
| 1329 | F | 83.4 | Confident | 65.4 | Low | 10 Ų | 10 | 69.5 Ų | 69.5 | 4% | 0.044 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 174.6 | 174.9 | -110.2 | 0 | 0 | 0 | 112.5 | V1272 C1275 M1276 L1290 L1303 T1327 Y1332 L1333 | V1272-F1329 HydrophobicContact CG1-CB 4.23Å; V1272-F1329 HydrophobicContact CG1-CD1 3.8Å; V1272-F1329 HydrophobicContact CG1-CD2 3.91Å; V1272-F1329 HydrophobicContact CG1-CE1 4.12Å; V1272-F1329 HydrophobicContact CG1-CE2 4.22Å; V1272-F1329 HydrophobicContact CG1-CG 3.69Å; V1272-F1329 HydrophobicContact CG1-CZ 4.31Å; V1272-F1329 HydrophobicContact CG2-CD1 4.28Å; V1272-F1329 HydrophobicContact CG2-CE1 3.83Å; V1272-F1329 HydrophobicContact CG2-CZ 4.01Å; C1275-F1329 HydrophobicContact CB-CD2 4.49Å; C1275-F1329 HydrophobicContact CB-CE2 3.69Å; M1276-F1329 HydrophobicContact CG-CD2 4.26Å; M1276-F1329 HydrophobicContact SD-CD2 3.96Å; L1290-F1329 HydrophobicContact CD2-CZ 3.81Å; L1303-F1329 HydrophobicContact CD1-CE1 3.98Å; T1327-F1329 PolarHBondContact O-N 3.35Å; F1329-Y1332 WeakPolarHBondContact O-CB 3.49Å; F1329-Y1332 PolarHBondContact O-N 2.93Å; F1329-L1333 HydrophobicContact CD1-CD1 4.22Å; F1329-L1333 HydrophobicContact CE1-CD1 3.55Å; F1329-L1333 HydrophobicContact CE1-CG 4.06Å; F1329-L1333 HydrophobicContact CE2-CD1 4.46Å; F1329-L1333 HydrophobicContact CE2-CD2 4.14Å; F1329-L1333 HydrophobicContact CE2-CG 4.08Å; F1329-L1333 HydrophobicContact CZ-CD1 3.69Å; F1329-L1333 HydrophobicContact CZ-CD2 3.89Å; F1329-L1333 HydrophobicContact CZ-CG 3.79Å; F1329-L1333 PolarHBondContact O-N 3.15Å |
| 1330 | A | 80.9 | Confident | 67.5 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1307 L1326 T1327 Y1332 L1333 L1334 F1346 | I1307-A1330 HydrophobicContact CB-CB 4.32Å; I1307-A1330 HydrophobicContact CG1-CB 4.24Å; I1307-A1330 HydrophobicContact CG2-CB 4Å; L1326-A1330 HydrophobicContact CB-CB 4.19Å; L1326-A1330 HydrophobicContact CD2-CB 3.87Å; T1327-A1330 WeakPolarHBondContact O-CB 3.32Å; T1327-A1330 PolarHBondContact O-N 3.31Å; T1327-A1330 PolarHBondContact OG1-N 3.3Å; T1327-A1330 VanDerWaalsContact OG1-N 3.11Å; A1330-Y1332 VanDerWaalsContact C-N 3.31Å; A1330-Y1332 PolarHBondContact O-N 2.96Å; A1330-L1333 PolarHBondContact O-N 3.03Å; A1330-L1334 WeakPolarHBondContact O-CG 3.42Å; A1330-L1334 PolarHBondContact O-N 3.23Å; A1330-F1346 HydrophobicContact CB-CE2 4.21Å |
| 1331 | I | 79.7 | Confident | 69.9 | Low | 70 Ų | 70 | 57.5 Ų | 57.5 | 36% | 0.359 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 173.2 | -62.1 | 169.8 | 0 | 0 | 0 | 110.5 | L1326 T1327 L1334 H1335 L1412 | L1326-I1331 HydrophobicContact CB-CG1 4.23Å; T1327-I1331 PolarHBondContact O-N 3.24Å; I1331-L1334 PolarHBondContact O-N 3.26Å; I1331-H1335 PolarHBondContact O-N 2.99Å; I1331-H1335 VanDerWaalsContact O-N 3.08Å; I1331-L1412 HydrophobicContact CD1-CD2 4.14Å |
| 1332 | Y | 82.2 | Confident | 72.2 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 12% | 0.122 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 175.6 | 179 | -114.8 | 0 | 0 | 0 | 113 | C1275 M1276 R1283 L1287 P1328 F1329 A1330 L1334 H1335 T1338 | C1275-Y1332 WeakPolarHBondContact O-CE1 3.35Å; M1276-Y1332 HydrophobicContact CE-CG 4.32Å; M1276-Y1332 HydrophobicContact SD-CD1 3.54Å; M1276-Y1332 VanDerWaalsContact SD-CD1 3.54Å; M1276-Y1332 HydrophobicContact SD-CE1 4.32Å; M1276-Y1332 HydrophobicContact SD-CG 3.8Å; R1283-Y1332 WeakPolarHBondContact CD-OH 3.16Å; R1283-Y1332 HydrophobicContact CG-CE1 4.45Å; L1287-Y1332 HydrophobicContact CD1-CE1 4.46Å; P1328-Y1332 WeakPolarHBondContact O-CB 3.14Å; P1328-Y1332 PolarHBondContact O-N 3.48Å; F1329-Y1332 WeakPolarHBondContact O-CB 3.49Å; F1329-Y1332 PolarHBondContact O-N 2.93Å; A1330-Y1332 VanDerWaalsContact C-N 3.31Å; A1330-Y1332 PolarHBondContact O-N 2.96Å; Y1332-L1334 PolarHBondContact O-N 3.46Å; Y1332-H1335 WeakPolarHBondContact O-CB 3.09Å; Y1332-H1335 PolarHBondContact O-N 3.17Å; Y1332-T1338 HydrophobicContact CD1-CG2 4.04Å; Y1332-T1338 HydrophobicContact CD2-CG2 4.25Å; Y1332-T1338 HydrophobicContact CE1-CG2 3.58Å; Y1332-T1338 HydrophobicContact CE2-CG2 3.78Å; Y1332-T1338 HydrophobicContact CG-CG2 4.34Å; Y1332-T1338 WeakPolarHBondContact O-CG2 3.17Å |
| 1333 | L | 81.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -31.6 | 175.5 | -73.8 | 178.5 | 0 | 0 | 0 | 113.4 | L1287 F1329 A1330 T1338 G1342 I1345 F1346 | L1287-L1333 HydrophobicContact CD2-CD2 3.9Å; F1329-L1333 HydrophobicContact CD1-CD1 4.22Å; F1329-L1333 HydrophobicContact CE1-CD1 3.55Å; F1329-L1333 HydrophobicContact CE1-CG 4.06Å; F1329-L1333 HydrophobicContact CE2-CD1 4.46Å; F1329-L1333 HydrophobicContact CE2-CD2 4.14Å; F1329-L1333 HydrophobicContact CE2-CG 4.08Å; F1329-L1333 HydrophobicContact CZ-CD1 3.69Å; F1329-L1333 HydrophobicContact CZ-CD2 3.89Å; F1329-L1333 HydrophobicContact CZ-CG 3.79Å; F1329-L1333 PolarHBondContact O-N 3.15Å; A1330-L1333 PolarHBondContact O-N 3.03Å; L1333-T1338 PolarHBondContact O-OG1 2.92Å; L1333-G1342 CarbonylContact O-C 3.58Å; L1333-I1345 HydrophobicContact CD1-CG2 3.96Å; L1333-I1345 HydrophobicContact CD2-CB 4.3Å; L1333-I1345 HydrophobicContact CD2-CG2 4.17Å; L1333-F1346 HydrophobicContact CB-CB 4.41Å; L1333-F1346 HydrophobicContact CB-CD2 4.47Å |
| 1334 | L | 78.6 | Confident | 76.4 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -81.3 | -16.2 | 174.7 | -66.9 | 172.2 | 0 | 0 | 0 | 112.7 | A1330 I1331 Y1332 F1346 V1411 P1415 W1418 M1419 | A1330-L1334 WeakPolarHBondContact O-CG 3.42Å; A1330-L1334 PolarHBondContact O-N 3.23Å; I1331-L1334 PolarHBondContact O-N 3.26Å; Y1332-L1334 PolarHBondContact O-N 3.46Å; L1334-F1346 HydrophobicContact CD1-CE2 4.18Å; L1334-F1346 HydrophobicContact CD1-CZ 4.19Å; L1334-F1346 HydrophobicContact CD2-CD1 3.91Å; L1334-F1346 HydrophobicContact CD2-CD2 4.27Å; L1334-F1346 HydrophobicContact CD2-CE1 4.11Å; L1334-F1346 HydrophobicContact CD2-CE2 4.46Å; L1334-F1346 HydrophobicContact CD2-CG 3.99Å; L1334-F1346 HydrophobicContact CD2-CZ 4.38Å; L1334-F1346 HydrophobicContact CG-CD2 4.23Å; L1334-F1346 HydrophobicContact CG-CE2 4.28Å; L1334-F1346 HydrophobicContact CG-CG 4.44Å; L1334-V1411 HydrophobicContact CD1-CG1 3.98Å; L1334-P1415 HydrophobicContact CD1-CB 4.18Å; L1334-W1418 HydrophobicContact CB-CH2 4.42Å; L1334-W1418 HydrophobicContact CB-CZ3 3.91Å; L1334-W1418 HydrophobicContact CD2-CE3 4.5Å; L1334-W1418 HydrophobicContact CD2-CZ3 4.11Å; L1334-W1418 HydrophobicContact CG-CZ3 4.48Å; L1334-W1418 WeakPolarHBondContact O-CH2 3.49Å; L1334-M1419 HydrophobicContact CD2-SD 4.06Å |
| 1335 | H | 75.2 | Confident | 77.9 | Confident | 89 Ų | 89 | 30.4 Ų | 30.4 | 41% | 0.412 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -75.4 | 133.9 | -178.2 | -163.9 | -93.8 | 0 | 0 | 0 | 111.8 | I1331 Y1332 N1337 T1338 | I1331-H1335 PolarHBondContact O-N 2.99Å; I1331-H1335 VanDerWaalsContact O-N 3.08Å; Y1332-H1335 WeakPolarHBondContact O-CB 3.09Å; Y1332-H1335 PolarHBondContact O-N 3.17Å; H1335-N1337 VanDerWaalsContact CE1-CG 3.43Å; H1335-N1337 PolarHBondContact CE1-OD1 2.99Å; H1335-N1337 PolarHBondContact ND1-N 3Å; H1335-N1337 PolarHBondContact O-N 3.5Å; H1335-T1338 PolarHBondContact O-N 3.04Å; H1335-T1338 PolarHBondContact O-OG1 3.2Å |
| 1336 | G | 65 | Low | 79 | Confident | 31 Ų | 31 | 26.7 Ų | 26.7 | 32% | 0.32 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -54.1 | -27.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | T1338 G1339 | G1336-T1338 PolarHBondContact O-N 3.32Å; G1336-T1338 VanDerWaalsContact O-N 3.1Å; G1336-G1339 PolarHBondContact O-N 2.7Å |
| 1337 | N | 67.5 | Low | 79.4 | Confident | 115 Ų | 115 | 26.1 Ų | 26.1 | 62% | 0.615 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -63.5 | -12 | 176.7 | -61.4 | 8.3 | 0 | 0 | 0 | 114.2 | H1335 | H1335-N1337 VanDerWaalsContact CE1-CG 3.43Å; H1335-N1337 PolarHBondContact CE1-OD1 2.99Å; H1335-N1337 PolarHBondContact ND1-N 3Å; H1335-N1337 PolarHBondContact O-N 3.5Å |
| 1338 | T | 70.2 | Confident | 79.6 | Confident | 13 Ų | 13 | 26.3 Ų | 26.3 | 8% | 0.08 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -81.8 | -18 | 169 | 58 | 0 | 0 | 0 | 0 | 113.3 | L1287 Y1332 L1333 H1335 G1336 I1341 | L1287-T1338 HydrophobicContact CD1-CG2 4.28Å; Y1332-T1338 HydrophobicContact CD1-CG2 4.04Å; Y1332-T1338 HydrophobicContact CD2-CG2 4.25Å; Y1332-T1338 HydrophobicContact CE1-CG2 3.58Å; Y1332-T1338 HydrophobicContact CE2-CG2 3.78Å; Y1332-T1338 HydrophobicContact CG-CG2 4.34Å; Y1332-T1338 WeakPolarHBondContact O-CG2 3.17Å; L1333-T1338 PolarHBondContact O-OG1 2.92Å; H1335-T1338 PolarHBondContact O-N 3.04Å; H1335-T1338 PolarHBondContact O-OG1 3.2Å; G1336-T1338 PolarHBondContact O-N 3.32Å; G1336-T1338 VanDerWaalsContact O-N 3.1Å; T1338-I1341 WeakPolarHBondContact O-CG2 3.39Å |
| 1339 | G | 73.4 | Confident | 80.1 | Confident | 16 Ų | 16 | 22 Ų | 22 | 17% | 0.165 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | -164.2 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1336 I1341 H1343 | G1336-G1339 PolarHBondContact O-N 2.7Å; G1339-I1341 PolarHBondContact O-N 3.27Å; G1339-H1343 PolarHBondContact O-ND1 2.96Å |
| 1340 | P | 78.8 | Confident | 80.2 | Confident | 26 Ų | 26 | 21.6 Ų | 21.6 | 17% | 0.169 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68 | -19.3 | -175.8 | 28 | -35.7 | 0 | 0 | 0 | 113.6 | H1343 R1344 Y1427 E1434 | P1340-H1343 PolarHBondContact O-N 3.34Å; P1340-R1344 WeakPolarHBondContact O-CG 3.43Å; P1340-R1344 PolarHBondContact O-N 3.16Å; P1340-Y1427 HydrophobicContact CB-CD2 3.73Å; P1340-Y1427 HydrophobicContact CB-CE2 3.73Å; P1340-E1434 WeakPolarHBondContact CG-OE2 3.19Å |
| 1341 | I | 81.9 | Confident | 80.4 | Confident | 23 Ų | 23 | 22.8 Ų | 22.8 | 12% | 0.118 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.2 | -37.7 | -179.2 | -166.3 | 164.8 | 0 | 0 | 0 | 112.9 | L1287 C1288 E1291 T1338 G1339 H1343 R1344 I1345 | L1287-I1341 HydrophobicContact CB-CG2 4.42Å; C1288-I1341 HydrophobicContact CB-CD1 4.46Å; E1291-I1341 HydrophobicContact CB-CD1 3.83Å; E1291-I1341 HydrophobicContact CB-CG1 3.95Å; E1291-I1341 HydrophobicContact CG-CD1 4.36Å; E1291-I1341 HydrophobicContact CG-CG1 4.34Å; T1338-I1341 WeakPolarHBondContact O-CG2 3.39Å; G1339-I1341 PolarHBondContact O-N 3.27Å; I1341-H1343 PolarHBondContact O-N 3.14Å; I1341-R1344 PolarHBondContact O-N 3.02Å; I1341-I1345 HydrophobicContact CG1-CD1 4.2Å; I1341-I1345 WeakPolarHBondContact O-CG1 3.41Å; I1341-I1345 PolarHBondContact O-N 3.13Å |
| 1342 | G | 82.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L1333 R1344 I1345 F1346 | L1333-G1342 CarbonylContact O-C 3.58Å; G1342-R1344 VanDerWaalsContact C-N 3.34Å; G1342-R1344 PolarHBondContact O-N 3.37Å; G1342-I1345 PolarHBondContact O-N 2.75Å; G1342-F1346 PolarHBondContact O-N 2.79Å |
| 1343 | H | 86.2 | Confident | 80.6 | Confident | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.8 | -37.1 | 174.8 | -63.4 | 75.5 | 0 | 0 | 0 | 112.5 | G1339 P1340 I1341 G1347 Y1427 | G1339-H1343 PolarHBondContact O-ND1 2.96Å; P1340-H1343 PolarHBondContact O-N 3.34Å; I1341-H1343 PolarHBondContact O-N 3.14Å; H1343-G1347 PolarHBondContact O-N 3.34Å; H1343-Y1427 HydrophobicContact CB-CD2 3.99Å; H1343-Y1427 HydrophobicContact CB-CE2 4.21Å |
| 1344 | R | 86.5 | Confident | 80.6 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 2% | 0.023 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.8 | -38.9 | 173.7 | -73.6 | -168.8 | -57.7 | -104.9 | 13 | 113.2 | E1291 P1340 I1341 G1342 G1347 R1348 Y1427 E1434 | E1291-R1344 IonicContact OE1-CZ 3.69Å; E1291-R1344 IonicContact OE1-NE 3.43Å; E1291-R1344 PolarHBondContact OE1-NE 2.99Å; E1291-R1344 IonicContact OE1-NH2 3.29Å; E1291-R1344 PolarHBondContact OE1-NH2 3.37Å; E1291-R1344 IonicContact OE2-NH2 3.44Å; P1340-R1344 WeakPolarHBondContact O-CG 3.43Å; P1340-R1344 PolarHBondContact O-N 3.16Å; I1341-R1344 PolarHBondContact O-N 3.02Å; G1342-R1344 VanDerWaalsContact C-N 3.34Å; G1342-R1344 PolarHBondContact O-N 3.37Å; R1344-G1347 PolarHBondContact O-N 3.24Å; R1344-R1348 WeakPolarHBondContact O-CG 3.36Å; R1344-R1348 PolarHBondContact O-N 3.25Å; R1344-Y1427 HydrophobicContact CG-CE2 3.93Å; R1344-Y1427 VanDerWaalsContact CG-OH 3.24Å; R1344-Y1427 WeakPolarHBondContact CG-OH 3.47Å; R1344-E1434 IonicContact CZ-OE1 3.65Å; R1344-E1434 IonicContact CZ-OE2 3.92Å; R1344-E1434 IonicContact NH1-OE1 2.69Å; R1344-E1434 IonicContact NH1-OE2 3.22Å; R1344-E1434 PolarHBondContact NH1-OE2 2.94Å; R1344-E1434 IonicContact NH2-OE1 3.93Å; R1344-E1434 PolarHBondContact NH2-OE1 3.14Å; R1344-E1434 IonicContact NH2-OE2 2.77Å; R1344-E1434 PolarHBondContact NH2-OE2 2.96Å |
| 1345 | I | 85.6 | Confident | 80.7 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 176.1 | -67.8 | 162 | 0 | 0 | 0 | 110.1 | L1287 L1290 E1291 L1303 L1333 I1341 G1342 G1347 R1348 V1349 | L1287-I1345 HydrophobicContact CD2-CD1 3.95Å; L1290-I1345 HydrophobicContact CB-CD1 4.16Å; L1290-I1345 HydrophobicContact CD2-CD1 4.34Å; L1290-I1345 HydrophobicContact CD2-CG2 4Å; L1290-I1345 HydrophobicContact CG-CD1 4.28Å; L1290-I1345 HydrophobicContact CG-CG2 4.19Å; E1291-I1345 HydrophobicContact CB-CD1 4.4Å; E1291-I1345 HydrophobicContact CB-CG1 4.3Å; L1303-I1345 HydrophobicContact CD2-CG2 3.79Å; L1333-I1345 HydrophobicContact CD1-CG2 3.96Å; L1333-I1345 HydrophobicContact CD2-CB 4.3Å; L1333-I1345 HydrophobicContact CD2-CG2 4.17Å; I1341-I1345 HydrophobicContact CG1-CD1 4.2Å; I1341-I1345 WeakPolarHBondContact O-CG1 3.41Å; I1341-I1345 PolarHBondContact O-N 3.13Å; G1342-I1345 PolarHBondContact O-N 2.75Å; I1345-G1347 VanDerWaalsContact C-N 3.35Å; I1345-G1347 PolarHBondContact O-N 3.11Å; I1345-R1348 WeakPolarHBondContact O-CB 3.36Å; I1345-R1348 PolarHBondContact O-N 3.1Å; I1345-V1349 PolarHBondContact O-N 3.15Å |
| 1346 | F | 87.1 | Confident | 81.1 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 174.4 | -166.2 | -86.7 | 0 | 0 | 0 | 111.5 | I1307 L1326 A1330 L1333 L1334 G1342 R1348 V1349 L1350 L1359 M1419 | I1307-F1346 HydrophobicContact CG2-CE2 4.2Å; L1326-F1346 HydrophobicContact CD2-CE2 4.28Å; L1326-F1346 HydrophobicContact CD2-CZ 4.32Å; A1330-F1346 HydrophobicContact CB-CE2 4.21Å; L1333-F1346 HydrophobicContact CB-CB 4.41Å; L1333-F1346 HydrophobicContact CB-CD2 4.47Å; L1334-F1346 HydrophobicContact CD1-CE2 4.18Å; L1334-F1346 HydrophobicContact CD1-CZ 4.19Å; L1334-F1346 HydrophobicContact CD2-CD1 3.91Å; L1334-F1346 HydrophobicContact CD2-CD2 4.27Å; L1334-F1346 HydrophobicContact CD2-CE1 4.11Å; L1334-F1346 HydrophobicContact CD2-CE2 4.46Å; L1334-F1346 HydrophobicContact CD2-CG 3.99Å; L1334-F1346 HydrophobicContact CD2-CZ 4.38Å; L1334-F1346 HydrophobicContact CG-CD2 4.23Å; L1334-F1346 HydrophobicContact CG-CE2 4.28Å; L1334-F1346 HydrophobicContact CG-CG 4.44Å; G1342-F1346 PolarHBondContact O-N 2.79Å; F1346-R1348 PolarHBondContact O-N 2.96Å; F1346-V1349 WeakPolarHBondContact O-CB 3.18Å; F1346-V1349 PolarHBondContact O-N 2.77Å; F1346-V1349 VanDerWaalsContact O-N 3.09Å; F1346-L1350 HydrophobicContact CD1-CD1 4.42Å; F1346-L1350 HydrophobicContact CD1-CG 4.3Å; F1346-L1350 HydrophobicContact CE1-CD1 4.23Å; F1346-L1350 HydrophobicContact CE1-CD2 4.1Å; F1346-L1350 HydrophobicContact CE1-CG 4.17Å; F1346-L1350 PolarHBondContact O-N 2.87Å; F1346-L1359 HydrophobicContact CZ-CD1 4.08Å; F1346-M1419 HydrophobicContact CD1-CE 3.69Å; F1346-M1419 HydrophobicContact CD1-SD 3.81Å; F1346-M1419 HydrophobicContact CE1-CE 4.1Å |
| 1347 | G | 85.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1343 R1344 I1345 V1349 L1350 L1548 C1551 | H1343-G1347 PolarHBondContact O-N 3.34Å; R1344-G1347 PolarHBondContact O-N 3.24Å; I1345-G1347 VanDerWaalsContact C-N 3.35Å; I1345-G1347 PolarHBondContact O-N 3.11Å; G1347-V1349 PolarHBondContact O-N 3.21Å; G1347-L1350 WeakPolarHBondContact O-CB 3.31Å; G1347-L1350 PolarHBondContact O-N 3.44Å; G1347-L1350 VanDerWaalsContact O-N 3.07Å; G1347-L1548 VanDerWaalsContact CA-CD1 3.42Å; G1347-C1551 WeakPolarHBondContact O-CB 3.27Å |
| 1348 | R | 84.6 | Confident | 82.3 | Confident | 20 Ų | 20 | 24.8 Ų | 24.8 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.2 | -35.2 | 174.4 | -79.9 | -77.8 | -170 | 145.6 | -0.2 | 112.4 | C1294 W1295 I1300 R1344 I1345 F1346 S1351 | C1294-R1348 HydrophobicContact CB-CB 4.33Å; C1294-R1348 HydrophobicContact CB-CG 4.28Å; C1294-R1348 PolarHBondContact O-NH1 3.19Å; W1295-R1348 VanDerWaalsContact CD2-NH2 3.28Å; W1295-R1348 VanDerWaalsContact CE2-NH2 3.34Å; I1300-R1348 HydrophobicContact CD1-CB 4.4Å; R1344-R1348 WeakPolarHBondContact O-CG 3.36Å; R1344-R1348 PolarHBondContact O-N 3.25Å; I1345-R1348 WeakPolarHBondContact O-CB 3.36Å; I1345-R1348 PolarHBondContact O-N 3.1Å; F1346-R1348 PolarHBondContact O-N 2.96Å; R1348-S1351 WeakPolarHBondContact O-CB 3.39Å; R1348-S1351 PolarHBondContact O-N 3.17Å; R1348-S1351 PolarHBondContact O-OG 2.96Å |
| 1349 | V | 85.6 | Confident | 82.6 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.2 | -30.7 | 177.1 | 177.8 | 0 | 0 | 0 | 0 | 112 | I1300 L1303 I1307 I1345 F1346 G1347 S1351 I1352 I1355 | I1300-V1349 HydrophobicContact CG2-CB 4.39Å; I1300-V1349 HydrophobicContact CG2-CG2 3.94Å; L1303-V1349 HydrophobicContact CD2-CG2 3.93Å; L1303-V1349 HydrophobicContact CG-CG2 4.3Å; I1307-V1349 HydrophobicContact CD1-CB 4.14Å; I1307-V1349 HydrophobicContact CD1-CG1 3.92Å; I1307-V1349 HydrophobicContact CD1-CG2 3.71Å; I1345-V1349 PolarHBondContact O-N 3.15Å; F1346-V1349 WeakPolarHBondContact O-CB 3.18Å; F1346-V1349 PolarHBondContact O-N 2.77Å; F1346-V1349 VanDerWaalsContact O-N 3.09Å; G1347-V1349 PolarHBondContact O-N 3.21Å; V1349-S1351 PolarHBondContact O-N 3.29Å; V1349-I1352 PolarHBondContact O-N 3.35Å; V1349-I1355 HydrophobicContact CG1-CD1 3.54Å; V1349-I1355 HydrophobicContact CG1-CG2 4.19Å |
| 1350 | L | 85.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -5.4 | 173.1 | -63.8 | -168.4 | 0 | 0 | 0 | 115.1 | F1346 G1347 I1352 F1356 L1359 V1416 M1419 I1552 H1555 | F1346-L1350 HydrophobicContact CD1-CD1 4.42Å; F1346-L1350 HydrophobicContact CD1-CG 4.3Å; F1346-L1350 HydrophobicContact CE1-CD1 4.23Å; F1346-L1350 HydrophobicContact CE1-CD2 4.1Å; F1346-L1350 HydrophobicContact CE1-CG 4.17Å; F1346-L1350 PolarHBondContact O-N 2.87Å; G1347-L1350 WeakPolarHBondContact O-CB 3.31Å; G1347-L1350 PolarHBondContact O-N 3.44Å; G1347-L1350 VanDerWaalsContact O-N 3.07Å; L1350-I1352 PolarHBondContact O-N 3.36Å; L1350-F1356 HydrophobicContact CB-CD2 4.34Å; L1350-L1359 HydrophobicContact CD2-CD1 3.72Å; L1350-V1416 HydrophobicContact CD1-CG1 4.27Å; L1350-V1416 HydrophobicContact CD1-CG2 4.19Å; L1350-V1416 HydrophobicContact CD2-CG2 4.42Å; L1350-M1419 HydrophobicContact CD1-CE 3.39Å; L1350-M1419 HydrophobicContact CG-CE 4.41Å; L1350-I1552 HydrophobicContact CB-CG1 4.49Å; L1350-I1552 HydrophobicContact CD1-CD1 4.47Å; L1350-I1552 HydrophobicContact CD1-CG1 4.42Å; L1350-H1555 PolarHBondContact O-NE2 3.48Å |
| 1351 | S | 84.5 | Confident | 81.3 | Confident | 26 Ų | 26 | 29.6 Ų | 29.6 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20.5 | 168.4 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | R1348 V1349 T1353 C1551 E1554 H1555 | R1348-S1351 WeakPolarHBondContact O-CB 3.39Å; R1348-S1351 PolarHBondContact O-N 3.17Å; R1348-S1351 PolarHBondContact O-OG 2.96Å; V1349-S1351 PolarHBondContact O-N 3.29Å; S1351-T1353 PolarHBondContact O-N 3.19Å; S1351-C1551 VanDerWaalsContact CA-O 3.27Å; S1351-C1551 WeakPolarHBondContact CA-O 3.38Å; S1351-E1554 VanDerWaalsContact CB-OE2 3.31Å; S1351-E1554 WeakPolarHBondContact CB-OE2 3.42Å; S1351-H1555 PolarHBondContact O-CD2 2.89Å |
| 1352 | I | 84.5 | Confident | 79.7 | Confident | 34 Ų | 34 | 33.2 Ų | 33.2 | 17% | 0.174 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -85.8 | 109.3 | 176.6 | -56.5 | 175.9 | 0 | 0 | 0 | 108.7 | I1300 Q1301 V1349 L1350 T1354 I1355 F1356 | I1300-I1352 HydrophobicContact CB-CD1 4.42Å; I1300-I1352 HydrophobicContact CG2-CD1 3.77Å; I1300-I1352 HydrophobicContact CG2-CG1 4.33Å; Q1301-I1352 HydrophobicContact CG-CD1 3.94Å; V1349-I1352 PolarHBondContact O-N 3.35Å; L1350-I1352 PolarHBondContact O-N 3.36Å; I1352-T1354 VanDerWaalsContact C-N 3.3Å; I1352-T1354 WeakPolarHBondContact CG2-OG1 3.46Å; I1352-T1354 PolarHBondContact O-N 3.43Å; I1352-I1355 HydrophobicContact CB-CD1 3.79Å; I1352-I1355 HydrophobicContact CB-CG1 4.09Å; I1352-I1355 HydrophobicContact CD1-CD1 3.87Å; I1352-I1355 HydrophobicContact CG1-CD1 4.36Å; I1352-I1355 HydrophobicContact CG2-CD1 3.97Å; I1352-I1355 HydrophobicContact CG2-CG1 3.93Å; I1352-I1355 PolarHBondContact O-N 2.81Å; I1352-F1356 PolarHBondContact O-N 3.19Å; I1352-F1356 VanDerWaalsContact O-N 3.11Å |
| 1353 | T | 82.4 | Confident | 77.6 | Confident | 60 Ų | 60 | 39.2 Ų | 39.2 | 37% | 0.368 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -48.3 | -47.2 | -178.3 | 46.2 | 0 | 0 | 0 | 0 | 113.5 | S1351 I1355 F1356 D1357 H1555 | S1351-T1353 PolarHBondContact O-N 3.19Å; T1353-I1355 PolarHBondContact O-N 3.35Å; T1353-I1355 VanDerWaalsContact O-N 3.13Å; T1353-F1356 PolarHBondContact O-N 2.87Å; T1353-D1357 WeakPolarHBondContact O-CB 3.42Å; T1353-D1357 PolarHBondContact O-N 3.46Å; T1353-H1555 HydrophobicContact CG2-CB 3.41Å; T1353-H1555 VanDerWaalsContact CG2-CB 3.41Å |
| 1354 | T | 80.1 | Confident | 75.1 | Confident | 91 Ų | 91 | 45.9 Ų | 45.9 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.6 | -16.8 | -176.5 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | I1352 K1358 | I1352-T1354 VanDerWaalsContact C-N 3.3Å; I1352-T1354 WeakPolarHBondContact CG2-OG1 3.46Å; I1352-T1354 PolarHBondContact O-N 3.43Å; T1354-K1358 WeakPolarHBondContact O-CD 3.34Å; T1354-K1358 VanDerWaalsContact O-CG 3.28Å; T1354-K1358 WeakPolarHBondContact O-CG 3.34Å |
| 1355 | I | 80.7 | Confident | 72.6 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -92.9 | -45.7 | 173.6 | -52.9 | 173.7 | 0 | 0 | 0 | 109.6 | L1308 V1349 I1352 T1353 D1357 K1358 L1359 | L1308-I1355 HydrophobicContact CD1-CG2 4.31Å; V1349-I1355 HydrophobicContact CG1-CD1 3.54Å; V1349-I1355 HydrophobicContact CG1-CG2 4.19Å; I1352-I1355 HydrophobicContact CB-CD1 3.79Å; I1352-I1355 HydrophobicContact CB-CG1 4.09Å; I1352-I1355 HydrophobicContact CD1-CD1 3.87Å; I1352-I1355 HydrophobicContact CG1-CD1 4.36Å; I1352-I1355 HydrophobicContact CG2-CD1 3.97Å; I1352-I1355 HydrophobicContact CG2-CG1 3.93Å; I1352-I1355 PolarHBondContact O-N 2.81Å; T1353-I1355 PolarHBondContact O-N 3.35Å; T1353-I1355 VanDerWaalsContact O-N 3.13Å; I1355-D1357 VanDerWaalsContact C-N 3.35Å; I1355-D1357 PolarHBondContact O-N 2.98Å; I1355-K1358 PolarHBondContact O-N 3.12Å; I1355-L1359 HydrophobicContact CG2-CD1 3.92Å; I1355-L1359 HydrophobicContact CG2-CG 4.47Å; I1355-L1359 WeakPolarHBondContact O-CG 3.32Å; I1355-L1359 PolarHBondContact O-N 2.88Å |
| 1356 | F | 84.1 | Confident | 69.8 | Low | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.3 | -50 | 176.2 | 178.2 | -88.4 | 0 | 0 | 0 | 111.5 | L1350 I1352 T1353 K1358 L1359 C1360 V1416 I1552 H1555 N1557 L1561 | L1350-F1356 HydrophobicContact CB-CD2 4.34Å; I1352-F1356 PolarHBondContact O-N 3.19Å; I1352-F1356 VanDerWaalsContact O-N 3.11Å; T1353-F1356 PolarHBondContact O-N 2.87Å; F1356-K1358 VanDerWaalsContact C-N 3.33Å; F1356-K1358 PolarHBondContact O-N 3.49Å; F1356-L1359 PolarHBondContact O-N 3.36Å; F1356-L1359 VanDerWaalsContact O-N 3.09Å; F1356-C1360 PolarHBondContact O-N 2.85Å; F1356-V1416 HydrophobicContact CD2-CG1 4.45Å; F1356-V1416 HydrophobicContact CE2-CG1 3.86Å; F1356-I1552 HydrophobicContact CE2-CG2 4.16Å; F1356-H1555 AromaticContact CD1-CE1 3.49Å; F1356-H1555 VanDerWaalsContact CD1-CE1 3.49Å; F1356-H1555 WeakPolarHBondContact CD1-CE1 3.36Å; F1356-H1555 AromaticContact CD2-CE1 3.73Å; F1356-H1555 AromaticContact CD2-NE2 3.94Å; F1356-H1555 AromaticContact CE1-CE1 3.84Å; F1356-H1555 AromaticContact CG-CE1 3.43Å; F1356-H1555 VanDerWaalsContact CG-CE1 3.43Å; F1356-H1555 WeakPolarHBondContact CG-CE1 3.25Å; F1356-H1555 AromaticContact CG-NE2 3.79Å; F1356-N1557 HydrophobicContact CD1-CB 4.2Å; F1356-N1557 HydrophobicContact CE1-CB 3.89Å; F1356-L1561 HydrophobicContact CE2-CD2 4.23Å; F1356-L1561 HydrophobicContact CZ-CB 4.31Å; F1356-L1561 HydrophobicContact CZ-CD2 3.73Å |
| 1357 | D | 79.3 | Confident | 66.8 | Low | 47 Ų | 47 | 71.4 Ų | 71.4 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 179.8 | -65.6 | -26.5 | 0 | 0 | 0 | 111.6 | T1353 I1355 L1359 C1360 M1361 N1557 | T1353-D1357 WeakPolarHBondContact O-CB 3.42Å; T1353-D1357 PolarHBondContact O-N 3.46Å; I1355-D1357 VanDerWaalsContact C-N 3.35Å; I1355-D1357 PolarHBondContact O-N 2.98Å; D1357-L1359 VanDerWaalsContact C-N 3.28Å; D1357-L1359 PolarHBondContact O-N 2.83Å; D1357-C1360 PolarHBondContact O-N 3.43Å; D1357-M1361 WeakPolarHBondContact O-CG 3.33Å; D1357-M1361 PolarHBondContact O-N 3.22Å; D1357-N1557 PolarHBondContact OD1-ND2 3.08Å; D1357-N1557 PolarHBondContact OD2-ND2 3.17Å |
| 1358 | K | 78.8 | Confident | 63.9 | Low | 133 Ų | 133 | 79.2 Ų | 79.2 | 58% | 0.578 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.9 | -30.1 | 174.5 | -79 | -179.3 | 179.9 | -173.5 | 0 | 113.4 | L1308 T1354 I1355 F1356 | L1308-K1358 HydrophobicContact CD1-CD 4.02Å; T1354-K1358 WeakPolarHBondContact O-CD 3.34Å; T1354-K1358 VanDerWaalsContact O-CG 3.28Å; T1354-K1358 WeakPolarHBondContact O-CG 3.34Å; I1355-K1358 PolarHBondContact O-N 3.12Å; F1356-K1358 VanDerWaalsContact C-N 3.33Å; F1356-K1358 PolarHBondContact O-N 3.49Å |
| 1359 | L | 76.2 | Confident | 61.3 | Low | 8 Ų | 8 | 84.3 Ų | 84.3 | 4% | 0.042 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -89.7 | -18.2 | -178.1 | -67.9 | 174.1 | 0 | 0 | 0 | 113.6 | L1308 L1326 F1346 L1350 I1355 F1356 D1357 P1415 V1416 | L1308-L1359 HydrophobicContact CD2-CD2 3.97Å; L1326-L1359 HydrophobicContact CD2-CD2 4.03Å; F1346-L1359 HydrophobicContact CZ-CD1 4.08Å; L1350-L1359 HydrophobicContact CD2-CD1 3.72Å; I1355-L1359 HydrophobicContact CG2-CD1 3.92Å; I1355-L1359 HydrophobicContact CG2-CG 4.47Å; I1355-L1359 WeakPolarHBondContact O-CG 3.32Å; I1355-L1359 PolarHBondContact O-N 2.88Å; F1356-L1359 PolarHBondContact O-N 3.36Å; F1356-L1359 VanDerWaalsContact O-N 3.09Å; D1357-L1359 VanDerWaalsContact C-N 3.28Å; D1357-L1359 PolarHBondContact O-N 2.83Å; L1359-P1415 HydrophobicContact CB-CG 4.32Å; L1359-P1415 HydrophobicContact CD2-CG 4.14Å; L1359-V1416 HydrophobicContact CB-CG2 3.83Å |
| 1360 | C | 71.5 | Confident | 58.4 | Low | 25 Ų | 25 | 91.2 Ų | 91.2 | 17% | 0.169 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -93.2 | -22.4 | 179.8 | -73.1 | 0 | 0 | 0 | 0 | 115.5 | F1356 D1357 N1362 | F1356-C1360 PolarHBondContact O-N 2.85Å; D1357-C1360 PolarHBondContact O-N 3.43Å; C1360-N1362 PolarHBondContact O-N 2.84Å |
| 1361 | M | 53.3 | Low | 55.5 | Low | 124 Ų | 124 | 96.3 Ų | 96.3 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -84.4 | 9.6 | -158.8 | -73.4 | -71.4 | 170.7 | 0 | 0 | 117.3 | D1357 H1363 | D1357-M1361 WeakPolarHBondContact O-CG 3.33Å; D1357-M1361 PolarHBondContact O-N 3.22Å; M1361-H1363 PolarHBondContact O-N 3.38Å |
| 1362 | N | 48.5 | Very low | 52.5 | Low | 98 Ų | 98 | 99.6 Ų | 99.6 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -75.9 | -9.4 | -172 | -84.2 | -16.7 | 0 | 0 | 0 | 116.5 | C1360 N1364 | C1360-N1362 PolarHBondContact O-N 2.84Å; N1362-N1364 VanDerWaalsContact C-N 3.31Å; N1362-N1364 PolarHBondContact O-N 3.34Å |
| 1363 | H | 39.9 | Very low | 49.6 | Very low | 127 Ų | 127 | 107 Ų | 107 | 59% | 0.588 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -72.9 | -10.8 | -171.6 | -74.7 | -71.1 | 0 | 0 | 0 | 116.4 | M1361 D1414 | M1361-H1363 PolarHBondContact O-N 3.38Å; H1363-D1414 IonicContact CD2-OD2 3.68Å; H1363-D1414 IonicContact CE1-OD2 3.4Å; H1363-D1414 IonicContact NE2-OD2 2.73Å; H1363-D1414 PolarHBondContact NE2-OD2 3.28Å |
| 1364 | N | 33.5 | Very low | 46.9 | Very low | 145 Ų | 145 | 111.4 Ų | 111.4 | 78% | 0.775 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -100.2 | -1.8 | -170.1 | -76 | -21.2 | 0 | 0 | 0 | 116.1 | N1362 | N1362-N1364 VanDerWaalsContact C-N 3.31Å; N1362-N1364 PolarHBondContact O-N 3.34Å |
| 1365 | I | 32.4 | Very low | 44.2 | Very low | 156 Ų | 156 | 114.3 Ų | 114.3 | 80% | 0.8 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -28.1 | -174 | -64.8 | 179.5 | 0 | 0 | 0 | 113.6 | R1367 | I1365-R1367 PolarHBondContact O-N 3.39Š|
| 1366 | L | 27.6 | Very low | 41.6 | Very low | 157 Ų | 157 | 120.2 Ų | 120.2 | 82% | 0.822 | 62% | 0.623 | S | S | * | * | trans | -95.8 | 76.3 | 175.7 | -78.4 | 107.5 | 0 | 0 | 0 | 112.5 | ||||
| 1367 | R | 23.8 | Very low | 38.6 | Very low | 233 Ų | 233 | 125 Ų | 125 | 88% | 0.879 | 65% | 0.649 | S | S | * | * | trans | -132.8 | 37.8 | 171.9 | -132.5 | -179 | -165.8 | -156 | 4.3 | 115.3 | I1365 | I1365-R1367 PolarHBondContact O-N 3.39Š| ||
| 1368 | Q | 25.5 | Very low | 36 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | trans | -134.9 | 118 | 159.8 | -72.9 | -166 | -2.1 | 0 | 0 | 110.8 | ||||
| 1369 | P | 28.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | trans | -95.3 | 89.4 | 173 | 34.9 | -29.2 | 0 | 0 | 0 | 110.7 | ||||
| 1370 | N | 25.7 | Very low | 31 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | trans | -96.7 | 122.4 | 169.6 | -80.6 | -9.2 | 0 | 0 | 0 | 110.5 | ||||
| 1371 | S | 23.3 | Very low | 28.7 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -86.8 | 161.9 | -176.7 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1372 | S | 22.8 | Very low | 27.4 | Very low | 95 Ų | 95 | 145.5 Ų | 145.5 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | 100.1 | 138.9 | 152.9 | 81.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1373 | F | 23.9 | Very low | 26.2 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | 65.9 | 145.5 | 166.3 | -64.5 | -67.6 | 0 | 0 | 0 | 118.2 | ||||
| 1374 | L | 25.8 | Very low | 25.5 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | cis | -143.2 | 160.6 | 10.7 | -129.8 | 163.5 | 0 | 0 | 0 | 111.7 | ||||
| 1375 | H | 22.6 | Very low | 25 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | trans | -57.1 | 153 | 162.5 | -103.9 | -101.1 | 0 | 0 | 0 | 111.4 | D1377 | H1375-D1377 IonicContact CE1-OD2 2.78Å; H1375-D1377 IonicContact ND1-OD2 2.9Å; H1375-D1377 PolarHBondContact ND1-OD2 2.83Å | ||
| 1376 | C | 25.7 | Very low | 24.6 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | trans | -158.1 | 123.5 | 133.3 | -144.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1377 | D | 22.5 | Very low | 24.5 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 57% | 0.572 | 78% | 0.784 | S | S | * | * | trans | -97.9 | 168.9 | 174.3 | -66.9 | -87.8 | 0 | 0 | 0 | 111.3 | H1375 | H1375-D1377 IonicContact CE1-OD2 2.78Å; H1375-D1377 IonicContact ND1-OD2 2.9Å; H1375-D1377 PolarHBondContact ND1-OD2 2.83Å | ||
| 1378 | Y | 24.3 | Very low | 24.5 | Very low | 230 Ų | 230 | 142.5 Ų | 142.5 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | 61.5 | 112.9 | 172 | -70.2 | -81.7 | 0 | 0 | 0 | 118 | ||||
| 1379 | G | 23.7 | Very low | 24.4 | Very low | 79 Ų | 79 | 141 Ų | 141 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -84.9 | -176 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1380 | C | 25.9 | Very low | 24.3 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | -136 | 121.1 | 172 | -162 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1381 | C | 22.1 | Very low | 24.2 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -91.9 | 132 | -179 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1382 | Y | 27.2 | Very low | 24.3 | Very low | 221 Ų | 221 | 138.9 Ų | 138.9 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -131.9 | 132.9 | 158.5 | -89.9 | -79.6 | 0 | 0 | 0 | 110.6 | ||||
| 1383 | T | 22.8 | Very low | 24.4 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -123.8 | 151 | 173.1 | 58.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1384 | P | 25.5 | Very low | 24.4 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | -111.1 | 132.6 | 118.3 | 32.5 | -33.2 | 0 | 0 | 0 | 108.8 | |||||
| 1385 | Q | 23.9 | Very low | 24.6 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | 55.9 | 128.8 | 68.2 | -60.6 | -166.9 | 7 | 0 | 0 | 113.7 | |||||
| 1386 | T | 23 | Very low | 24.7 | Very low | 117 Ų | 117 | 133 Ų | 133 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | cis | -166.6 | 136.1 | -18.8 | 30 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1387 | N | 26 | Very low | 24.6 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -161.2 | 165.1 | 133.6 | -122 | -42.6 | 0 | 0 | 0 | 113.6 | ||||
| 1388 | K | 23.7 | Very low | 24.8 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | -106.3 | 169.2 | -161 | -59.5 | 175.3 | 179.4 | 174.2 | 0 | 114 | ||||
| 1389 | N | 23.6 | Very low | 25 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 86.6 | 75.3 | 157.4 | -51.5 | -25.3 | 0 | 0 | 0 | 119.6 | K1186 | K1186-N1389 WeakPolarHBondContact CE-O 3.47Å; K1186-N1389 PolarHBondContact NZ-O 3.39Å | ||
| 1390 | C | 25.6 | Very low | 25.2 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 64% | 0.635 | 76% | 0.756 | S | S | * | * | trans | -152.5 | 127.9 | 144.7 | -123.6 | 0 | 0 | 0 | 0 | 112.2 | K1186 N1392 | K1186-C1390 PolarHBondContact NZ-SG 3.29Å; C1390-N1392 PolarHBondContact O-N 3.27Å | ||
| 1391 | P | 23.9 | Very low | 25.2 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -88.6 | 85.9 | -179.4 | 34.7 | -33.1 | 0 | 0 | 0 | 111.8 | S1393 | P1391-S1393 PolarHBondContact O-N 3.06Š| ||
| 1392 | N | 26.3 | Very low | 25.6 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -90.5 | 94.8 | 168.8 | -75.4 | 0.9 | 0 | 0 | 0 | 109.9 | C1390 C1394 | C1390-N1392 PolarHBondContact O-N 3.27Å; N1392-C1394 PolarHBondContact O-N 3.49Å | ||
| 1393 | S | 23.7 | Very low | 25.5 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 90% | 0.895 | 74% | 0.739 | S | S | * | * | trans | -74.3 | 71 | 165.5 | 58.7 | 0 | 0 | 0 | 0 | 109.7 | P1391 | P1391-S1393 PolarHBondContact O-N 3.06Š| ||
| 1394 | C | 25.2 | Very low | 25.7 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 64% | 0.635 | 74% | 0.744 | S | S | * | * | trans | -125.6 | 115.9 | 179.3 | -67.9 | 0 | 0 | 0 | 0 | 108.6 | N1392 | N1392-C1394 PolarHBondContact O-N 3.49Š| ||
| 1395 | L | 28.5 | Very low | 26.2 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | 53.6 | 92.8 | 169.3 | -58.1 | 170.8 | 0 | 0 | 0 | 114.6 | R1397 | L1395-R1397 PolarHBondContact O-N 2.91Š| ||
| 1396 | S | 24.7 | Very low | 27 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 61% | 0.608 | 72% | 0.718 | S | S | * | * | trans | -48.9 | 120.8 | 156 | 26.3 | 0 | 0 | 0 | 0 | 109.1 | D1398 | S1396-D1398 PolarHBondContact O-N 2.69Š| ||
| 1397 | R | 25.2 | Very low | 28 | Very low | 236 Ų | 236 | 131.4 Ų | 131.4 | 89% | 0.891 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 19.8 | -162.6 | -159.9 | 166.1 | 175.8 | 155.6 | -2.8 | 113.1 | L1395 | L1395-R1397 PolarHBondContact O-N 2.91Š|
| 1398 | D | 25.8 | Very low | 28.9 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -14.9 | -164.9 | -53.3 | -66.2 | 0 | 0 | 0 | 112.9 | S1396 L1400 N1401 | S1396-D1398 PolarHBondContact O-N 2.69Å; D1398-L1400 PolarHBondContact O-N 2.77Å; D1398-N1401 PolarHBondContact O-N 2.83Å; D1398-N1401 VanDerWaalsContact O-N 3.13Å |
| 1399 | E | 27.8 | Very low | 30 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -4.3 | -178.6 | -65.2 | -165.5 | 132.3 | 0 | 0 | 115 | ||
| 1400 | L | 29.6 | Very low | 31.5 | Very low | 169 Ų | 169 | 122.7 Ų | 122.7 | 89% | 0.885 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -1.3 | 173.2 | -76 | 172.4 | 0 | 0 | 0 | 114.1 | D1398 | D1398-L1400 PolarHBondContact O-N 2.77Š|
| 1401 | N | 25.2 | Very low | 33 | Very low | 153 Ų | 153 | 119 Ų | 119 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | trans | -114.9 | 41.5 | 176.2 | -82.7 | -24.8 | 0 | 0 | 0 | 112.9 | D1398 S1403 | D1398-N1401 PolarHBondContact O-N 2.83Å; D1398-N1401 VanDerWaalsContact O-N 3.13Å; N1401-S1403 PolarHBondContact O-N 3.22Å | ||
| 1402 | I | 29.9 | Very low | 34.6 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 62% | 0.621 | 63% | 0.627 | S | S | * | * | trans | -75.7 | 117.6 | 166.5 | -61.3 | -178.9 | 0 | 0 | 0 | 108.9 | ||||
| 1403 | S | 25.4 | Very low | 36.3 | Very low | 96 Ų | 96 | 113.8 Ų | 113.8 | 67% | 0.671 | 62% | 0.616 | S | S | * | * | trans | -67.3 | 146.5 | -175.7 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | N1401 | N1401-S1403 PolarHBondContact O-N 3.22Š| ||
| 1404 | N | 27.9 | Very low | 38.8 | Very low | 146 Ų | 146 | 108.2 Ų | 108.2 | 78% | 0.781 | 58% | 0.577 | S | S | * | * | trans | 37.1 | 79.5 | 160.2 | -64.9 | -4.8 | 0 | 0 | 0 | 117.1 | ||||
| 1405 | N | 34.7 | Very low | 41.3 | Very low | 85 Ų | 85 | 104 Ų | 104 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | trans | -136.5 | 94.3 | 161.6 | -123.9 | -55.3 | 0 | 0 | 0 | 109.7 | N1407 N1408 | N1405-N1407 PolarHBondContact O-N 3.44Å; N1405-N1407 VanDerWaalsContact O-N 3.1Å; N1405-N1408 PolarHBondContact O-N 3.5Å; N1405-N1408 VanDerWaalsContact O-N 3.17Å | ||
| 1406 | D | 41.2 | Very low | 43.9 | Very low | 104 Ų | 104 | 96.7 Ų | 96.7 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.2 | -170.5 | -72.1 | -60.3 | 0 | 0 | 0 | 114.2 | N1408 K1409 | D1406-N1408 PolarHBondContact O-N 3.05Å; D1406-K1409 WeakPolarHBondContact O-CB 3.28Å; D1406-K1409 PolarHBondContact O-N 2.97Å; D1406-K1409 WeakPolarHBondContact OD1-CD 3.43Å; D1406-K1409 WeakPolarHBondContact OD1-CE 3.38Å; D1406-K1409 IonicContact OD1-NZ 2.63Å; D1406-K1409 PolarHBondContact OD1-NZ 3.15Å |
| 1407 | N | 43.7 | Very low | 46.7 | Very low | 109 Ų | 109 | 94.5 Ų | 94.5 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -49.6 | -41.7 | 172.2 | -69.1 | -47.5 | 0 | 0 | 0 | 112.5 | N1405 K1409 S1410 | N1405-N1407 PolarHBondContact O-N 3.44Å; N1405-N1407 VanDerWaalsContact O-N 3.1Å; N1407-K1409 VanDerWaalsContact C-N 3.3Å; N1407-K1409 PolarHBondContact O-N 3.18Å; N1407-S1410 PolarHBondContact O-N 3.1Å; N1407-S1410 VanDerWaalsContact O-N 3.16Å; N1407-S1410 PolarHBondContact O-OG 3.32Å |
| 1408 | N | 46.3 | Very low | 49.5 | Very low | 111 Ų | 111 | 86.1 Ų | 86.1 | 59% | 0.594 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.2 | -24.2 | -178 | -73.4 | -1.9 | 0 | 0 | 0 | 113.3 | N1405 D1406 S1410 | N1405-N1408 PolarHBondContact O-N 3.5Å; N1405-N1408 VanDerWaalsContact O-N 3.17Å; D1406-N1408 PolarHBondContact O-N 3.05Å; N1408-S1410 VanDerWaalsContact C-N 3.34Å |
| 1409 | K | 46.6 | Very low | 52.3 | Low | 137 Ų | 137 | 80.1 Ų | 80.1 | 60% | 0.596 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.7 | -33.4 | 173.5 | -60.8 | 173.5 | -174.6 | 163.2 | 0 | 111.2 | D1406 N1407 | D1406-K1409 WeakPolarHBondContact O-CB 3.28Å; D1406-K1409 PolarHBondContact O-N 2.97Å; D1406-K1409 WeakPolarHBondContact OD1-CD 3.43Å; D1406-K1409 WeakPolarHBondContact OD1-CE 3.38Å; D1406-K1409 IonicContact OD1-NZ 2.63Å; D1406-K1409 PolarHBondContact OD1-NZ 3.15Å; N1407-K1409 VanDerWaalsContact C-N 3.3Å; N1407-K1409 PolarHBondContact O-N 3.18Å |
| 1410 | S | 53.8 | Low | 55.1 | Low | 43 Ų | 43 | 73.5 Ų | 73.5 | 30% | 0.301 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | -179.1 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | N1407 N1408 L1412 S1413 D1414 | N1407-S1410 PolarHBondContact O-N 3.1Å; N1407-S1410 VanDerWaalsContact O-N 3.16Å; N1407-S1410 PolarHBondContact O-OG 3.32Å; N1408-S1410 VanDerWaalsContact C-N 3.34Å; S1410-L1412 VanDerWaalsContact C-N 3.26Å; S1410-L1412 PolarHBondContact O-N 3.41Å; S1410-S1413 PolarHBondContact O-N 2.98Å; S1410-S1413 PolarHBondContact O-OG 3.4Å; S1410-D1414 PolarHBondContact O-N 3.26Å |
| 1411 | V | 57.5 | Low | 57.7 | Low | 16 Ų | 16 | 67.6 Ų | 67.6 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.2 | -37.8 | -178.6 | -160.2 | 0 | 0 | 0 | 0 | 112.4 | L1334 S1413 W1418 | L1334-V1411 HydrophobicContact CD1-CG1 3.98Å; V1411-S1413 VanDerWaalsContact C-N 3.32Å; V1411-W1418 HydrophobicContact CB-CD2 4.42Å; V1411-W1418 HydrophobicContact CG1-CD2 4.04Å; V1411-W1418 HydrophobicContact CG1-CE3 3.94Å; V1411-W1418 HydrophobicContact CG1-CH2 4.37Å; V1411-W1418 HydrophobicContact CG1-CZ2 4.46Å; V1411-W1418 HydrophobicContact CG1-CZ3 4.14Å; V1411-W1418 HydrophobicContact CG2-CD2 4.01Å; V1411-W1418 HydrophobicContact CG2-CG 4.36Å; V1411-W1418 HydrophobicContact CG2-CH2 4.37Å; V1411-W1418 HydrophobicContact CG2-CZ2 3.72Å |
| 1412 | L | 58.5 | Low | 60.5 | Low | 68 Ų | 68 | 61.2 Ų | 61.2 | 36% | 0.356 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -76.6 | -17.6 | 179.9 | -65.8 | 171.5 | 0 | 0 | 0 | 113.1 | I1331 S1410 | I1331-L1412 HydrophobicContact CD1-CD2 4.14Å; S1410-L1412 VanDerWaalsContact C-N 3.26Å; S1410-L1412 PolarHBondContact O-N 3.41Å |
| 1413 | S | 62.1 | Low | 63.1 | Low | 68 Ų | 68 | 55.4 Ų | 55.4 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -88.8 | -41.7 | -178.7 | 69.4 | 0 | 0 | 0 | 0 | 113.2 | S1410 V1411 | S1410-S1413 PolarHBondContact O-N 2.98Å; S1410-S1413 PolarHBondContact O-OG 3.4Å; V1411-S1413 VanDerWaalsContact C-N 3.32Å |
| 1414 | D | 74.8 | Confident | 65.9 | Low | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.059 | 29% | 0.29 | C | S | . | . | trans | -152.5 | 89.9 | 177.9 | -172.9 | -26.8 | 0 | 0 | 0 | 110.1 | H1363 S1410 V1416 N1417 W1418 | H1363-D1414 IonicContact CD2-OD2 3.68Å; H1363-D1414 IonicContact CE1-OD2 3.4Å; H1363-D1414 IonicContact NE2-OD2 2.73Å; H1363-D1414 PolarHBondContact NE2-OD2 3.28Å; S1410-D1414 PolarHBondContact O-N 3.26Å; D1414-V1416 VanDerWaalsContact C-N 3.26Å; D1414-V1416 PolarHBondContact O-N 2.66Å; D1414-V1416 PolarHBondContact OD1-N 3.01Å; D1414-N1417 PolarHBondContact OD1-N 2.72Å; D1414-N1417 PolarHBondContact OD2-ND2 3.43Å; D1414-W1418 VanDerWaalsContact O-CB 3.3Å; D1414-W1418 WeakPolarHBondContact O-CB 3.38Å; D1414-W1418 PolarHBondContact O-N 2.93Å | ||
| 1415 | P | 77.9 | Confident | 68.5 | Low | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71 | -22 | -176.2 | 28.3 | -35.1 | 0 | 0 | 0 | 112.8 | L1326 L1334 L1359 M1419 | L1326-P1415 HydrophobicContact CD1-CB 4.25Å; L1326-P1415 HydrophobicContact CD1-CG 4.25Å; L1334-P1415 HydrophobicContact CD1-CB 4.18Å; L1359-P1415 HydrophobicContact CB-CG 4.32Å; L1359-P1415 HydrophobicContact CD2-CG 4.14Å; P1415-M1419 VanDerWaalsContact O-CB 3.29Å; P1415-M1419 WeakPolarHBondContact O-CB 3.47Å; P1415-M1419 PolarHBondContact O-N 3.27Å; P1415-M1419 VanDerWaalsContact O-N 3.13Å |
| 1416 | V | 83 | Confident | 70.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -79.4 | -48.6 | -176.2 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | L1350 F1356 L1359 D1414 M1419 L1420 L1561 | L1350-V1416 HydrophobicContact CD1-CG1 4.27Å; L1350-V1416 HydrophobicContact CD1-CG2 4.19Å; L1350-V1416 HydrophobicContact CD2-CG2 4.42Å; F1356-V1416 HydrophobicContact CD2-CG1 4.45Å; F1356-V1416 HydrophobicContact CE2-CG1 3.86Å; L1359-V1416 HydrophobicContact CB-CG2 3.83Å; D1414-V1416 VanDerWaalsContact C-N 3.26Å; D1414-V1416 PolarHBondContact O-N 2.66Å; D1414-V1416 PolarHBondContact OD1-N 3.01Å; V1416-M1419 PolarHBondContact O-N 3.07Å; V1416-L1420 WeakPolarHBondContact O-CG 3.39Å; V1416-L1420 PolarHBondContact O-N 3.34Å; V1416-L1561 HydrophobicContact CG1-CD2 3.96Å |
| 1417 | N | 83.8 | Confident | 73.1 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 22% | 0.219 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 174.7 | -83 | -62.6 | 0 | 0 | 0 | 111.7 | D1414 M1419 L1420 D1421 R1565 | D1414-N1417 PolarHBondContact OD1-N 2.72Å; D1414-N1417 PolarHBondContact OD2-ND2 3.43Å; N1417-M1419 VanDerWaalsContact C-N 3.34Å; N1417-M1419 PolarHBondContact O-N 3.05Å; N1417-L1420 PolarHBondContact O-N 3.31Å; N1417-D1421 PolarHBondContact O-N 2.94Å; N1417-R1565 WeakPolarHBondContact OD1-CD 3.47Å; N1417-R1565 PolarHBondContact OD1-NH1 3.15Å |
| 1418 | W | 83.9 | Confident | 75.3 | Confident | 60 Ų | 60 | 45.7 Ų | 45.7 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.2 | -45.9 | 175.6 | -178.9 | 87.6 | 0 | 0 | 0 | 112.4 | L1334 V1411 D1414 L1420 D1421 I1422 | L1334-W1418 HydrophobicContact CB-CH2 4.42Å; L1334-W1418 HydrophobicContact CB-CZ3 3.91Å; L1334-W1418 HydrophobicContact CD2-CE3 4.5Å; L1334-W1418 HydrophobicContact CD2-CZ3 4.11Å; L1334-W1418 HydrophobicContact CG-CZ3 4.48Å; L1334-W1418 WeakPolarHBondContact O-CH2 3.49Å; V1411-W1418 HydrophobicContact CB-CD2 4.42Å; V1411-W1418 HydrophobicContact CG1-CD2 4.04Å; V1411-W1418 HydrophobicContact CG1-CE3 3.94Å; V1411-W1418 HydrophobicContact CG1-CH2 4.37Å; V1411-W1418 HydrophobicContact CG1-CZ2 4.46Å; V1411-W1418 HydrophobicContact CG1-CZ3 4.14Å; V1411-W1418 HydrophobicContact CG2-CD2 4.01Å; V1411-W1418 HydrophobicContact CG2-CG 4.36Å; V1411-W1418 HydrophobicContact CG2-CH2 4.37Å; V1411-W1418 HydrophobicContact CG2-CZ2 3.72Å; D1414-W1418 VanDerWaalsContact O-CB 3.3Å; D1414-W1418 WeakPolarHBondContact O-CB 3.38Å; D1414-W1418 PolarHBondContact O-N 2.93Å; W1418-L1420 PolarHBondContact O-N 3.43Å; W1418-D1421 PolarHBondContact O-N 3.02Å; W1418-I1422 HydrophobicContact CD2-CD1 4.03Å; W1418-I1422 HydrophobicContact CE3-CD1 4.04Å; W1418-I1422 HydrophobicContact CH2-CD1 3.35Å; W1418-I1422 HydrophobicContact CZ2-CD1 3.3Å; W1418-I1422 HydrophobicContact CZ3-CD1 3.71Å; W1418-I1422 PolarHBondContact O-N 3.13Å; W1418-I1422 VanDerWaalsContact O-N 3.1Å |
| 1419 | M | 84.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.5 | -33.7 | 178.5 | -171.9 | 178.6 | 50.9 | 0 | 0 | 112.5 | L1334 F1346 L1350 P1415 V1416 N1417 D1421 I1422 A1423 L1548 | L1334-M1419 HydrophobicContact CD2-SD 4.06Å; F1346-M1419 HydrophobicContact CD1-CE 3.69Å; F1346-M1419 HydrophobicContact CD1-SD 3.81Å; F1346-M1419 HydrophobicContact CE1-CE 4.1Å; L1350-M1419 HydrophobicContact CD1-CE 3.39Å; L1350-M1419 HydrophobicContact CG-CE 4.41Å; P1415-M1419 VanDerWaalsContact O-CB 3.29Å; P1415-M1419 WeakPolarHBondContact O-CB 3.47Å; P1415-M1419 PolarHBondContact O-N 3.27Å; P1415-M1419 VanDerWaalsContact O-N 3.13Å; V1416-M1419 PolarHBondContact O-N 3.07Å; N1417-M1419 VanDerWaalsContact C-N 3.34Å; N1417-M1419 PolarHBondContact O-N 3.05Å; M1419-D1421 VanDerWaalsContact C-N 3.35Å; M1419-I1422 PolarHBondContact O-N 3.05Å; M1419-A1423 WeakPolarHBondContact O-CB 3.48Å; M1419-A1423 PolarHBondContact O-N 3.36Å; M1419-L1548 HydrophobicContact CE-CD1 3.63Å; M1419-L1548 HydrophobicContact CE-CD2 4.21Å; M1419-L1548 HydrophobicContact CG-CD2 3.8Å; M1419-L1548 HydrophobicContact SD-CD1 3.99Å; M1419-L1548 HydrophobicContact SD-CD2 3.99Å |
| 1420 | L | 86.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.6 | -36 | 173 | -74.9 | 174.7 | 0 | 0 | 0 | 112.5 | V1416 N1417 W1418 A1423 R1424 Y1549 I1552 L1561 L1562 | V1416-L1420 WeakPolarHBondContact O-CG 3.39Å; V1416-L1420 PolarHBondContact O-N 3.34Å; N1417-L1420 PolarHBondContact O-N 3.31Å; W1418-L1420 PolarHBondContact O-N 3.43Å; L1420-A1423 WeakPolarHBondContact O-CB 3.24Å; L1420-A1423 PolarHBondContact O-N 3.06Å; L1420-R1424 PolarHBondContact O-N 3.49Å; L1420-Y1549 HydrophobicContact CD2-CD1 4.01Å; L1420-Y1549 HydrophobicContact CD2-CE1 3.75Å; L1420-I1552 HydrophobicContact CD2-CD1 3.67Å; L1420-I1552 HydrophobicContact CG-CD1 4.32Å; L1420-L1561 HydrophobicContact CD1-CD2 3.87Å; L1420-L1561 HydrophobicContact CD1-CG 4.27Å; L1420-L1562 HydrophobicContact CD1-CD2 4.5Å; L1420-L1562 HydrophobicContact CD2-CD2 3.79Å |
| 1421 | D | 85 | Confident | 80.8 | Confident | 45 Ų | 45 | 35.1 Ų | 35.1 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.1 | -31.2 | 175 | -76.8 | -54.5 | 0 | 0 | 0 | 113 | N1417 W1418 M1419 R1424 K1425 R1565 | N1417-D1421 PolarHBondContact O-N 2.94Å; W1418-D1421 PolarHBondContact O-N 3.02Å; M1419-D1421 VanDerWaalsContact C-N 3.35Å; D1421-R1424 IonicContact OD1-CZ 2.79Å; D1421-R1424 IonicContact OD1-NE 2.72Å; D1421-R1424 IonicContact OD1-NH2 3.22Å; D1421-R1424 PolarHBondContact OD1-NH2 3.23Å; D1421-K1425 WeakPolarHBondContact O-CB 3.4Å; D1421-K1425 VanDerWaalsContact O-CG 3.28Å; D1421-K1425 WeakPolarHBondContact O-CG 3.47Å; D1421-K1425 PolarHBondContact O-N 2.89Å; D1421-K1425 VanDerWaalsContact O-N 3.11Å; D1421-R1565 VanDerWaalsContact CG-NH2 3.35Å; D1421-R1565 IonicContact OD1-CZ 2.61Å; D1421-R1565 IonicContact OD1-NH2 2.66Å; D1421-R1565 PolarHBondContact OD1-NH2 3.34Å; D1421-R1565 IonicContact OD2-CZ 3.54Å; D1421-R1565 IonicContact OD2-NH1 2.97Å; D1421-R1565 PolarHBondContact OD2-NH1 2.68Å; D1421-R1565 IonicContact OD2-NH2 3.97Å; D1421-R1565 PolarHBondContact OD2-NH2 2.92Å |
| 1422 | I | 84.1 | Confident | 82.2 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 9% | 0.092 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.7 | -36.9 | 168.4 | -73.6 | -177.3 | 0 | 0 | 0 | 112.2 | W1418 M1419 K1425 H1426 Y1427 | W1418-I1422 HydrophobicContact CD2-CD1 4.03Å; W1418-I1422 HydrophobicContact CE3-CD1 4.04Å; W1418-I1422 HydrophobicContact CH2-CD1 3.35Å; W1418-I1422 HydrophobicContact CZ2-CD1 3.3Å; W1418-I1422 HydrophobicContact CZ3-CD1 3.71Å; W1418-I1422 PolarHBondContact O-N 3.13Å; W1418-I1422 VanDerWaalsContact O-N 3.1Å; M1419-I1422 PolarHBondContact O-N 3.05Å; I1422-K1425 PolarHBondContact O-N 3.36Å; I1422-H1426 PolarHBondContact O-N 3.49Å; I1422-Y1427 PolarHBondContact O-N 3.4Å |
| 1423 | A | 84.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -54 | -55.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | M1419 L1420 K1425 Y1427 N1428 L1548 Y1549 | M1419-A1423 WeakPolarHBondContact O-CB 3.48Å; M1419-A1423 PolarHBondContact O-N 3.36Å; L1420-A1423 WeakPolarHBondContact O-CB 3.24Å; L1420-A1423 PolarHBondContact O-N 3.06Å; A1423-K1425 PolarHBondContact O-N 3.44Å; A1423-Y1427 HydrophobicContact CB-CD1 4.31Å; A1423-Y1427 PolarHBondContact O-N 2.92Å; A1423-N1428 WeakPolarHBondContact O-CB 3.4Å; A1423-N1428 PolarHBondContact O-N 3.44Å; A1423-N1428 PolarHBondContact O-OD1 3.22Å; A1423-N1428 VanDerWaalsContact O-OD1 3.06Å; A1423-L1548 HydrophobicContact CB-CD2 3.89Å; A1423-Y1549 HydrophobicContact CB-CD1 4.44Å; A1423-Y1549 HydrophobicContact CB-CE1 3.52Å |
| 1424 | R | 83.8 | Confident | 84.5 | Confident | 113 Ų | 113 | 32.7 Ų | 32.7 | 43% | 0.426 | 15% | 0.154 | S | C | . | . | I | π-helix | trans | -63.8 | -37 | -179.3 | -179.8 | 166.2 | 62.4 | 172.2 | 9 | 114 | L1420 D1421 D1567 | L1420-R1424 PolarHBondContact O-N 3.49Å; D1421-R1424 IonicContact OD1-CZ 2.79Å; D1421-R1424 IonicContact OD1-NE 2.72Å; D1421-R1424 IonicContact OD1-NH2 3.22Å; D1421-R1424 PolarHBondContact OD1-NH2 3.23Å; R1424-D1567 WeakPolarHBondContact CD-OD1 3.4Å; R1424-D1567 IonicContact CZ-OD1 3.82Å; R1424-D1567 VanDerWaalsContact CZ-OD1 3.29Å; R1424-D1567 IonicContact NE-OD1 2.94Å; R1424-D1567 PolarHBondContact NE-OD1 3.47Å; R1424-D1567 IonicContact NH1-OD1 3.66Å; R1424-D1567 PolarHBondContact NH1-OD1 3.09Å |
| 1425 | K | 82.8 | Confident | 84.9 | Confident | 144 Ų | 144 | 32.2 Ų | 32.2 | 63% | 0.626 | 15% | 0.152 | S | C | * | . | I | π-helix | trans | -84.8 | -38.3 | -177.3 | -72.3 | 177 | 179.7 | 179.2 | 0 | 114.2 | D1421 I1422 A1423 | D1421-K1425 WeakPolarHBondContact O-CB 3.4Å; D1421-K1425 VanDerWaalsContact O-CG 3.28Å; D1421-K1425 WeakPolarHBondContact O-CG 3.47Å; D1421-K1425 PolarHBondContact O-N 2.89Å; D1421-K1425 VanDerWaalsContact O-N 3.11Å; I1422-K1425 PolarHBondContact O-N 3.36Å; A1423-K1425 PolarHBondContact O-N 3.44Å |
| 1426 | H | 83.1 | Confident | 85 | Confident | 66 Ų | 66 | 34 Ų | 34 | 31% | 0.306 | 16% | 0.161 | S | C | . | . | I | π-helix | trans | -138.1 | -49.2 | -166.3 | -58 | -61.6 | 0 | 0 | 0 | 113.8 | I1422 N1428 V1429 A1430 Y1518 | I1422-H1426 PolarHBondContact O-N 3.49Å; H1426-N1428 PolarHBondContact O-N 3.15Å; H1426-V1429 PolarHBondContact O-N 3.06Å; H1426-A1430 PolarHBondContact O-N 3.12Å; H1426-Y1518 HydrophobicContact CB-CE1 3.78Å; H1426-Y1518 AromaticContact CD2-CD1 3.86Å; H1426-Y1518 AromaticContact CD2-CE1 3.43Å; H1426-Y1518 VanDerWaalsContact CD2-CE1 3.43Å; H1426-Y1518 WeakPolarHBondContact CD2-CE1 3.35Å; H1426-Y1518 AromaticContact CD2-CZ 3.95Å; H1426-Y1518 AromaticContact CG-CE1 3.45Å; H1426-Y1518 VanDerWaalsContact CG-CE1 3.45Å; H1426-Y1518 AromaticContact ND1-CE1 3.98Å; H1426-Y1518 AromaticContact NE2-CD1 3.94Å |
| 1427 | Y | 87.6 | Confident | 84.7 | Confident | 6 Ų | 6 | 36 Ų | 36 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -68.9 | -35.5 | -168 | 156.8 | -74.2 | 0 | 0 | 0 | 113.1 | P1340 H1343 R1344 I1422 A1423 V1429 A1430 Y1431 H1547 L1548 | P1340-Y1427 HydrophobicContact CB-CD2 3.73Å; P1340-Y1427 HydrophobicContact CB-CE2 3.73Å; H1343-Y1427 HydrophobicContact CB-CD2 3.99Å; H1343-Y1427 HydrophobicContact CB-CE2 4.21Å; R1344-Y1427 HydrophobicContact CG-CE2 3.93Å; R1344-Y1427 VanDerWaalsContact CG-OH 3.24Å; R1344-Y1427 WeakPolarHBondContact CG-OH 3.47Å; I1422-Y1427 PolarHBondContact O-N 3.4Å; A1423-Y1427 HydrophobicContact CB-CD1 4.31Å; A1423-Y1427 PolarHBondContact O-N 2.92Å; Y1427-V1429 VanDerWaalsContact C-N 3.29Å; Y1427-V1429 PolarHBondContact O-N 3.18Å; Y1427-A1430 PolarHBondContact O-N 3.2Å; Y1427-Y1431 WeakPolarHBondContact O-CB 3.34Å; Y1427-Y1431 PolarHBondContact O-N 3.08Å; Y1427-Y1431 WeakPolarHBondContact OH-CD2 3.36Å; Y1427-H1547 AromaticContact CE1-CD2 3.78Å; Y1427-H1547 AromaticContact CE1-NE2 3.48Å; Y1427-H1547 WeakPolarHBondContact CE1-NE2 3.5Å; Y1427-L1548 HydrophobicContact CD1-CB 4.48Å; Y1427-L1548 HydrophobicContact CE1-CB 3.8Å |
| 1428 | N | 90 | Very high | 84.2 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 176.6 | -63 | 0.7 | 0 | 0 | 0 | 111 | A1423 H1426 Y1431 A1432 H1547 Y1549 A1604 | A1423-N1428 WeakPolarHBondContact O-CB 3.4Å; A1423-N1428 PolarHBondContact O-N 3.44Å; A1423-N1428 PolarHBondContact O-OD1 3.22Å; A1423-N1428 VanDerWaalsContact O-OD1 3.06Å; H1426-N1428 PolarHBondContact O-N 3.15Å; N1428-Y1431 PolarHBondContact O-N 3.26Å; N1428-A1432 PolarHBondContact O-N 3.46Å; N1428-A1432 VanDerWaalsContact O-N 3.13Å; N1428-H1547 PolarHBondContact OD1-CE1 2.93Å; N1428-H1547 VanDerWaalsContact OD1-CE1 3.3Å; N1428-H1547 PolarHBondContact OD1-NE2 2.91Å; N1428-Y1549 PolarHBondContact ND2-OH 3.28Å; N1428-A1604 HydrophobicContact CB-CB 4.08Å; N1428-A1604 VanDerWaalsContact O-CB 3.26Å; N1428-A1604 WeakPolarHBondContact O-CB 3.38Å |
| 1429 | V | 88.6 | Confident | 83.7 | Confident | 43 Ų | 43 | 34.2 Ų | 34.2 | 26% | 0.261 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.5 | -43.4 | 177.8 | 179 | 0 | 0 | 0 | 0 | 111.1 | H1426 Y1427 Y1431 A1432 Q1433 L1600 A1604 | H1426-V1429 PolarHBondContact O-N 3.06Å; Y1427-V1429 VanDerWaalsContact C-N 3.29Å; Y1427-V1429 PolarHBondContact O-N 3.18Å; V1429-Y1431 VanDerWaalsContact C-N 3.3Å; V1429-Y1431 PolarHBondContact O-N 2.95Å; V1429-A1432 PolarHBondContact O-N 2.95Å; V1429-Q1433 WeakPolarHBondContact O-CG 3.45Å; V1429-Q1433 PolarHBondContact O-N 3.34Å; V1429-L1600 HydrophobicContact CG1-CD2 3.63Å; V1429-L1600 HydrophobicContact CG1-CG 4Å; V1429-A1604 HydrophobicContact CG2-CB 4.24Å |
| 1430 | A | 85.6 | Confident | 83 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H1426 Y1427 Q1433 E1434 | H1426-A1430 PolarHBondContact O-N 3.12Å; Y1427-A1430 PolarHBondContact O-N 3.2Å; A1430-Q1433 PolarHBondContact O-N 2.88Å; A1430-E1434 WeakPolarHBondContact O-CB 3.44Å; A1430-E1434 PolarHBondContact O-N 3Å |
| 1431 | Y | 89 | Confident | 81.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 173 | -177.9 | -83.4 | 0 | 0 | 0 | 111.3 | Y1427 N1428 V1429 Q1433 E1434 M1435 L1544 P1545 H1547 W1607 H1611 | Y1427-Y1431 WeakPolarHBondContact O-CB 3.34Å; Y1427-Y1431 PolarHBondContact O-N 3.08Å; Y1427-Y1431 WeakPolarHBondContact OH-CD2 3.36Å; N1428-Y1431 PolarHBondContact O-N 3.26Å; V1429-Y1431 VanDerWaalsContact C-N 3.3Å; V1429-Y1431 PolarHBondContact O-N 2.95Å; Y1431-Q1433 VanDerWaalsContact C-N 3.33Å; Y1431-Q1433 PolarHBondContact O-N 3.29Å; Y1431-E1434 PolarHBondContact O-N 3.12Å; Y1431-M1435 HydrophobicContact CD1-CG 4.01Å; Y1431-M1435 HydrophobicContact CE1-CG 3.54Å; Y1431-M1435 HydrophobicContact CE1-SD 4.33Å; Y1431-M1435 WeakPolarHBondContact O-CG 3.34Å; Y1431-M1435 PolarHBondContact O-N 2.89Å; Y1431-L1544 VanDerWaalsContact OH-CD1 3.29Å; Y1431-L1544 WeakPolarHBondContact OH-CD1 3.48Å; Y1431-P1545 HydrophobicContact CE2-CB 4.34Å; Y1431-P1545 WeakPolarHBondContact CE2-O 3.4Å; Y1431-P1545 PolarHBondContact OH-O 3.07Å; Y1431-H1547 AromaticContact CD1-CD2 3.85Å; Y1431-H1547 AromaticContact CD2-CD2 3.85Å; Y1431-H1547 AromaticContact CG-CD2 3.69Å; Y1431-W1607 HydrophobicContact CD1-CB 4.17Å; Y1431-W1607 HydrophobicContact CD1-CG 4.28Å; Y1431-W1607 HydrophobicContact CE1-CB 4.01Å; Y1431-W1607 HydrophobicContact CE1-CD2 4.21Å; Y1431-W1607 AromaticContact CE1-CG 3.96Å; Y1431-W1607 HydrophobicContact CE1-CG 3.96Å; Y1431-H1611 AromaticContact CZ-NE2 3.98Å; Y1431-H1611 PolarHBondContact OH-NE2 3.13Å; Y1431-H1611 VanDerWaalsContact OH-NE2 3.07Å |
| 1432 | A | 87.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1428 V1429 M1435 D1436 L1600 K1603 A1604 | N1428-A1432 PolarHBondContact O-N 3.46Å; N1428-A1432 VanDerWaalsContact O-N 3.13Å; V1429-A1432 PolarHBondContact O-N 2.95Å; A1432-M1435 PolarHBondContact O-N 3.23Å; A1432-D1436 PolarHBondContact O-N 2.95Å; A1432-L1600 HydrophobicContact CB-CD1 3.9Å; A1432-K1603 HydrophobicContact CB-CB 4.15Å; A1432-A1604 HydrophobicContact CB-CB 4.07Å |
| 1433 | Q | 85.7 | Confident | 79.7 | Confident | 65 Ų | 65 | 40 Ų | 40 | 30% | 0.304 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 173.2 | -68.2 | 178.2 | -14.9 | 0 | 0 | 112.6 | V1429 A1430 Y1431 M1435 D1436 S1437 L1600 | V1429-Q1433 WeakPolarHBondContact O-CG 3.45Å; V1429-Q1433 PolarHBondContact O-N 3.34Å; A1430-Q1433 PolarHBondContact O-N 2.88Å; Y1431-Q1433 VanDerWaalsContact C-N 3.33Å; Y1431-Q1433 PolarHBondContact O-N 3.29Å; Q1433-M1435 VanDerWaalsContact C-N 3.32Å; Q1433-M1435 PolarHBondContact O-N 3.48Å; Q1433-D1436 PolarHBondContact O-N 3.15Å; Q1433-S1437 WeakPolarHBondContact O-CB 3.31Å; Q1433-S1437 PolarHBondContact O-N 3.36Å; Q1433-S1437 PolarHBondContact O-OG 3.46Å; Q1433-L1600 HydrophobicContact CG-CD1 3.84Å; Q1433-L1600 HydrophobicContact CG-CD2 3.58Å; Q1433-L1600 HydrophobicContact CG-CG 4.26Å; Q1433-L1600 VanDerWaalsContact NE2-CD2 3.31Å |
| 1434 | E | 82.2 | Confident | 78.5 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 17% | 0.168 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.6 | -171 | -179.1 | 156.4 | 0 | 0 | 110.1 | P1340 R1344 A1430 Y1431 S1437 R1438 | P1340-E1434 WeakPolarHBondContact CG-OE2 3.19Å; R1344-E1434 IonicContact CZ-OE1 3.65Å; R1344-E1434 IonicContact CZ-OE2 3.92Å; R1344-E1434 IonicContact NH1-OE1 2.69Å; R1344-E1434 IonicContact NH1-OE2 3.22Å; R1344-E1434 PolarHBondContact NH1-OE2 2.94Å; R1344-E1434 IonicContact NH2-OE1 3.93Å; R1344-E1434 PolarHBondContact NH2-OE1 3.14Å; R1344-E1434 IonicContact NH2-OE2 2.77Å; R1344-E1434 PolarHBondContact NH2-OE2 2.96Å; A1430-E1434 WeakPolarHBondContact O-CB 3.44Å; A1430-E1434 PolarHBondContact O-N 3Å; Y1431-E1434 PolarHBondContact O-N 3.12Å; E1434-S1437 PolarHBondContact O-N 2.92Å; E1434-S1437 PolarHBondContact O-OG 2.8Å; E1434-R1438 VanDerWaalsContact O-CG 3.32Å; E1434-R1438 WeakPolarHBondContact O-CG 3.16Å; E1434-R1438 PolarHBondContact O-N 3.27Å; E1434-R1438 IonicContact OE1-CZ 3.03Å; E1434-R1438 IonicContact OE1-NE 3.33Å; E1434-R1438 PolarHBondContact OE1-NE 3.11Å; E1434-R1438 IonicContact OE1-NH2 3.09Å; E1434-R1438 PolarHBondContact OE1-NH2 3.31Å |
| 1435 | M | 82.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.2 | -45.8 | 178.5 | -64.6 | -44.6 | -54.4 | 0 | 0 | 112.9 | L706 Y1431 A1432 Q1433 S1437 R1438 F1439 L1544 P1545 | L706-M1435 HydrophobicContact CD1-CE 3.29Å; Y1431-M1435 HydrophobicContact CD1-CG 4.01Å; Y1431-M1435 HydrophobicContact CE1-CG 3.54Å; Y1431-M1435 HydrophobicContact CE1-SD 4.33Å; Y1431-M1435 WeakPolarHBondContact O-CG 3.34Å; Y1431-M1435 PolarHBondContact O-N 2.89Å; A1432-M1435 PolarHBondContact O-N 3.23Å; Q1433-M1435 VanDerWaalsContact C-N 3.32Å; Q1433-M1435 PolarHBondContact O-N 3.48Å; M1435-S1437 VanDerWaalsContact C-N 3.32Å; M1435-S1437 PolarHBondContact O-N 2.96Å; M1435-R1438 PolarHBondContact O-N 3.16Å; M1435-F1439 WeakPolarHBondContact O-CD2 3.39Å; M1435-F1439 PolarHBondContact O-N 3.47Å; M1435-L1544 HydrophobicContact CE-CD1 3.53Å; M1435-L1544 HydrophobicContact SD-CD1 4.01Å; M1435-P1545 HydrophobicContact SD-CG 4.4Å |
| 1436 | D | 81.1 | Confident | 75 | Confident | 43 Ų | 43 | 37.2 Ų | 37.2 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -43.4 | 173.9 | -83.4 | -11 | 0 | 0 | 0 | 111.4 | A1432 Q1433 R1438 F1439 T1440 K1603 | A1432-D1436 PolarHBondContact O-N 2.95Å; Q1433-D1436 PolarHBondContact O-N 3.15Å; D1436-R1438 PolarHBondContact O-N 3.06Å; D1436-F1439 PolarHBondContact O-N 2.97Å; D1436-T1440 PolarHBondContact O-N 3.4Å; D1436-T1440 PolarHBondContact O-OG1 3.39Å; D1436-K1603 IonicContact OD1-NZ 3.29Å; D1436-K1603 PolarHBondContact OD1-NZ 2.88Å; D1436-K1603 IonicContact OD2-NZ 2.62Å; D1436-K1603 PolarHBondContact OD2-NZ 3.16Å |
| 1437 | S | 75.9 | Confident | 72.7 | Confident | 42 Ų | 42 | 35.3 Ų | 35.3 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.8 | -38.2 | 177.6 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | Q1433 E1434 M1435 T1440 S1441 | Q1433-S1437 WeakPolarHBondContact O-CB 3.31Å; Q1433-S1437 PolarHBondContact O-N 3.36Å; Q1433-S1437 PolarHBondContact O-OG 3.46Å; E1434-S1437 PolarHBondContact O-N 2.92Å; E1434-S1437 PolarHBondContact O-OG 2.8Å; M1435-S1437 VanDerWaalsContact C-N 3.32Å; M1435-S1437 PolarHBondContact O-N 2.96Å; S1437-T1440 PolarHBondContact O-N 2.77Å; S1437-S1441 WeakPolarHBondContact O-CB 3.46Å; S1437-S1441 PolarHBondContact O-N 3.4Å; S1437-S1441 PolarHBondContact O-OG 3.21Å |
| 1438 | R | 73.2 | Confident | 70.1 | Confident | 53 Ų | 53 | 41 Ų | 41 | 20% | 0.2 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -47.6 | 173.5 | -74.3 | 174.2 | -178.7 | -130.2 | 5.1 | 110.8 | E1434 M1435 D1436 S1441 L1442 L1542 | E1434-R1438 VanDerWaalsContact O-CG 3.32Å; E1434-R1438 WeakPolarHBondContact O-CG 3.16Å; E1434-R1438 PolarHBondContact O-N 3.27Å; E1434-R1438 IonicContact OE1-CZ 3.03Å; E1434-R1438 IonicContact OE1-NE 3.33Å; E1434-R1438 PolarHBondContact OE1-NE 3.11Å; E1434-R1438 IonicContact OE1-NH2 3.09Å; E1434-R1438 PolarHBondContact OE1-NH2 3.31Å; M1435-R1438 PolarHBondContact O-N 3.16Å; D1436-R1438 PolarHBondContact O-N 3.06Å; R1438-S1441 PolarHBondContact O-N 2.96Å; R1438-S1441 PolarHBondContact O-OG 2.93Å; R1438-L1442 WeakPolarHBondContact O-CG 3.32Å; R1438-L1442 PolarHBondContact O-N 2.57Å; R1438-L1542 HydrophobicContact CB-CD1 4.45Å; R1438-L1542 HydrophobicContact CB-CD2 3.84Å |
| 1439 | F | 73.7 | Confident | 67.1 | Low | 11 Ų | 11 | 46.2 Ų | 46.2 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.5 | -50.1 | 173.5 | -73.4 | -65.1 | 0 | 0 | 0 | 111.8 | W557 L706 M1435 D1436 S1441 L1442 F1443 W1607 I1650 | W557-F1439 HydrophobicContact CZ2-CE1 4.12Å; L706-F1439 HydrophobicContact CB-CE1 4Å; L706-F1439 HydrophobicContact CB-CZ 4.45Å; L706-F1439 HydrophobicContact CD1-CE1 4.05Å; L706-F1439 HydrophobicContact CD1-CE2 4.49Å; L706-F1439 HydrophobicContact CD1-CZ 3.82Å; L706-F1439 HydrophobicContact CD2-CE1 4.37Å; L706-F1439 HydrophobicContact CD2-CZ 4.04Å; L706-F1439 HydrophobicContact CG-CE1 4.37Å; L706-F1439 HydrophobicContact CG-CZ 4.33Å; M1435-F1439 WeakPolarHBondContact O-CD2 3.39Å; M1435-F1439 PolarHBondContact O-N 3.47Å; D1436-F1439 PolarHBondContact O-N 2.97Å; F1439-S1441 VanDerWaalsContact C-N 3.27Å; F1439-S1441 PolarHBondContact O-N 3.04Å; F1439-L1442 PolarHBondContact O-N 3.13Å; F1439-L1442 VanDerWaalsContact O-N 3.15Å; F1439-F1443 HydrophobicContact CB-CE2 4.26Å; F1439-F1443 HydrophobicContact CD1-CE2 4.23Å; F1439-F1443 WeakPolarHBondContact O-CD2 3.3Å; F1439-F1443 PolarHBondContact O-N 3.14Å; F1439-W1607 HydrophobicContact CE2-CZ2 4.21Å; F1439-I1650 HydrophobicContact CE1-CD1 4.12Å; F1439-I1650 HydrophobicContact CZ-CD1 3.73Å |
| 1440 | T | 71.1 | Confident | 64.1 | Low | 78 Ų | 78 | 50.6 Ų | 50.6 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.1 | -41.2 | 179.1 | -55 | 0 | 0 | 0 | 0 | 111.8 | D1436 S1437 L1442 F1443 V1444 | D1436-T1440 PolarHBondContact O-N 3.4Å; D1436-T1440 PolarHBondContact O-OG1 3.39Å; S1437-T1440 PolarHBondContact O-N 2.77Å; T1440-L1442 VanDerWaalsContact C-N 3.29Å; T1440-L1442 PolarHBondContact O-N 3.11Å; T1440-F1443 PolarHBondContact O-N 3.43Å; T1440-V1444 HydrophobicContact CG2-CG2 3.7Å; T1440-V1444 WeakPolarHBondContact O-CB 3.36Å; T1440-V1444 WeakPolarHBondContact O-CG2 3.37Å; T1440-V1444 PolarHBondContact O-N 3.16Å |
| 1441 | S | 63.3 | Low | 61.2 | Low | 68 Ų | 68 | 54.4 Ų | 54.4 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.3 | -21.4 | -179.5 | 75.1 | 0 | 0 | 0 | 0 | 115.2 | S1437 R1438 F1439 | S1437-S1441 WeakPolarHBondContact O-CB 3.46Å; S1437-S1441 PolarHBondContact O-N 3.4Å; S1437-S1441 PolarHBondContact O-OG 3.21Å; R1438-S1441 PolarHBondContact O-N 2.96Å; R1438-S1441 PolarHBondContact O-OG 2.93Å; F1439-S1441 VanDerWaalsContact C-N 3.27Å; F1439-S1441 PolarHBondContact O-N 3.04Å |
| 1442 | L | 59.9 | Low | 58.1 | Low | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -79.4 | -31.2 | 175.2 | -69.5 | 164.2 | 0 | 0 | 0 | 112.4 | M707 R1438 F1439 T1440 F1539 L1542 | M707-L1442 HydrophobicContact CG-CD1 4.2Å; M707-L1442 HydrophobicContact CG-CD2 4.23Å; M707-L1442 HydrophobicContact SD-CB 4.13Å; M707-L1442 HydrophobicContact SD-CD1 3.48Å; M707-L1442 WeakPolarHBondContact SD-CD1 3.48Å; M707-L1442 HydrophobicContact SD-CD2 3.79Å; M707-L1442 HydrophobicContact SD-CG 4Å; R1438-L1442 WeakPolarHBondContact O-CG 3.32Å; R1438-L1442 PolarHBondContact O-N 2.57Å; F1439-L1442 PolarHBondContact O-N 3.13Å; F1439-L1442 VanDerWaalsContact O-N 3.15Å; T1440-L1442 VanDerWaalsContact C-N 3.29Å; T1440-L1442 PolarHBondContact O-N 3.11Å; L1442-F1539 HydrophobicContact CD2-CD1 4.05Å; L1442-L1542 HydrophobicContact CD1-CB 4.14Å; L1442-L1542 HydrophobicContact CD1-CD2 3.49Å; L1442-L1542 VanDerWaalsContact CD1-CD2 3.49Å; L1442-L1542 HydrophobicContact CD1-CG 4.22Å; L1442-L1542 HydrophobicContact CG-CD2 4.45Å |
| 1443 | F | 61.4 | Low | 55 | Low | 21 Ų | 21 | 62.2 Ų | 62.2 | 9% | 0.092 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -100.7 | -34 | -169 | -58.3 | -43.6 | 0 | 0 | 0 | 112.9 | R555 Y710 F1439 T1440 | R555-F1443 HydrophobicContact CB-CB 3.95Å; R555-F1443 HydrophobicContact CB-CD1 3.74Å; R555-F1443 HydrophobicContact CB-CG 4.05Å; R555-F1443 HydrophobicContact CG-CD1 4.1Å; R555-F1443 VanDerWaalsContact O-CD1 3.29Å; R555-F1443 WeakPolarHBondContact O-CD1 3.25Å; R555-F1443 VanDerWaalsContact O-CD2 3.26Å; R555-F1443 WeakPolarHBondContact O-CD2 3.45Å; R555-F1443 WeakPolarHBondContact O-CG 3.43Å; Y710-F1443 HydrophobicContact CD1-CE1 4.27Å; Y710-F1443 AromaticContact CD2-CE1 3.69Å; Y710-F1443 HydrophobicContact CD2-CE1 3.69Å; Y710-F1443 AromaticContact CD2-CZ 3.59Å; Y710-F1443 HydrophobicContact CD2-CZ 3.59Å; Y710-F1443 HydrophobicContact CE1-CE1 4.25Å; Y710-F1443 HydrophobicContact CE2-CD1 4.43Å; Y710-F1443 AromaticContact CE2-CE1 3.63Å; Y710-F1443 HydrophobicContact CE2-CE1 3.63Å; Y710-F1443 AromaticContact CE2-CZ 3.93Å; Y710-F1443 HydrophobicContact CE2-CZ 3.93Å; Y710-F1443 HydrophobicContact CG-CE1 4.02Å; Y710-F1443 HydrophobicContact CG-CZ 4.01Å; Y710-F1443 AromaticContact CZ-CE1 3.94Å; F1439-F1443 HydrophobicContact CB-CE2 4.26Å; F1439-F1443 HydrophobicContact CD1-CE2 4.23Å; F1439-F1443 WeakPolarHBondContact O-CD2 3.3Å; F1439-F1443 PolarHBondContact O-N 3.14Å; T1440-F1443 PolarHBondContact O-N 3.43Å |
| 1444 | V | 59.7 | Low | 51.9 | Low | 24 Ų | 24 | 65.6 Ų | 65.6 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | trans | -81.2 | 118.4 | 176.7 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | E491 L495 T1440 | E491-V1444 HydrophobicContact CG-CG1 4.17Å; E491-V1444 WeakPolarHBondContact OE2-CG1 3.49Å; L495-V1444 HydrophobicContact CD1-CG2 4.3Å; T1440-V1444 HydrophobicContact CG2-CG2 3.7Å; T1440-V1444 WeakPolarHBondContact O-CB 3.36Å; T1440-V1444 WeakPolarHBondContact O-CG2 3.37Å; T1440-V1444 PolarHBondContact O-N 3.16Å | ||
| 1445 | T | 50.8 | Low | 49 | Very low | 72 Ų | 72 | 69 Ų | 69 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -85.4 | -22.6 | -166.7 | 51 | 0 | 0 | 0 | 0 | 115.6 | E491 | E491-T1445 PolarHBondContact OE1-N 3.14Å; E491-T1445 PolarHBondContact OE1-OG1 3.01Å |
| 1446 | Y | 43.5 | Very low | 46.2 | Very low | 103 Ų | 103 | 79.7 Ų | 79.7 | 40% | 0.404 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -118.6 | 13.1 | -178.2 | -72.2 | -84.4 | 0 | 0 | 0 | 114.6 | S487 R488 E491 | S487-Y1446 VanDerWaalsContact CB-CD2 3.49Å; S487-Y1446 WeakPolarHBondContact OG-CD2 3.35Å; S487-Y1446 VanDerWaalsContact OG-CG 3.3Å; R488-Y1446 VanDerWaalsContact CZ-O 3.27Å; R488-Y1446 PolarHBondContact NE-O 2.99Å; R488-Y1446 PolarHBondContact NH2-O 3.07Å; E491-Y1446 PolarHBondContact OE2-N 2.8Å |
| 1447 | G | 34.3 | Very low | 43.3 | Very low | 26 Ų | 26 | 87.7 Ų | 87.7 | 27% | 0.268 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -71.2 | 130 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1449 | G1447-K1449 PolarHBondContact O-N 3.46Š|
| 1448 | T | 32.3 | Very low | 40.6 | Very low | 126 Ų | 126 | 90.4 Ų | 90.4 | 77% | 0.773 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 63.5 | -17.4 | 166.3 | 76.1 | 0 | 0 | 0 | 0 | 121.9 | ||
| 1449 | K | 27.8 | Very low | 38.1 | Very low | 116 Ų | 116 | 93.7 Ų | 93.7 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | trans | -129.8 | 157.1 | 178.3 | -69.7 | -168.7 | 178.6 | -177.6 | 0 | 115.7 | G1447 D1534 | G1447-K1449 PolarHBondContact O-N 3.46Å; K1449-D1534 PolarHBondContact NZ-O 2.91Å | ||
| 1450 | I | 25.1 | Very low | 35.6 | Very low | 135 Ų | 135 | 98.2 Ų | 98.2 | 69% | 0.692 | 57% | 0.565 | S | S | * | * | trans | 68.9 | 88.3 | 170.7 | -53.8 | 167.1 | 0 | 0 | 0 | 116.2 | ||||
| 1451 | L | 24.2 | Very low | 33.3 | Very low | 106 Ų | 106 | 104.7 Ų | 104.7 | 56% | 0.555 | 59% | 0.587 | S | S | * | * | 162.6 | 98.2 | 127.7 | -92.5 | 151 | 0 | 0 | 0 | 113.5 | Y484 | Y484-L1451 HydrophobicContact CD1-CD1 3.52Å; Y484-L1451 HydrophobicContact CD2-CD1 3.95Å; Y484-L1451 HydrophobicContact CD2-CD2 4.44Å; Y484-L1451 HydrophobicContact CE1-CD1 3.52Å; Y484-L1451 HydrophobicContact CE2-CD1 3.94Å; Y484-L1451 HydrophobicContact CE2-CD2 3.9Å; Y484-L1451 HydrophobicContact CE2-CG 4.43Å; Y484-L1451 HydrophobicContact CG-CD1 3.73Å | |||
| 1452 | S | 24.9 | Very low | 31.3 | Very low | 93 Ų | 93 | 107 Ų | 107 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | trans | -155.8 | 113.7 | 152.7 | 54.3 | 0 | 0 | 0 | 0 | 108.4 | Q1531 | S1452-Q1531 PolarHBondContact O-NE2 2.69Š| ||
| 1453 | G | 21.2 | Very low | 29.6 | Very low | 71 Ų | 71 | 113.1 Ų | 113.1 | 73% | 0.732 | 62% | 0.622 | S | S | * | * | trans | -160.4 | 24.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1454 | T | 21.9 | Very low | 27.7 | Very low | 137 Ų | 137 | 119.2 Ų | 119.2 | 84% | 0.84 | 65% | 0.648 | S | S | * | * | trans | -141.5 | 136.1 | 173.9 | 44.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1455 | S | 20.4 | Very low | 26.1 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | trans | -105.5 | 108.8 | -176.6 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1456 | Y | 24.2 | Very low | 24.8 | Very low | 226 Ų | 226 | 124 Ų | 124 | 89% | 0.886 | 68% | 0.676 | S | S | * | * | trans | -140.7 | 135.5 | 163.4 | -79.6 | -71 | 0 | 0 | 0 | 111.8 | ||||
| 1457 | K | 20.8 | Very low | 24 | Very low | 210 Ų | 210 | 122.1 Ų | 122.1 | 91% | 0.913 | 68% | 0.676 | S | S | * | * | trans | -94.9 | 102.9 | 179.3 | -74.1 | 179.5 | 175.5 | 178.2 | 0 | 110.5 | ||||
| 1458 | S | 19.8 | Very low | 23.5 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | trans | -159.6 | 111.4 | 160.8 | 49.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1459 | T | 20.4 | Very low | 23.2 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | trans | 49.1 | 95.8 | 145.5 | 56.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1460 | S | 20.8 | Very low | 23.1 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | 49.6 | 97.5 | 129.4 | 62.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1461 | F | 22.5 | Very low | 23.2 | Very low | 214 Ų | 214 | 119.6 Ų | 119.6 | 94% | 0.939 | 66% | 0.664 | S | S | * | * | trans | -143.1 | 127.1 | 143.5 | -98.7 | -82.4 | 0 | 0 | 0 | 109.4 | ||||
| 1462 | T | 21.1 | Very low | 23.2 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 72% | 0.724 | 66% | 0.663 | S | S | * | * | trans | -116.4 | 168.8 | 171.1 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1463 | Y | 23.6 | Very low | 23.2 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 57% | 0.569 | 66% | 0.655 | S | S | * | * | trans | 63 | 86.5 | -179.9 | -84.4 | -91.5 | 0 | 0 | 0 | 117.3 | D1504 | Y1463-D1504 WeakPolarHBondContact CE2-OD2 3.24Š| ||
| 1464 | F | 23.5 | Very low | 23.3 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | trans | -159.5 | 51.2 | 140 | -107.7 | -63.2 | 0 | 0 | 0 | 112.6 | S1466 | F1464-S1466 PolarHBondContact O-N 2.58Š| ||
| 1465 | D | 24.6 | Very low | 23.3 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 70% | 0.695 | 65% | 0.649 | S | S | * | * | trans | -69 | 130.9 | 169.2 | -107.7 | -7.2 | 0 | 0 | 0 | 110.3 | Q1527 | D1465-Q1527 PolarHBondContact OD2-NE2 3.07Š| ||
| 1466 | S | 25 | Very low | 23.6 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 48% | 0.476 | 65% | 0.648 | S | S | . | * | trans | -104.3 | 117 | -174.4 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | F1464 A1468 | F1464-S1466 PolarHBondContact O-N 2.58Å; S1466-A1468 PolarHBondContact O-N 3.19Å | ||
| 1467 | P | 25.1 | Very low | 23.7 | Very low | 62 Ų | 62 | 118.4 Ų | 118.4 | 40% | 0.403 | 65% | 0.65 | S | S | . | * | trans | -80.7 | 47.9 | -170 | 33.9 | -37.2 | 0 | 0 | 0 | 113.9 | I1469 | P1467-I1469 PolarHBondContact O-N 3.35Š| ||
| 1468 | A | 25.5 | Very low | 23.8 | Very low | 48 Ų | 48 | 115.7 Ų | 115.7 | 40% | 0.397 | 65% | 0.645 | S | S | . | * | trans | -85.7 | 4.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A492 S1466 | A492-A1468 HydrophobicContact CB-CB 3.92Å; S1466-A1468 PolarHBondContact O-N 3.19Å | ||
| 1469 | I | 25.7 | Very low | 23.8 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 67% | 0.672 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -122.5 | -14.4 | -174.8 | -64.4 | 180 | 0 | 0 | 0 | 113.1 | P1467 | P1467-I1469 PolarHBondContact O-N 3.35Š|
| 1470 | N | 25.6 | Very low | 24 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 58% | 0.583 | 64% | 0.642 | S | S | * | * | trans | -130.7 | 71.4 | 177.1 | -85.4 | -27.9 | 0 | 0 | 0 | 111.4 | Q1472 | N1470-Q1472 VanDerWaalsContact C-N 3.3Å; N1470-Q1472 PolarHBondContact O-N 3.15Å | ||
| 1471 | L | 25.6 | Very low | 24.1 | Very low | 63 Ų | 63 | 118.9 Ų | 118.9 | 33% | 0.33 | 64% | 0.635 | S | S | . | * | trans | -91 | 62.7 | 165.3 | -83.6 | 170.3 | 0 | 0 | 0 | 110.9 | E371 I374 | E371-L1471 HydrophobicContact CG-CD1 4.42Å; I374-L1471 HydrophobicContact CD1-CD1 4.1Å | ||
| 1472 | Q | 25.5 | Very low | 24 | Very low | 117 Ų | 117 | 115.7 Ų | 115.7 | 55% | 0.547 | 63% | 0.628 | S | S | . | * | trans | -83 | 112.2 | 153.8 | -80.7 | -173.9 | -35.1 | 0 | 0 | 108 | N1470 P1474 | N1470-Q1472 VanDerWaalsContact C-N 3.3Å; N1470-Q1472 PolarHBondContact O-N 3.15Å; Q1472-P1474 WeakPolarHBondContact O-CD 3.38Å | ||
| 1473 | I | 24.3 | Very low | 24.1 | Very low | 95 Ų | 95 | 115.1 Ų | 115.1 | 49% | 0.487 | 63% | 0.625 | S | S | . | * | trans | -86.7 | 130.5 | 171.7 | -52.1 | 162.4 | 0 | 0 | 0 | 107.8 | L375 | L375-I1473 HydrophobicContact CD2-CD1 3.4Å; L375-I1473 VanDerWaalsContact CD2-CD1 3.4Å; L375-I1473 HydrophobicContact CD2-CG1 4.02Å | ||
| 1474 | P | 22.8 | Very low | 24.2 | Very low | 122 Ų | 122 | 114.5 Ų | 114.5 | 79% | 0.792 | 63% | 0.631 | S | S | * | * | trans | -116.2 | 111.8 | 150.3 | 33.4 | -25.2 | 0 | 0 | 0 | 110.2 | Q1472 | Q1472-P1474 WeakPolarHBondContact O-CD 3.38Š| ||
| 1475 | S | 23.1 | Very low | 24.3 | Very low | 93 Ų | 93 | 114.7 Ų | 114.7 | 65% | 0.65 | 64% | 0.639 | S | S | * | * | trans | -158.8 | 160.2 | 164 | 67 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1476 | P | 27.2 | Very low | 24.2 | Very low | 110 Ų | 110 | 116.5 Ų | 116.5 | 71% | 0.714 | 64% | 0.643 | S | S | * | * | cis | -118.1 | 159 | -13.1 | 36.8 | -23.9 | 0 | 0 | 0 | 112.5 | ||||
| 1477 | L | 24.5 | Very low | 24.3 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 93% | 0.927 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 123 | 156.8 | -89.3 | 173.6 | 0 | 0 | 0 | 109.2 | ||
| 1478 | N | 24.3 | Very low | 24.2 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 147.3 | 170.4 | -103.7 | -13.7 | 0 | 0 | 0 | 110.6 | ||
| 1479 | F | 20.2 | Very low | 24.1 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 59% | 0.592 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -67 | 133 | 151.1 | -81.3 | -97 | 0 | 0 | 0 | 108.5 | ||
| 1480 | N | 24.4 | Very low | 24.2 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | -155.9 | 162 | 115.4 | -108.4 | -21.2 | 0 | 0 | 0 | 111.6 | |||||
| 1481 | N | 21.8 | Very low | 24.1 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | trans | -75.9 | 160.7 | -172.6 | -49.6 | -62.9 | 0 | 0 | 0 | 112 | ||||
| 1482 | N | 21.8 | Very low | 24.1 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | trans | -18.5 | 145.7 | 140.3 | -28.9 | -21.5 | 0 | 0 | 0 | 112.7 | ||||
| 1483 | T | 22.8 | Very low | 24.2 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | cis | -151.6 | 178.5 | 46.7 | 47.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1484 | D | 24.4 | Very low | 24.1 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 67.5 | 131.8 | 160.2 | -36.3 | -45.8 | 0 | 0 | 0 | 117.1 | ||||
| 1485 | D | 26.3 | Very low | 24.3 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | cis | -151.3 | 179 | -5 | -117.7 | -27.3 | 0 | 0 | 0 | 111.5 | ||||
| 1486 | E | 22.5 | Very low | 24.3 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -79.1 | 148.3 | -166.9 | -51.3 | -171.2 | 126.2 | 0 | 0 | 116.7 | ||||
| 1487 | E | 26.6 | Very low | 24.1 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | -162.4 | 165 | 120.5 | -114.5 | -179.1 | -167.4 | 0 | 0 | 112.1 | |||||
| 1488 | N | 22.7 | Very low | 24.1 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | trans | -121.7 | 135.2 | -159.2 | -73.6 | -90.1 | 0 | 0 | 0 | 115.4 | ||||
| 1489 | S | 25 | Very low | 24 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -163.5 | 149.6 | 137.9 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1490 | D | 27.2 | Very low | 24.2 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 57.6 | 88.4 | 163.3 | -59.9 | -2.8 | 0 | 0 | 0 | 119.2 | ||||
| 1491 | R | 23.4 | Very low | 24.1 | Very low | 218 Ų | 218 | 146.6 Ų | 146.6 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | trans | -87.3 | -175.5 | 164.1 | -76.5 | -178.5 | 165 | 99.9 | -4.7 | 111.8 | ||||
| 1492 | V | 26.4 | Very low | 24.2 | Very low | 143 Ų | 143 | 149.9 Ų | 149.9 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | 89 | 108.1 | -174.3 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1493 | D | 27.2 | Very low | 24.1 | Very low | 136 Ų | 136 | 151.9 Ų | 151.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -150.5 | 172.2 | -2.3 | -172.9 | 44 | 0 | 0 | 0 | 112.8 | ||||
| 1494 | R | 22.3 | Very low | 24.2 | Very low | 226 Ų | 226 | 151 Ų | 151 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -141.9 | 121.5 | 168.1 | -75.8 | 176 | 167.5 | 157.9 | -5.5 | 111.4 | S1496 | R1494-S1496 PolarHBondContact O-N 2.85Š| ||
| 1495 | P | 25.4 | Very low | 24 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -66 | 121.2 | 163.4 | -21.7 | 34.4 | 0 | 0 | 0 | 111.8 | ||||
| 1496 | S | 23.9 | Very low | 23.9 | Very low | 108 Ų | 108 | 154.6 Ų | 154.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -38.8 | 145.6 | 171.7 | 51 | 0 | 0 | 0 | 0 | 117.3 | R1494 | R1494-S1496 PolarHBondContact O-N 2.85Š| ||
| 1497 | N | 23.3 | Very low | 23.8 | Very low | 160 Ų | 160 | 156.2 Ų | 156.2 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -56.9 | 142.2 | 165 | -49.9 | -61.6 | 0 | 0 | 0 | 112.1 | ||||
| 1498 | S | 23.3 | Very low | 23.6 | Very low | 93 Ų | 93 | 153.1 Ų | 153.1 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -143.4 | 123.7 | 145.3 | 55 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1499 | E | 22.3 | Very low | 23.6 | Very low | 168 Ų | 168 | 156.2 Ų | 156.2 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -79.7 | 123.3 | 174.8 | -68.2 | 166.1 | 104.2 | 0 | 0 | 108.8 | ||||
| 1500 | F | 24.4 | Very low | 23.4 | Very low | 178 Ų | 178 | 160.3 Ų | 160.3 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -124 | 118.6 | 175.4 | -92.1 | -82 | 0 | 0 | 0 | 112.2 | ||||
| 1501 | N | 22.8 | Very low | 23.3 | Very low | 132 Ų | 132 | 158 Ų | 158 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -80.7 | 145.4 | 174.8 | -70.2 | -60.1 | 0 | 0 | 0 | 111.1 | ||||
| 1502 | F | 23.2 | Very low | 23.3 | Very low | 179 Ų | 179 | 155.6 Ų | 155.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -91.9 | 124.8 | 173.5 | -92.8 | -96.2 | 0 | 0 | 0 | 112.4 | ||||
| 1503 | E | 21.5 | Very low | 23.4 | Very low | 190 Ų | 190 | 154.3 Ų | 154.3 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -140.8 | 157.4 | 142.8 | -78.8 | -159.7 | 155.4 | 0 | 0 | 108.4 | ||||
| 1504 | D | 23.6 | Very low | 23.3 | Very low | 86 Ų | 86 | 154.8 Ų | 154.8 | 46% | 0.46 | 78% | 0.783 | S | S | . | * | trans | -93 | 158.4 | -150.9 | -55.7 | -47.8 | 0 | 0 | 0 | 117.5 | Y1463 | Y1463-D1504 WeakPolarHBondContact CE2-OD2 3.24Š| ||
| 1505 | N | 21.3 | Very low | 23.5 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 83.4 | 119 | 159.7 | -48.8 | -80.7 | 0 | 0 | 0 | 119.1 | ||||
| 1506 | Y | 24.5 | Very low | 23.6 | Very low | 212 Ų | 212 | 146.9 Ų | 146.9 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | -153.6 | 165.6 | 118.3 | -113.1 | -78.5 | 0 | 0 | 0 | 110.6 | |||||
| 1507 | F | 19.6 | Very low | 23.7 | Very low | 200 Ų | 200 | 147.3 Ų | 147.3 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -97.3 | 170.2 | 179.4 | -112 | -102.2 | 0 | 0 | 0 | 111.4 | ||||
| 1508 | I | 22.2 | Very low | 23.9 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | trans | 101.6 | 122.5 | 161.8 | -54 | -172.8 | 0 | 0 | 0 | 117 | ||||
| 1509 | E | 22.4 | Very low | 24 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | 62.9 | 135.1 | 157.9 | -74.1 | 150.7 | -153.9 | 0 | 0 | 122.8 | ||||
| 1510 | E | 22 | Very low | 24.1 | Very low | 198 Ų | 198 | 141 Ų | 141 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | trans | -78.2 | 133.8 | 173.4 | -63.4 | 168.8 | 133.8 | 0 | 0 | 109.5 | ||||
| 1511 | S | 24.1 | Very low | 24.1 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -143.6 | 121.4 | 165 | 46.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1512 | D | 23.9 | Very low | 24.2 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 90% | 0.904 | 72% | 0.719 | S | S | * | * | trans | -72.7 | 137 | -176.1 | -69.7 | -70.6 | 0 | 0 | 0 | 112 | ||||
| 1513 | S | 28.1 | Very low | 24.4 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -144 | 107.3 | 162.8 | 47.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1514 | M | 26 | Very low | 24.7 | Very low | 146 Ų | 146 | 127 Ų | 127 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | trans | -81.1 | 126.1 | 174.5 | -82.4 | -91.9 | 78.2 | 0 | 0 | 110.7 | ||||
| 1515 | S | 26 | Very low | 24.8 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -142.6 | 141.7 | 152.8 | 62.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1516 | G | 27.1 | Very low | 25 | Very low | 65 Ų | 65 | 124.3 Ų | 124.3 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | trans | -88.6 | 123.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1517 | T | 25.8 | Very low | 24.9 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 72% | 0.718 | 68% | 0.682 | S | S | * | * | trans | -147.1 | 134.5 | 158.2 | -66.6 | 0 | 0 | 0 | 0 | 108.1 | V1519 | T1517-V1519 HydrophobicContact CG2-CG2 4.44Å; T1517-V1519 PolarHBondContact O-N 2.94Å | ||
| 1518 | Y | 28.6 | Very low | 25.1 | Very low | 109 Ų | 109 | 116.3 Ų | 116.3 | 43% | 0.427 | 67% | 0.668 | S | S | . | * | trans | -76.9 | 75 | -177 | -162.3 | -84 | 0 | 0 | 0 | 110.6 | H1426 S1520 | H1426-Y1518 HydrophobicContact CB-CE1 3.78Å; H1426-Y1518 AromaticContact CD2-CD1 3.86Å; H1426-Y1518 AromaticContact CD2-CE1 3.43Å; H1426-Y1518 VanDerWaalsContact CD2-CE1 3.43Å; H1426-Y1518 WeakPolarHBondContact CD2-CE1 3.35Å; H1426-Y1518 AromaticContact CD2-CZ 3.95Å; H1426-Y1518 AromaticContact CG-CE1 3.45Å; H1426-Y1518 VanDerWaalsContact CG-CE1 3.45Å; H1426-Y1518 AromaticContact ND1-CE1 3.98Å; H1426-Y1518 AromaticContact NE2-CD1 3.94Å; Y1518-S1520 PolarHBondContact O-N 3.4Å | ||
| 1519 | V | 24.7 | Very low | 25.5 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 70% | 0.697 | 67% | 0.669 | S | S | * | * | trans | -73.9 | 118.8 | 167.4 | -178.3 | 0 | 0 | 0 | 0 | 107.2 | T1517 | T1517-V1519 HydrophobicContact CG2-CG2 4.44Å; T1517-V1519 PolarHBondContact O-N 2.94Å | ||
| 1520 | S | 24.3 | Very low | 25.6 | Very low | 64 Ų | 64 | 110.4 Ų | 110.4 | 45% | 0.448 | 65% | 0.654 | S | S | . | * | trans | -55.5 | 130.6 | 172.1 | -63.6 | 0 | 0 | 0 | 0 | 108.7 | Y1518 S1522 | Y1518-S1520 PolarHBondContact O-N 3.4Å; S1520-S1522 PolarHBondContact O-N 3.45Å | ||
| 1521 | P | 24.4 | Very low | 25.7 | Very low | 80 Ų | 80 | 108.2 Ų | 108.2 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | trans | -70.6 | 85.4 | 179.3 | 29.2 | -34.4 | 0 | 0 | 0 | 109.6 | ||||
| 1522 | S | 24.4 | Very low | 25.8 | Very low | 79 Ų | 79 | 107.1 Ų | 107.1 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | trans | -49.4 | 141.1 | 155.2 | 51.1 | 0 | 0 | 0 | 0 | 107.9 | S1520 V1524 | S1520-S1522 PolarHBondContact O-N 3.45Å; S1522-V1524 VanDerWaalsContact C-N 3.3Å; S1522-V1524 WeakPolarHBondContact O-CG2 3.5Å; S1522-V1524 PolarHBondContact O-N 3.18Å | ||
| 1523 | L | 29.2 | Very low | 25.9 | Very low | 124 Ų | 124 | 101.8 Ų | 101.8 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | trans | -62.9 | 93.4 | -179.4 | -82.6 | 158.2 | 0 | 0 | 0 | 109.2 | N1525 | L1523-N1525 PolarHBondContact O-N 2.95Š| ||
| 1524 | V | 27.6 | Very low | 25.9 | Very low | 102 Ų | 102 | 100.6 Ų | 100.6 | 62% | 0.618 | 60% | 0.596 | S | S | * | * | trans | -64.9 | 107.1 | 179.8 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | S1522 D1526 | S1522-V1524 VanDerWaalsContact C-N 3.3Å; S1522-V1524 WeakPolarHBondContact O-CG2 3.5Å; S1522-V1524 PolarHBondContact O-N 3.18Å; V1524-D1526 PolarHBondContact O-N 3.39Å | ||
| 1525 | N | 24.8 | Very low | 26.2 | Very low | 105 Ų | 105 | 94.7 Ų | 94.7 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | trans | -67.9 | 78 | 165.6 | -80.1 | -37 | 0 | 0 | 0 | 108.4 | L1523 Q1527 | L1523-N1525 PolarHBondContact O-N 2.95Å; N1525-Q1527 VanDerWaalsContact C-N 3.29Å; N1525-Q1527 PolarHBondContact O-N 3.38Å | ||
| 1526 | D | 24.5 | Very low | 26.6 | Very low | 74 Ų | 74 | 96.1 Ų | 96.1 | 40% | 0.396 | 57% | 0.567 | S | S | . | * | trans | -60 | 92.7 | 168.7 | -81.2 | -38.9 | 0 | 0 | 0 | 108.2 | R1284 V1524 S1528 | R1284-D1526 IonicContact NH1-OD2 3.26Å; V1524-D1526 PolarHBondContact O-N 3.39Å; D1526-S1528 PolarHBondContact O-N 3.31Å | ||
| 1527 | Q | 24.2 | Very low | 26.9 | Very low | 161 Ų | 161 | 98.2 Ų | 98.2 | 75% | 0.752 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 42.4 | 174.2 | -69.3 | -175.3 | -13.6 | 0 | 0 | 111.7 | D1465 N1525 | D1465-Q1527 PolarHBondContact OD2-NE2 3.07Å; N1525-Q1527 VanDerWaalsContact C-N 3.29Å; N1525-Q1527 PolarHBondContact O-N 3.38Å |
| 1528 | S | 23.7 | Very low | 27.5 | Very low | 83 Ų | 83 | 94.2 Ų | 94.2 | 58% | 0.58 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.9 | 25.3 | 177.9 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | D1526 G1530 | D1526-S1528 PolarHBondContact O-N 3.31Å; S1528-G1530 PolarHBondContact O-N 3.45Å |
| 1529 | I | 30.1 | Very low | 28.3 | Very low | 139 Ų | 139 | 94.5 Ų | 94.5 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | trans | -72.7 | 73 | 167.5 | -57.1 | 170.2 | 0 | 0 | 0 | 109 | ||||
| 1530 | G | 24.6 | Very low | 29.4 | Very low | 51 Ų | 51 | 91.7 Ų | 91.7 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | trans | -59 | 138.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1528 V1532 | S1528-G1530 PolarHBondContact O-N 3.45Å; G1530-V1532 PolarHBondContact O-N 3Å | ||
| 1531 | Q | 23.7 | Very low | 30.9 | Very low | 153 Ų | 153 | 91.9 Ų | 91.9 | 72% | 0.715 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -40.2 | 103.4 | -172.7 | -64.5 | 161.4 | -21 | 0 | 0 | 113.8 | S1452 | S1452-Q1531 PolarHBondContact O-NE2 2.69Š|
| 1532 | V | 26.1 | Very low | 32.8 | Very low | 87 Ų | 87 | 89.2 Ų | 89.2 | 53% | 0.527 | 50% | 0.504 | S | S | . | . | trans | -128.8 | 133.3 | 149.6 | 178.5 | 0 | 0 | 0 | 0 | 105.2 | G1530 D1534 | G1530-V1532 PolarHBondContact O-N 3Å; V1532-D1534 PolarHBondContact O-N 3.17Å | ||
| 1533 | A | 26.5 | Very low | 35 | Very low | 58 Ų | 58 | 87.1 Ų | 87.1 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | trans | -67.3 | 97.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | R1250 G1535 | R1250-A1533 VanDerWaalsContact CZ-O 3.24Å; R1250-A1533 PolarHBondContact NH1-O 2.9Å; R1250-A1533 PolarHBondContact NH2-O 3.49Å; A1533-G1535 PolarHBondContact O-N 3.47Å; A1533-G1535 VanDerWaalsContact O-N 3.11Å | ||
| 1534 | D | 28.7 | Very low | 37.3 | Very low | 90 Ų | 90 | 81.4 Ų | 81.4 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | trans | -68.1 | 95.8 | 141.5 | -81.9 | -34.4 | 0 | 0 | 0 | 105.4 | R1250 K1449 V1532 | R1250-D1534 IonicContact NH2-OD1 2.74Å; R1250-D1534 PolarHBondContact NH2-OD1 3.21Å; K1449-D1534 PolarHBondContact NZ-O 2.91Å; V1532-D1534 PolarHBondContact O-N 3.17Å | ||
| 1535 | G | 30.3 | Very low | 39.7 | Very low | 22 Ų | 22 | 76.7 Ų | 76.7 | 23% | 0.227 | 43% | 0.431 | C | S | . | . | trans | -60.8 | -176.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1533 D1537 | A1533-G1535 PolarHBondContact O-N 3.47Å; A1533-G1535 VanDerWaalsContact O-N 3.11Å; G1535-D1537 PolarHBondContact O-N 3.28Å | ||
| 1536 | H | 34.3 | Very low | 42.4 | Very low | 140 Ų | 140 | 73.7 Ų | 73.7 | 65% | 0.648 | 41% | 0.413 | S | S | * | . | trans | -75.7 | 70.9 | 178.6 | -62.2 | -95.2 | 0 | 0 | 0 | 110.9 | S1538 | H1536-S1538 PolarHBondContact O-N 2.86Š| ||
| 1537 | D | 33.5 | Very low | 45.5 | Very low | 109 Ų | 109 | 70.2 Ų | 70.2 | 58% | 0.583 | 39% | 0.394 | S | S | * | . | trans | -57.5 | 85.5 | 142.6 | -91.4 | -2.2 | 0 | 0 | 0 | 105.7 | G1535 | G1535-D1537 PolarHBondContact O-N 3.28Š| ||
| 1538 | S | 40.1 | Very low | 48.5 | Very low | 34 Ų | 34 | 62.6 Ų | 62.6 | 24% | 0.238 | 36% | 0.358 | C | S | . | . | trans | -62.7 | 153.8 | -174.9 | 38.3 | 0 | 0 | 0 | 0 | 111.1 | H1536 H1540 | H1536-S1538 PolarHBondContact O-N 2.86Å; S1538-H1540 PolarHBondContact O-N 3.44Å; S1538-H1540 PolarHBondContact OG-CD2 3.16Å; S1538-H1540 PolarHBondContact OG-NE2 3.19Å | ||
| 1539 | F | 44.3 | Very low | 51.6 | Low | 114 Ų | 114 | 58.9 Ų | 58.9 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 37.7 | -172.8 | -67.5 | -96.4 | 0 | 0 | 0 | 115.2 | L1442 | L1442-F1539 HydrophobicContact CD2-CD1 4.05Š|
| 1540 | H | 49.1 | Very low | 54.3 | Low | 57 Ų | 57 | 52.3 Ų | 52.3 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -33.5 | -164.6 | -60.6 | -13.9 | 0 | 0 | 0 | 113.4 | T599 S626 S1538 | T599-H1540 HydrophobicContact CG2-CB 4.4Å; S626-H1540 WeakPolarHBondContact CB-NE2 3.33Å; S626-H1540 PolarHBondContact OG-NE2 3.11Å; S1538-H1540 PolarHBondContact O-N 3.44Å; S1538-H1540 PolarHBondContact OG-CD2 3.16Å; S1538-H1540 PolarHBondContact OG-NE2 3.19Å |
| 1541 | C | 55.1 | Low | 57.3 | Low | 67 Ų | 67 | 49.9 Ų | 49.9 | 45% | 0.453 | 27% | 0.273 | S | S | . | . | trans | -142.1 | 128.9 | 174.2 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | D705 P1543 | D705-C1541 VanDerWaalsContact OD2-CA 3.25Å; D705-C1541 WeakPolarHBondContact OD2-CA 3.35Å; D705-C1541 WeakPolarHBondContact OD2-CB 3.42Å; D705-C1541 PolarHBondContact OD2-SG 3.14Å; C1541-P1543 WeakPolarHBondContact O-CD 3.45Å | ||
| 1542 | L | 64.6 | Low | 60.3 | Low | 24 Ų | 24 | 42.6 Ų | 42.6 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | trans | -117.3 | 82.8 | 168.8 | -168 | 84.6 | 0 | 0 | 0 | 110.2 | D705 L706 M707 R1438 L1442 L1544 | D705-L1542 PolarHBondContact OD1-N 3.35Å; L706-L1542 HydrophobicContact CB-CD2 4.27Å; L706-L1542 HydrophobicContact CD1-CD2 3.82Å; L706-L1542 PolarHBondContact N-O 3.36Å; L706-L1542 VanDerWaalsContact N-O 3.11Å; M707-L1542 HydrophobicContact CG-CB 4.28Å; R1438-L1542 HydrophobicContact CB-CD1 4.45Å; R1438-L1542 HydrophobicContact CB-CD2 3.84Å; L1442-L1542 HydrophobicContact CD1-CB 4.14Å; L1442-L1542 HydrophobicContact CD1-CD2 3.49Å; L1442-L1542 VanDerWaalsContact CD1-CD2 3.49Å; L1442-L1542 HydrophobicContact CD1-CG 4.22Å; L1442-L1542 HydrophobicContact CG-CD2 4.45Å; L1542-L1544 PolarHBondContact O-N 2.84Å | ||
| 1543 | P | 69.5 | Low | 63.2 | Low | 35 Ų | 35 | 38.4 Ų | 38.4 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 132.7 | 178.9 | 27.5 | -34.3 | 0 | 0 | 0 | 111.7 | K698 I704 C1541 P1545 | K698-P1543 HydrophobicContact CD-CG 4.41Å; I704-P1543 WeakPolarHBondContact O-CA 3.5Å; C1541-P1543 WeakPolarHBondContact O-CD 3.45Å; P1543-P1545 WeakPolarHBondContact O-CD 3.3Å |
| 1544 | L | 77.3 | Confident | 66.1 | Low | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 117 | 179.1 | -179.5 | 65.6 | 0 | 0 | 0 | 111.4 | I704 L706 W1295 Y1431 M1435 L1542 K1546 W1607 H1611 L1654 | I704-L1544 WeakPolarHBondContact O-CB 3.46Å; I704-L1544 PolarHBondContact O-N 3.35Å; L706-L1544 HydrophobicContact CD1-CD1 4.18Å; L706-L1544 HydrophobicContact CG-CB 4.5Å; W1295-L1544 WeakPolarHBondContact CH2-O 3.36Å; Y1431-L1544 VanDerWaalsContact OH-CD1 3.29Å; Y1431-L1544 WeakPolarHBondContact OH-CD1 3.48Å; M1435-L1544 HydrophobicContact CE-CD1 3.53Å; M1435-L1544 HydrophobicContact SD-CD1 4.01Å; L1542-L1544 PolarHBondContact O-N 2.84Å; L1544-K1546 PolarHBondContact O-N 3.37Å; L1544-W1607 HydrophobicContact CD1-CE3 4.33Å; L1544-W1607 HydrophobicContact CD1-CH2 3.96Å; L1544-W1607 HydrophobicContact CD1-CZ3 3.75Å; L1544-W1607 HydrophobicContact CD2-CH2 4.5Å; L1544-W1607 HydrophobicContact CD2-CZ3 3.77Å; L1544-W1607 HydrophobicContact CG-CZ3 4.44Å; L1544-H1611 WeakPolarHBondContact CD2-NE2 3.36Å; L1544-L1654 HydrophobicContact CD2-CD1 3.97Å; L1544-L1654 HydrophobicContact CD2-CD2 3.9Å; L1544-L1654 HydrophobicContact CD2-CG 4.5Å |
| 1545 | P | 78 | Confident | 68.9 | Low | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 127.7 | 179.3 | -18 | 31.4 | 0 | 0 | 0 | 111.2 | Y1431 M1435 P1543 H1547 | Y1431-P1545 HydrophobicContact CE2-CB 4.34Å; Y1431-P1545 WeakPolarHBondContact CE2-O 3.4Å; Y1431-P1545 PolarHBondContact OH-O 3.07Å; M1435-P1545 HydrophobicContact SD-CG 4.4Å; P1543-P1545 WeakPolarHBondContact O-CD 3.3Å; P1545-H1547 PolarHBondContact O-N 3.25Å |
| 1546 | K | 82.1 | Confident | 71.5 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 121.4 | -179.1 | -165.7 | 174.4 | -166.2 | 173.1 | 0 | 111.1 | L1544 A1550 E1554 | L1544-K1546 PolarHBondContact O-N 3.37Å; K1546-A1550 HydrophobicContact CG-CB 3.93Å; K1546-E1554 WeakPolarHBondContact CE-OE2 3.47Å; K1546-E1554 IonicContact NZ-OE1 3.65Å; K1546-E1554 PolarHBondContact NZ-OE1 2.78Å; K1546-E1554 IonicContact NZ-OE2 3.69Å; K1546-E1554 PolarHBondContact NZ-OE2 3.22Å |
| 1547 | H | 89.5 | Confident | 73.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 147.6 | -179.5 | -169 | -100.8 | 0 | 0 | 0 | 112.2 | Y1427 N1428 Y1431 P1545 Y1549 A1550 C1551 H1611 | Y1427-H1547 AromaticContact CE1-CD2 3.78Å; Y1427-H1547 AromaticContact CE1-NE2 3.48Å; Y1427-H1547 WeakPolarHBondContact CE1-NE2 3.5Å; N1428-H1547 PolarHBondContact OD1-CE1 2.93Å; N1428-H1547 VanDerWaalsContact OD1-CE1 3.3Å; N1428-H1547 PolarHBondContact OD1-NE2 2.91Å; Y1431-H1547 AromaticContact CD1-CD2 3.85Å; Y1431-H1547 AromaticContact CD2-CD2 3.85Å; Y1431-H1547 AromaticContact CG-CD2 3.69Å; P1545-H1547 PolarHBondContact O-N 3.25Å; H1547-Y1549 VanDerWaalsContact C-N 3.33Å; H1547-Y1549 AromaticContact CE1-CD2 3.99Å; H1547-Y1549 AromaticContact CE1-CG 3.99Å; H1547-Y1549 AromaticContact ND1-CG 3.93Å; H1547-Y1549 PolarHBondContact ND1-N 3.15Å; H1547-Y1549 PolarHBondContact O-N 3.32Å; H1547-A1550 VanDerWaalsContact O-CB 3.31Å; H1547-A1550 WeakPolarHBondContact O-CB 3.38Å; H1547-A1550 PolarHBondContact O-N 3.09Å; H1547-C1551 PolarHBondContact O-N 2.85Å; H1547-H1611 HydrophobicContact CB-CB 3.61Å; H1547-H1611 VanDerWaalsContact CB-CD2 3.5Å; H1547-H1611 WeakPolarHBondContact CB-CD2 3.41Å; H1547-H1611 VanDerWaalsContact CB-CG 3.5Å |
| 1548 | L | 87 | Confident | 76.4 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -51.2 | -47 | -177.9 | 173.2 | 60.4 | 0 | 0 | 0 | 113.5 | G1347 M1419 A1423 Y1427 A1550 C1551 I1552 | G1347-L1548 VanDerWaalsContact CA-CD1 3.42Å; M1419-L1548 HydrophobicContact CE-CD1 3.63Å; M1419-L1548 HydrophobicContact CE-CD2 4.21Å; M1419-L1548 HydrophobicContact CG-CD2 3.8Å; M1419-L1548 HydrophobicContact SD-CD1 3.99Å; M1419-L1548 HydrophobicContact SD-CD2 3.99Å; A1423-L1548 HydrophobicContact CB-CD2 3.89Å; Y1427-L1548 HydrophobicContact CD1-CB 4.48Å; Y1427-L1548 HydrophobicContact CE1-CB 3.8Å; L1548-A1550 PolarHBondContact O-N 3.02Å; L1548-C1551 PolarHBondContact O-N 2.9Å; L1548-C1551 VanDerWaalsContact O-N 3.13Å; L1548-I1552 HydrophobicContact CD1-CD1 4.01Å; L1548-I1552 HydrophobicContact CD1-CG1 4.43Å; L1548-I1552 HydrophobicContact CG-CD1 4.17Å; L1548-I1552 PolarHBondContact O-N 2.98Å |
| 1549 | Y | 89.3 | Confident | 78.6 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -30.1 | 179.5 | -64 | -12.2 | 0 | 0 | 0 | 113 | L1420 A1423 N1428 H1547 I1552 A1553 L1562 L1568 A1608 T1612 | L1420-Y1549 HydrophobicContact CD2-CD1 4.01Å; L1420-Y1549 HydrophobicContact CD2-CE1 3.75Å; A1423-Y1549 HydrophobicContact CB-CD1 4.44Å; A1423-Y1549 HydrophobicContact CB-CE1 3.52Å; N1428-Y1549 PolarHBondContact ND2-OH 3.28Å; H1547-Y1549 VanDerWaalsContact C-N 3.33Å; H1547-Y1549 AromaticContact CE1-CD2 3.99Å; H1547-Y1549 AromaticContact CE1-CG 3.99Å; H1547-Y1549 AromaticContact ND1-CG 3.93Å; H1547-Y1549 PolarHBondContact ND1-N 3.15Å; H1547-Y1549 PolarHBondContact O-N 3.32Å; Y1549-I1552 PolarHBondContact O-N 3.1Å; Y1549-A1553 VanDerWaalsContact O-CB 3.28Å; Y1549-A1553 WeakPolarHBondContact O-CB 3.45Å; Y1549-A1553 PolarHBondContact O-N 3.38Å; Y1549-L1562 HydrophobicContact CD1-CD2 4.19Å; Y1549-L1562 HydrophobicContact CE1-CD2 4.44Å; Y1549-L1562 HydrophobicContact CG-CD2 4.49Å; Y1549-L1568 HydrophobicContact CD2-CD2 4.05Å; Y1549-L1568 HydrophobicContact CE2-CD2 4.47Å; Y1549-A1608 HydrophobicContact CD2-CB 3.83Å; Y1549-A1608 HydrophobicContact CE2-CB 4.01Å; Y1549-T1612 VanDerWaalsContact CB-CG2 3.45Å |
| 1550 | A | 86.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1546 H1547 L1548 I1552 A1553 E1554 H1611 T1615 | K1546-A1550 HydrophobicContact CG-CB 3.93Å; H1547-A1550 VanDerWaalsContact O-CB 3.31Å; H1547-A1550 WeakPolarHBondContact O-CB 3.38Å; H1547-A1550 PolarHBondContact O-N 3.09Å; L1548-A1550 PolarHBondContact O-N 3.02Å; A1550-I1552 PolarHBondContact O-N 3.48Å; A1550-A1553 CarbonylContact O-C 3.59Å; A1550-A1553 PolarHBondContact O-N 3.28Å; A1550-A1553 VanDerWaalsContact O-N 3.07Å; A1550-E1554 WeakPolarHBondContact O-CG 3.49Å; A1550-E1554 PolarHBondContact O-N 2.68Å; A1550-H1611 HydrophobicContact CB-CB 4.07Å; A1550-H1611 WeakPolarHBondContact CB-O 3.46Å; A1550-T1615 HydrophobicContact CB-CG2 4.13Å; A1550-T1615 WeakPolarHBondContact O-CG2 3.49Å |
| 1551 | C | 87.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -33.3 | 179.1 | -54.3 | 0 | 0 | 0 | 0 | 112 | G1347 S1351 H1547 L1548 | G1347-C1551 WeakPolarHBondContact O-CB 3.27Å; S1351-C1551 VanDerWaalsContact CA-O 3.27Å; S1351-C1551 WeakPolarHBondContact CA-O 3.38Å; H1547-C1551 PolarHBondContact O-N 2.85Å; L1548-C1551 PolarHBondContact O-N 2.9Å; L1548-C1551 VanDerWaalsContact O-N 3.13Å |
| 1552 | I | 87.3 | Confident | 84 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -76.2 | -35.1 | 174.6 | -64.7 | 172.5 | 0 | 0 | 0 | 111.2 | L1350 F1356 L1420 L1548 Y1549 A1550 E1554 G1558 L1562 | L1350-I1552 HydrophobicContact CB-CG1 4.49Å; L1350-I1552 HydrophobicContact CD1-CD1 4.47Å; L1350-I1552 HydrophobicContact CD1-CG1 4.42Å; F1356-I1552 HydrophobicContact CE2-CG2 4.16Å; L1420-I1552 HydrophobicContact CD2-CD1 3.67Å; L1420-I1552 HydrophobicContact CG-CD1 4.32Å; L1548-I1552 HydrophobicContact CD1-CD1 4.01Å; L1548-I1552 HydrophobicContact CD1-CG1 4.43Å; L1548-I1552 HydrophobicContact CG-CD1 4.17Å; L1548-I1552 PolarHBondContact O-N 2.98Å; Y1549-I1552 PolarHBondContact O-N 3.1Å; A1550-I1552 PolarHBondContact O-N 3.48Å; I1552-E1554 VanDerWaalsContact C-N 3.25Å; I1552-E1554 PolarHBondContact O-N 3.48Å; I1552-G1558 CarbonylContact O-C 3.33Å; I1552-G1558 VanDerWaalsContact O-CA 3.29Å; I1552-G1558 WeakPolarHBondContact O-CA 3.42Å; I1552-L1562 HydrophobicContact CB-CD1 4.39Å; I1552-L1562 HydrophobicContact CG2-CD1 4.01Å; I1552-L1562 HydrophobicContact CG2-CG 4.1Å |
| 1553 | A | 87.6 | Confident | 85 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -75.6 | -1.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1549 A1550 H1555 I1559 L1562 T1612 T1615 | Y1549-A1553 VanDerWaalsContact O-CB 3.28Å; Y1549-A1553 WeakPolarHBondContact O-CB 3.45Å; Y1549-A1553 PolarHBondContact O-N 3.38Å; A1550-A1553 CarbonylContact O-C 3.59Å; A1550-A1553 PolarHBondContact O-N 3.28Å; A1550-A1553 VanDerWaalsContact O-N 3.07Å; A1553-H1555 PolarHBondContact O-N 3.21Å; A1553-I1559 HydrophobicContact CB-CD1 4.12Å; A1553-L1562 HydrophobicContact CB-CD1 4.49Å; A1553-T1612 HydrophobicContact CB-CG2 4.19Å; A1553-T1615 HydrophobicContact CB-CG2 4.17Å; A1553-T1615 PolarHBondContact O-OG1 2.8Å |
| 1554 | E | 86 | Confident | 85.8 | Confident | 66 Ų | 66 | 30.6 Ų | 30.6 | 31% | 0.308 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.7 | 178.2 | -53.4 | -154.5 | 84.6 | 0 | 0 | 113.8 | S1351 K1546 A1550 I1552 T1615 Y1617 | S1351-E1554 VanDerWaalsContact CB-OE2 3.31Å; S1351-E1554 WeakPolarHBondContact CB-OE2 3.42Å; K1546-E1554 WeakPolarHBondContact CE-OE2 3.47Å; K1546-E1554 IonicContact NZ-OE1 3.65Å; K1546-E1554 PolarHBondContact NZ-OE1 2.78Å; K1546-E1554 IonicContact NZ-OE2 3.69Å; K1546-E1554 PolarHBondContact NZ-OE2 3.22Å; A1550-E1554 WeakPolarHBondContact O-CG 3.49Å; A1550-E1554 PolarHBondContact O-N 2.68Å; I1552-E1554 VanDerWaalsContact C-N 3.25Å; I1552-E1554 PolarHBondContact O-N 3.48Å; E1554-T1615 HydrophobicContact CG-CG2 4.23Å; E1554-Y1617 VanDerWaalsContact O-CD2 3.28Å; E1554-Y1617 WeakPolarHBondContact O-CD2 3.38Å; E1554-Y1617 WeakPolarHBondContact O-CE2 3.46Å |
| 1555 | H | 88.9 | Confident | 86.1 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -138.8 | 159.2 | 177.9 | 59 | 81 | 0 | 0 | 0 | 113 | L1350 S1351 T1353 F1356 A1553 N1557 G1558 I1559 | L1350-H1555 PolarHBondContact O-NE2 3.48Å; S1351-H1555 PolarHBondContact O-CD2 2.89Å; T1353-H1555 HydrophobicContact CG2-CB 3.41Å; T1353-H1555 VanDerWaalsContact CG2-CB 3.41Å; F1356-H1555 AromaticContact CD1-CE1 3.49Å; F1356-H1555 VanDerWaalsContact CD1-CE1 3.49Å; F1356-H1555 WeakPolarHBondContact CD1-CE1 3.36Å; F1356-H1555 AromaticContact CD2-CE1 3.73Å; F1356-H1555 AromaticContact CD2-NE2 3.94Å; F1356-H1555 AromaticContact CE1-CE1 3.84Å; F1356-H1555 AromaticContact CG-CE1 3.43Å; F1356-H1555 VanDerWaalsContact CG-CE1 3.43Å; F1356-H1555 WeakPolarHBondContact CG-CE1 3.25Å; F1356-H1555 AromaticContact CG-NE2 3.79Å; A1553-H1555 PolarHBondContact O-N 3.21Å; H1555-N1557 VanDerWaalsContact C-N 3.29Å; H1555-N1557 PolarHBondContact O-N 3.48Å; H1555-G1558 PolarHBondContact CE1-N 3.47Å; H1555-G1558 PolarHBondContact ND1-N 3.47Å; H1555-G1558 PolarHBondContact O-N 3.23Å; H1555-I1559 PolarHBondContact O-N 3.47Å; H1555-I1559 VanDerWaalsContact O-N 3.15Å |
| 1556 | R | 85.3 | Confident | 86.5 | Confident | 167 Ų | 167 | 37.7 Ų | 37.7 | 63% | 0.63 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -60.1 | -35.3 | -173.8 | -169.1 | 178.1 | -178.4 | -167.2 | -1.2 | 113.3 | I1559 N1560 Y1617 | R1556-I1559 WeakPolarHBondContact O-CG2 3.27Å; R1556-N1560 WeakPolarHBondContact O-CB 3.49Å; R1556-N1560 PolarHBondContact O-N 3.28Å; R1556-N1560 PolarHBondContact O-ND2 3.02Å; R1556-N1560 PolarHBondContact O-OD1 3.2Å; R1556-Y1617 HydrophobicContact CB-CD1 4.42Å; R1556-Y1617 HydrophobicContact CB-CE1 4.02Å |
| 1557 | N | 84.3 | Confident | 86.7 | Confident | 68 Ų | 68 | 35.9 Ų | 35.9 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -72.7 | -40.4 | -176.5 | -63.9 | -0.1 | 0 | 0 | 0 | 110.8 | F1356 D1357 H1555 L1561 | F1356-N1557 HydrophobicContact CD1-CB 4.2Å; F1356-N1557 HydrophobicContact CE1-CB 3.89Å; D1357-N1557 PolarHBondContact OD1-ND2 3.08Å; D1357-N1557 PolarHBondContact OD2-ND2 3.17Å; H1555-N1557 VanDerWaalsContact C-N 3.29Å; H1555-N1557 PolarHBondContact O-N 3.48Å; N1557-L1561 PolarHBondContact O-N 3.44Å |
| 1558 | G | 85.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.7 | -41.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1552 H1555 N1560 L1561 L1562 | I1552-G1558 CarbonylContact O-C 3.33Å; I1552-G1558 VanDerWaalsContact O-CA 3.29Å; I1552-G1558 WeakPolarHBondContact O-CA 3.42Å; H1555-G1558 PolarHBondContact CE1-N 3.47Å; H1555-G1558 PolarHBondContact ND1-N 3.47Å; H1555-G1558 PolarHBondContact O-N 3.23Å; G1558-N1560 VanDerWaalsContact C-N 3.32Å; G1558-N1560 PolarHBondContact O-N 3.28Å; G1558-L1561 WeakPolarHBondContact O-CB 3.38Å; G1558-L1561 PolarHBondContact O-N 3.39Å; G1558-L1561 VanDerWaalsContact O-N 3.17Å; G1558-L1562 PolarHBondContact O-N 3.18Å |
| 1559 | I | 86.2 | Confident | 86.5 | Confident | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 173.3 | -168.9 | 60 | 0 | 0 | 0 | 111.4 | A1553 H1555 R1556 L1561 L1562 D1563 L1568 W1621 | A1553-I1559 HydrophobicContact CB-CD1 4.12Å; H1555-I1559 PolarHBondContact O-N 3.47Å; H1555-I1559 VanDerWaalsContact O-N 3.15Å; R1556-I1559 WeakPolarHBondContact O-CG2 3.27Å; I1559-L1561 VanDerWaalsContact C-N 3.31Å; I1559-L1561 PolarHBondContact O-N 2.83Å; I1559-L1562 HydrophobicContact CD1-CD1 4.48Å; I1559-L1562 PolarHBondContact O-N 2.97Å; I1559-D1563 WeakPolarHBondContact O-CB 3.33Å; I1559-D1563 PolarHBondContact O-N 3.05Å; I1559-L1568 HydrophobicContact CD1-CD1 4.02Å; I1559-W1621 HydrophobicContact CD1-CG 4.47Å; I1559-W1621 HydrophobicContact CG1-CB 4.49Å |
| 1560 | N | 86.2 | Confident | 86.3 | Confident | 75 Ų | 75 | 42.2 Ų | 42.2 | 40% | 0.401 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.1 | -35.3 | 173.4 | -71.9 | -8 | 0 | 0 | 0 | 112.3 | R1556 G1558 D1563 T1564 | R1556-N1560 WeakPolarHBondContact O-CB 3.49Å; R1556-N1560 PolarHBondContact O-N 3.28Å; R1556-N1560 PolarHBondContact O-ND2 3.02Å; R1556-N1560 PolarHBondContact O-OD1 3.2Å; G1558-N1560 VanDerWaalsContact C-N 3.32Å; G1558-N1560 PolarHBondContact O-N 3.28Å; N1560-D1563 PolarHBondContact O-N 3.08Å; N1560-T1564 WeakPolarHBondContact O-CB 3.44Å; N1560-T1564 WeakPolarHBondContact O-CG2 3.44Å; N1560-T1564 PolarHBondContact O-N 2.74Å; N1560-T1564 PolarHBondContact O-OG1 3.16Å |
| 1561 | L | 87.1 | Confident | 86.3 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 17% | 0.173 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 174.9 | -176.4 | 64.4 | 0 | 0 | 0 | 111.6 | F1356 V1416 L1420 N1557 G1558 I1559 T1564 R1565 | F1356-L1561 HydrophobicContact CE2-CD2 4.23Å; F1356-L1561 HydrophobicContact CZ-CB 4.31Å; F1356-L1561 HydrophobicContact CZ-CD2 3.73Å; V1416-L1561 HydrophobicContact CG1-CD2 3.96Å; L1420-L1561 HydrophobicContact CD1-CD2 3.87Å; L1420-L1561 HydrophobicContact CD1-CG 4.27Å; N1557-L1561 PolarHBondContact O-N 3.44Å; G1558-L1561 WeakPolarHBondContact O-CB 3.38Å; G1558-L1561 PolarHBondContact O-N 3.39Å; G1558-L1561 VanDerWaalsContact O-N 3.17Å; I1559-L1561 VanDerWaalsContact C-N 3.31Å; I1559-L1561 PolarHBondContact O-N 2.83Å; L1561-T1564 WeakPolarHBondContact CA-OG1 3.29Å; L1561-T1564 PolarHBondContact O-OG1 3.04Å; L1561-T1564 VanDerWaalsContact O-OG1 3.12Å; L1561-R1565 HydrophobicContact CD1-CG 4.39Å; L1561-R1565 WeakPolarHBondContact O-CB 3.46Å; L1561-R1565 WeakPolarHBondContact O-CG 3.41Å; L1561-R1565 PolarHBondContact O-N 3.38Å |
| 1562 | L | 88.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67 | -38.2 | 175.7 | -67.8 | 172.4 | 0 | 0 | 0 | 112.4 | L1420 Y1549 I1552 A1553 G1558 I1559 K1566 D1567 L1568 T1612 | L1420-L1562 HydrophobicContact CD1-CD2 4.5Å; L1420-L1562 HydrophobicContact CD2-CD2 3.79Å; Y1549-L1562 HydrophobicContact CD1-CD2 4.19Å; Y1549-L1562 HydrophobicContact CE1-CD2 4.44Å; Y1549-L1562 HydrophobicContact CG-CD2 4.49Å; I1552-L1562 HydrophobicContact CB-CD1 4.39Å; I1552-L1562 HydrophobicContact CG2-CD1 4.01Å; I1552-L1562 HydrophobicContact CG2-CG 4.1Å; A1553-L1562 HydrophobicContact CB-CD1 4.49Å; G1558-L1562 PolarHBondContact O-N 3.18Å; I1559-L1562 HydrophobicContact CD1-CD1 4.48Å; I1559-L1562 PolarHBondContact O-N 2.97Å; L1562-K1566 PolarHBondContact O-N 2.87Å; L1562-D1567 PolarHBondContact O-N 3.34Å; L1562-L1568 HydrophobicContact CB-CD1 4.07Å; L1562-L1568 HydrophobicContact CB-CG 4.17Å; L1562-L1568 HydrophobicContact CD1-CD1 4.5Å; L1562-T1612 HydrophobicContact CD1-CG2 4.41Å |
| 1563 | D | 86 | Confident | 86.2 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -48.7 | 176.5 | -141.3 | 30.2 | 0 | 0 | 0 | 110.5 | I1559 N1560 R1565 K1566 W1621 K1624 | I1559-D1563 WeakPolarHBondContact O-CB 3.33Å; I1559-D1563 PolarHBondContact O-N 3.05Å; N1560-D1563 PolarHBondContact O-N 3.08Å; D1563-R1565 PolarHBondContact O-N 3.38Å; D1563-K1566 PolarHBondContact O-N 2.9Å; D1563-K1566 VanDerWaalsContact O-N 3.08Å; D1563-W1621 PolarHBondContact OD1-NE1 3.03Å; D1563-K1624 IonicContact OD2-NZ 3.79Å |
| 1564 | T | 86.5 | Confident | 86 | Confident | 111 Ų | 111 | 47.9 Ų | 47.9 | 68% | 0.681 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -67.7 | -33.9 | 179.5 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | N1560 L1561 K1566 | N1560-T1564 WeakPolarHBondContact O-CB 3.44Å; N1560-T1564 WeakPolarHBondContact O-CG2 3.44Å; N1560-T1564 PolarHBondContact O-N 2.74Å; N1560-T1564 PolarHBondContact O-OG1 3.16Å; L1561-T1564 WeakPolarHBondContact CA-OG1 3.29Å; L1561-T1564 PolarHBondContact O-OG1 3.04Å; L1561-T1564 VanDerWaalsContact O-OG1 3.12Å; T1564-K1566 VanDerWaalsContact C-N 3.26Å; T1564-K1566 PolarHBondContact O-N 3.35Å |
| 1565 | R | 84.1 | Confident | 85.9 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.5 | 171.3 | -75.7 | -179.5 | 53.7 | 105.7 | 9.6 | 114 | N1417 D1421 L1561 D1563 D1567 | N1417-R1565 WeakPolarHBondContact OD1-CD 3.47Å; N1417-R1565 PolarHBondContact OD1-NH1 3.15Å; D1421-R1565 VanDerWaalsContact CG-NH2 3.35Å; D1421-R1565 IonicContact OD1-CZ 2.61Å; D1421-R1565 IonicContact OD1-NH2 2.66Å; D1421-R1565 PolarHBondContact OD1-NH2 3.34Å; D1421-R1565 IonicContact OD2-CZ 3.54Å; D1421-R1565 IonicContact OD2-NH1 2.97Å; D1421-R1565 PolarHBondContact OD2-NH1 2.68Å; D1421-R1565 IonicContact OD2-NH2 3.97Å; D1421-R1565 PolarHBondContact OD2-NH2 2.92Å; L1561-R1565 HydrophobicContact CD1-CG 4.39Å; L1561-R1565 WeakPolarHBondContact O-CB 3.46Å; L1561-R1565 WeakPolarHBondContact O-CG 3.41Å; L1561-R1565 PolarHBondContact O-N 3.38Å; D1563-R1565 PolarHBondContact O-N 3.38Å; R1565-D1567 WeakPolarHBondContact CB-OD2 3.5Å; R1565-D1567 IonicContact CZ-OD2 3.8Å; R1565-D1567 IonicContact NE-OD2 2.67Å; R1565-D1567 PolarHBondContact NE-OD2 3.4Å; R1565-D1567 IonicContact NH2-OD1 2.75Å; R1565-D1567 IonicContact NH2-OD2 2.77Å; R1565-D1567 PolarHBondContact NH2-OD2 3.33Å; R1565-D1567 VanDerWaalsContact NH2-OD2 3.11Å; R1565-D1567 PolarHBondContact O-N 2.99Å; R1565-D1567 VanDerWaalsContact O-N 3.12Å |
| 1566 | K | 86.6 | Confident | 85.7 | Confident | 107 Ų | 107 | 50.4 Ų | 50.4 | 47% | 0.465 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 13.9 | -175.9 | -61.1 | -178.6 | 161.2 | -68.1 | 0 | 115.1 | L1562 D1563 T1564 L1568 E1569 T1570 | L1562-K1566 PolarHBondContact O-N 2.87Å; D1563-K1566 PolarHBondContact O-N 2.9Å; D1563-K1566 VanDerWaalsContact O-N 3.08Å; T1564-K1566 VanDerWaalsContact C-N 3.26Å; T1564-K1566 PolarHBondContact O-N 3.35Å; K1566-L1568 PolarHBondContact O-N 3.22Å; K1566-E1569 HydrophobicContact CB-CB 4.31Å; K1566-E1569 HydrophobicContact CB-CG 4.48Å; K1566-E1569 VanDerWaalsContact CD-OE2 3.29Å; K1566-E1569 WeakPolarHBondContact CD-OE2 3.39Å; K1566-E1569 WeakPolarHBondContact CG-OE2 3.48Å; K1566-E1569 IonicContact NZ-OE1 2.73Å; K1566-E1569 PolarHBondContact NZ-OE1 2.95Å; K1566-E1569 IonicContact NZ-OE2 2.96Å; K1566-E1569 PolarHBondContact NZ-OE2 3.47Å; K1566-E1569 PolarHBondContact O-N 2.94Å; K1566-T1570 PolarHBondContact O-N 3.1Å |
| 1567 | D | 85.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.2 | -35.2 | -175.7 | -74.4 | -36.4 | 0 | 0 | 0 | 111.3 | R1424 L1562 R1565 T1570 A1571 | R1424-D1567 WeakPolarHBondContact CD-OD1 3.4Å; R1424-D1567 IonicContact CZ-OD1 3.82Å; R1424-D1567 VanDerWaalsContact CZ-OD1 3.29Å; R1424-D1567 IonicContact NE-OD1 2.94Å; R1424-D1567 PolarHBondContact NE-OD1 3.47Å; R1424-D1567 IonicContact NH1-OD1 3.66Å; R1424-D1567 PolarHBondContact NH1-OD1 3.09Å; L1562-D1567 PolarHBondContact O-N 3.34Å; R1565-D1567 WeakPolarHBondContact CB-OD2 3.5Å; R1565-D1567 IonicContact CZ-OD2 3.8Å; R1565-D1567 IonicContact NE-OD2 2.67Å; R1565-D1567 PolarHBondContact NE-OD2 3.4Å; R1565-D1567 IonicContact NH2-OD1 2.75Å; R1565-D1567 IonicContact NH2-OD2 2.77Å; R1565-D1567 PolarHBondContact NH2-OD2 3.33Å; R1565-D1567 VanDerWaalsContact NH2-OD2 3.11Å; R1565-D1567 PolarHBondContact O-N 2.99Å; R1565-D1567 VanDerWaalsContact O-N 3.12Å; D1567-T1570 PolarHBondContact O-OG1 2.94Å; D1567-A1571 PolarHBondContact O-N 3.05Å |
| 1568 | L | 85.9 | Confident | 85 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.3 | -37.7 | 174.1 | -54.7 | -178.9 | 0 | 0 | 0 | 113.6 | Y1549 I1559 L1562 K1566 T1570 A1571 I1572 L1609 T1612 W1621 | Y1549-L1568 HydrophobicContact CD2-CD2 4.05Å; Y1549-L1568 HydrophobicContact CE2-CD2 4.47Å; I1559-L1568 HydrophobicContact CD1-CD1 4.02Å; L1562-L1568 HydrophobicContact CB-CD1 4.07Å; L1562-L1568 HydrophobicContact CB-CG 4.17Å; L1562-L1568 HydrophobicContact CD1-CD1 4.5Å; K1566-L1568 PolarHBondContact O-N 3.22Å; L1568-T1570 VanDerWaalsContact C-N 3.29Å; L1568-T1570 PolarHBondContact O-N 2.81Å; L1568-A1571 PolarHBondContact O-N 2.85Å; L1568-I1572 PolarHBondContact O-N 3.32Å; L1568-I1572 VanDerWaalsContact O-N 3.14Å; L1568-L1609 HydrophobicContact CB-CD2 4.15Å; L1568-L1609 HydrophobicContact CD2-CD2 4.2Å; L1568-T1612 HydrophobicContact CD2-CG2 4.01Å; L1568-W1621 HydrophobicContact CB-CH2 3.66Å; L1568-W1621 HydrophobicContact CB-CZ2 3.62Å; L1568-W1621 HydrophobicContact CD1-CD2 4.38Å; L1568-W1621 HydrophobicContact CD1-CH2 4.11Å; L1568-W1621 HydrophobicContact CD1-CZ2 3.93Å; L1568-W1621 HydrophobicContact CD1-CZ3 4.42Å; L1568-W1621 HydrophobicContact CG-CZ2 4.44Å |
| 1569 | E | 85.9 | Confident | 84.4 | Confident | 77 Ų | 77 | 45.6 Ų | 45.6 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 175.2 | -66.7 | -175.1 | 166.3 | 0 | 0 | 111.1 | K1566 A1571 I1572 A1573 | K1566-E1569 HydrophobicContact CB-CB 4.31Å; K1566-E1569 HydrophobicContact CB-CG 4.48Å; K1566-E1569 VanDerWaalsContact CD-OE2 3.29Å; K1566-E1569 WeakPolarHBondContact CD-OE2 3.39Å; K1566-E1569 WeakPolarHBondContact CG-OE2 3.48Å; K1566-E1569 IonicContact NZ-OE1 2.73Å; K1566-E1569 PolarHBondContact NZ-OE1 2.95Å; K1566-E1569 IonicContact NZ-OE2 2.96Å; K1566-E1569 PolarHBondContact NZ-OE2 3.47Å; K1566-E1569 PolarHBondContact O-N 2.94Å; E1569-A1571 VanDerWaalsContact C-N 3.33Å; E1569-A1571 PolarHBondContact O-N 3.41Å; E1569-I1572 PolarHBondContact O-N 3.22Å; E1569-A1573 WeakPolarHBondContact O-CB 3.42Å; E1569-A1573 PolarHBondContact O-N 3.33Å |
| 1570 | T | 86.6 | Confident | 83.5 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.6 | -35 | 178.2 | 65.9 | 0 | 0 | 0 | 0 | 112.7 | K1566 D1567 L1568 A1573 N1574 | K1566-T1570 PolarHBondContact O-N 3.1Å; D1567-T1570 PolarHBondContact O-OG1 2.94Å; L1568-T1570 VanDerWaalsContact C-N 3.29Å; L1568-T1570 PolarHBondContact O-N 2.81Å; T1570-A1573 PolarHBondContact O-N 3.28Å; T1570-N1574 PolarHBondContact O-N 3.14Å; T1570-N1574 PolarHBondContact O-ND2 2.99Å; T1570-N1574 PolarHBondContact O-OD1 3.1Å |
| 1571 | A | 86.1 | Confident | 82.5 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1567 L1568 E1569 N1574 M1575 D1605 L1609 | D1567-A1571 PolarHBondContact O-N 3.05Å; L1568-A1571 PolarHBondContact O-N 2.85Å; E1569-A1571 VanDerWaalsContact C-N 3.33Å; E1569-A1571 PolarHBondContact O-N 3.41Å; A1571-N1574 PolarHBondContact O-N 3.44Å; A1571-M1575 PolarHBondContact O-N 3.24Å; A1571-D1605 HydrophobicContact CB-CB 3.95Å; A1571-L1609 HydrophobicContact CB-CD1 3.59Å; A1571-L1609 HydrophobicContact CB-CD2 4.48Å; A1571-L1609 HydrophobicContact CB-CG 3.95Å |
| 1572 | I | 86.8 | Confident | 81.4 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 9% | 0.092 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 172 | -65.3 | -176.2 | 0 | 0 | 0 | 110.6 | L1568 E1569 N1574 M1575 R1576 L1609 W1621 L1628 L1631 | L1568-I1572 PolarHBondContact O-N 3.32Å; L1568-I1572 VanDerWaalsContact O-N 3.14Å; E1569-I1572 PolarHBondContact O-N 3.22Å; I1572-N1574 PolarHBondContact O-N 3.46Å; I1572-M1575 PolarHBondContact O-N 3.22Å; I1572-R1576 PolarHBondContact O-N 3.49Å; I1572-L1609 HydrophobicContact CG1-CD1 3.77Å; I1572-L1609 HydrophobicContact CG1-CD2 4.13Å; I1572-W1621 HydrophobicContact CD1-CH2 3.65Å; I1572-W1621 HydrophobicContact CD1-CZ3 4.28Å; I1572-L1628 HydrophobicContact CD1-CB 4.43Å; I1572-L1628 HydrophobicContact CD1-CD1 4.47Å; I1572-L1628 HydrophobicContact CD1-CD2 4.19Å; I1572-L1628 HydrophobicContact CG1-CD1 4.26Å; I1572-L1631 HydrophobicContact CG2-CD1 4.21Å |
| 1573 | A | 84.8 | Confident | 80.3 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1569 T1570 R1576 S1577 | E1569-A1573 WeakPolarHBondContact O-CB 3.42Å; E1569-A1573 PolarHBondContact O-N 3.33Å; T1570-A1573 PolarHBondContact O-N 3.28Å; A1573-R1576 PolarHBondContact O-N 3.15Å; A1573-S1577 WeakPolarHBondContact O-CB 3.23Å; A1573-S1577 PolarHBondContact O-N 3.37Å; A1573-S1577 PolarHBondContact O-OG 3.43Å |
| 1574 | N | 83.3 | Confident | 78.7 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 173.5 | -66.1 | -19.3 | 0 | 0 | 0 | 111.8 | T1570 A1571 I1572 S1577 V1578 D1605 | T1570-N1574 PolarHBondContact O-N 3.14Å; T1570-N1574 PolarHBondContact O-ND2 2.99Å; T1570-N1574 PolarHBondContact O-OD1 3.1Å; A1571-N1574 PolarHBondContact O-N 3.44Å; I1572-N1574 PolarHBondContact O-N 3.46Å; N1574-S1577 PolarHBondContact O-OG 3.26Å; N1574-S1577 VanDerWaalsContact O-OG 3.1Å; N1574-V1578 WeakPolarHBondContact O-CG2 3.37Å; N1574-V1578 PolarHBondContact O-N 3.16Å; N1574-D1605 VanDerWaalsContact CB-OD2 3.29Å; N1574-D1605 WeakPolarHBondContact CB-OD2 3.41Å; N1574-D1605 PolarHBondContact ND2-OD2 3.26Å |
| 1575 | M | 84.9 | Confident | 76.8 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.4 | -44 | 174.5 | -83.9 | -151.7 | -95 | 0 | 0 | 112 | A1571 I1572 L1579 L1602 M1606 L1609 L1628 F1632 L1635 | A1571-M1575 PolarHBondContact O-N 3.24Å; I1572-M1575 PolarHBondContact O-N 3.22Å; M1575-L1579 WeakPolarHBondContact O-CB 3.39Å; M1575-L1579 PolarHBondContact O-N 3.3Å; M1575-L1602 HydrophobicContact CG-CD1 3.88Å; M1575-M1606 HydrophobicContact CE-CG 4.15Å; M1575-M1606 HydrophobicContact CG-CG 4.36Å; M1575-M1606 HydrophobicContact SD-CG 3.51Å; M1575-M1606 VanDerWaalsContact SD-CG 3.51Å; M1575-L1609 HydrophobicContact CE-CB 4.45Å; M1575-L1609 HydrophobicContact CE-CD1 3.43Å; M1575-L1609 VanDerWaalsContact CE-CD1 3.43Å; M1575-L1628 HydrophobicContact CE-CD1 3.82Å; M1575-F1632 HydrophobicContact CE-CE1 4.25Å; M1575-F1632 HydrophobicContact CE-CE2 4.23Å; M1575-F1632 HydrophobicContact CE-CZ 3.89Å; M1575-L1635 HydrophobicContact SD-CD1 3.85Å |
| 1576 | R | 83.4 | Confident | 74.6 | Confident | 123 Ų | 123 | 61 Ų | 61 | 46% | 0.464 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.9 | -35.3 | -179 | -164 | -164.5 | -73.5 | 143 | -9.1 | 112.7 | I1572 A1573 P1580 E1627 | I1572-R1576 PolarHBondContact O-N 3.49Å; A1573-R1576 PolarHBondContact O-N 3.15Å; R1576-P1580 WeakPolarHBondContact O-CD 3.37Å; R1576-E1627 IonicContact CZ-OE1 2.69Å; R1576-E1627 VanDerWaalsContact CZ-OE1 3.25Å; R1576-E1627 IonicContact CZ-OE2 2.84Å; R1576-E1627 IonicContact NE-OE1 2.91Å; R1576-E1627 PolarHBondContact NE-OE1 3.41Å; R1576-E1627 IonicContact NE-OE2 3.78Å; R1576-E1627 IonicContact NH2-OE1 3.41Å; R1576-E1627 PolarHBondContact NH2-OE1 3.38Å; R1576-E1627 IonicContact NH2-OE2 3.79Å; R1576-E1627 PolarHBondContact NH2-OE2 3.45Å |
| 1577 | S | 81.1 | Confident | 72 | Confident | 74 Ų | 74 | 65.9 Ų | 65.9 | 52% | 0.517 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.8 | -32.3 | 179.4 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | A1573 N1574 P1580 | A1573-S1577 WeakPolarHBondContact O-CB 3.23Å; A1573-S1577 PolarHBondContact O-N 3.37Å; A1573-S1577 PolarHBondContact O-OG 3.43Å; N1574-S1577 PolarHBondContact O-OG 3.26Å; N1574-S1577 VanDerWaalsContact O-OG 3.1Å; S1577-P1580 WeakPolarHBondContact O-CD 3.23Å |
| 1578 | V | 74.5 | Confident | 69.5 | Low | 30 Ų | 30 | 74 Ų | 74 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -85.7 | -25.2 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | N1574 Q1581 I1582 L1602 | N1574-V1578 WeakPolarHBondContact O-CG2 3.37Å; N1574-V1578 PolarHBondContact O-N 3.16Å; V1578-Q1581 WeakPolarHBondContact O-CB 3.34Å; V1578-Q1581 PolarHBondContact O-N 3.43Å; V1578-I1582 HydrophobicContact CG1-CD1 3.51Å; V1578-I1582 HydrophobicContact CG1-CG1 3.87Å; V1578-I1582 PolarHBondContact O-N 3.28Å; V1578-I1582 VanDerWaalsContact O-N 3.15Å; V1578-L1602 HydrophobicContact CB-CD1 4.18Å; V1578-L1602 HydrophobicContact CG1-CD1 4.22Å |
| 1579 | L | 72.3 | Confident | 66.9 | Low | 30 Ų | 30 | 82.4 Ų | 82.4 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -50.7 | -46.5 | -178.6 | -172.1 | 76.2 | 0 | 0 | 0 | 114.7 | M1575 Q1581 I1582 I1583 L1631 L1635 | M1575-L1579 WeakPolarHBondContact O-CB 3.39Å; M1575-L1579 PolarHBondContact O-N 3.3Å; L1579-Q1581 VanDerWaalsContact C-N 3.29Å; L1579-Q1581 PolarHBondContact O-N 3.13Å; L1579-I1582 PolarHBondContact O-N 3.18Å; L1579-I1583 HydrophobicContact CD1-CD1 3.74Å; L1579-I1583 HydrophobicContact CG-CD1 3.9Å; L1579-I1583 WeakPolarHBondContact O-CG1 3.45Å; L1579-I1583 PolarHBondContact O-N 2.87Å; L1579-L1631 HydrophobicContact CD2-CD2 3.73Å; L1579-L1635 HydrophobicContact CD1-CD2 3.58Å; L1579-L1635 HydrophobicContact CD1-CG 3.78Å |
| 1580 | P | 67.9 | Low | 64.1 | Low | 72 Ų | 72 | 83 Ų | 83 | 47% | 0.468 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.4 | -33.6 | -179.8 | -19.7 | 33.6 | 0 | 0 | 0 | 112.7 | R1576 S1577 I1582 I1583 N1584 | R1576-P1580 WeakPolarHBondContact O-CD 3.37Å; S1577-P1580 WeakPolarHBondContact O-CD 3.23Å; P1580-I1582 VanDerWaalsContact C-N 3.3Å; P1580-I1583 PolarHBondContact O-N 3.2Å; P1580-N1584 PolarHBondContact O-N 3.21Å |
| 1581 | Q | 65 | Low | 61.4 | Low | 110 Ų | 110 | 86.4 Ų | 86.4 | 51% | 0.514 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72 | -25.4 | 179.5 | -58.3 | 175.1 | -27.8 | 0 | 0 | 112.1 | V1578 L1579 | V1578-Q1581 WeakPolarHBondContact O-CB 3.34Å; V1578-Q1581 PolarHBondContact O-N 3.43Å; L1579-Q1581 VanDerWaalsContact C-N 3.29Å; L1579-Q1581 PolarHBondContact O-N 3.13Å |
| 1582 | I | 65.1 | Low | 58.8 | Low | 17 Ų | 17 | 91 Ų | 91 | 9% | 0.087 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -88.3 | -10.8 | 179.5 | -78.8 | -174.9 | 0 | 0 | 0 | 113.2 | V1578 L1579 P1580 L1599 L1602 L1635 N1640 I1644 | V1578-I1582 HydrophobicContact CG1-CD1 3.51Å; V1578-I1582 HydrophobicContact CG1-CG1 3.87Å; V1578-I1582 PolarHBondContact O-N 3.28Å; V1578-I1582 VanDerWaalsContact O-N 3.15Å; L1579-I1582 PolarHBondContact O-N 3.18Å; P1580-I1582 VanDerWaalsContact C-N 3.3Å; I1582-L1599 HydrophobicContact CD1-CD2 4.36Å; I1582-L1602 HydrophobicContact CD1-CD2 3.54Å; I1582-L1635 HydrophobicContact CG2-CD2 4.17Å; I1582-N1640 PolarHBondContact O-N 2.96Å; I1582-N1640 VanDerWaalsContact O-N 3.08Å; I1582-I1644 HydrophobicContact CD1-CD1 3.8Å |
| 1583 | I | 63.3 | Low | 56.3 | Low | 55 Ų | 55 | 96 Ų | 96 | 28% | 0.282 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -117.4 | -27.1 | -174.6 | -65.1 | -179.8 | 0 | 0 | 0 | 113.2 | L1579 P1580 H1638 | L1579-I1583 HydrophobicContact CD1-CD1 3.74Å; L1579-I1583 HydrophobicContact CG-CD1 3.9Å; L1579-I1583 WeakPolarHBondContact O-CG1 3.45Å; L1579-I1583 PolarHBondContact O-N 2.87Å; P1580-I1583 PolarHBondContact O-N 3.2Å; I1583-H1638 HydrophobicContact CD1-CB 4.14Å; I1583-H1638 HydrophobicContact CG1-CB 4.29Å |
| 1584 | N | 53.5 | Low | 54.4 | Low | 116 Ų | 116 | 98 Ų | 98 | 62% | 0.62 | 49% | 0.488 | S | S | * | . | trans | -121.6 | 101.8 | -175.8 | -75 | -47.2 | 0 | 0 | 0 | 113.2 | P1580 K1586 | P1580-N1584 PolarHBondContact O-N 3.21Å; N1584-K1586 VanDerWaalsContact C-N 3.26Å; N1584-K1586 PolarHBondContact O-N 3.07Å | ||
| 1585 | D | 46.1 | Very low | 53 | Low | 98 Ų | 98 | 100.2 Ų | 100.2 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | trans | -73.8 | 67.9 | 177.1 | -51.8 | -58.1 | 0 | 0 | 0 | 112.6 | N1640 | D1585-N1640 PolarHBondContact OD1-ND2 3.04Å; D1585-N1640 PolarHBondContact OD2-ND2 2.96Å | ||
| 1586 | K | 37.3 | Very low | 51.7 | Low | 183 Ų | 183 | 103.5 Ų | 103.5 | 80% | 0.796 | 52% | 0.521 | S | S | * | . | trans | -139.8 | 43.3 | -178.5 | -75.2 | -161.2 | 171.9 | -172.6 | 0 | 115.2 | N1584 | N1584-K1586 VanDerWaalsContact C-N 3.26Å; N1584-K1586 PolarHBondContact O-N 3.07Å | ||
| 1587 | Y | 33 | Very low | 50.9 | Low | 210 Ų | 210 | 102.1 Ų | 102.1 | 82% | 0.824 | 52% | 0.522 | S | S | * | . | trans | -143.4 | 87 | 163.4 | -92.5 | -80.9 | 0 | 0 | 0 | 110.5 | ||||
| 1588 | E | 32 | Very low | 50.5 | Low | 174 Ų | 174 | 100.2 Ų | 100.2 | 81% | 0.813 | 51% | 0.509 | S | S | * | . | trans | -82.2 | -8.3 | -179.1 | -71.3 | -173.2 | 107.2 | 0 | 0 | 114.3 | ||||
| 1589 | E | 32.2 | Very low | 50.7 | Low | 178 Ų | 178 | 102 Ų | 102 | 83% | 0.832 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -107.8 | -8.8 | -161.9 | -62.3 | -167.9 | 132.2 | 0 | 0 | 116.6 | ||
| 1590 | T | 27.5 | Very low | 51.3 | Low | 91 Ų | 91 | 101.5 Ų | 101.5 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | trans | -111.5 | 103.4 | -178.4 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | T1592 | T1590-T1592 VanDerWaalsContact C-N 3.29Å; T1590-T1592 PolarHBondContact O-N 3.26Å | ||
| 1591 | N | 29.8 | Very low | 52.1 | Low | 132 Ų | 132 | 103 Ų | 103 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 67.1 | -179.7 | -63.8 | -84.4 | 0 | 0 | 0 | 113.2 | R379 | R379-N1591 PolarHBondContact NH2-OD1 3.4Š|
| 1592 | T | 31.3 | Very low | 53.2 | Low | 100 Ų | 100 | 98 Ų | 98 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.7 | -8.2 | -177.4 | 54.9 | 0 | 0 | 0 | 0 | 116.3 | T1590 | T1590-T1592 VanDerWaalsContact C-N 3.29Å; T1590-T1592 PolarHBondContact O-N 3.26Å |
| 1593 | F | 33 | Very low | 54.4 | Low | 125 Ų | 125 | 98.2 Ų | 98.2 | 55% | 0.548 | 49% | 0.491 | S | S | . | . | trans | -128.6 | 52.4 | -172.7 | -101.8 | -94.2 | 0 | 0 | 0 | 114.5 | ||||
| 1594 | N | 46 | Very low | 55.7 | Low | 88 Ų | 88 | 95.6 Ų | 95.6 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | trans | -107.8 | 7.8 | 161 | -106.9 | -35.3 | 0 | 0 | 0 | 113.1 | E378 R503 T1596 | E378-N1594 VanDerWaalsContact CD-ND2 3.34Å; E378-N1594 PolarHBondContact OE1-ND2 3.42Å; E378-N1594 PolarHBondContact OE1-OD1 2.78Å; E378-N1594 PolarHBondContact OE2-ND2 2.91Å; E378-N1594 VanDerWaalsContact OE2-ND2 3.08Å; R503-N1594 PolarHBondContact NH2-OD1 3.08Å; N1594-T1596 PolarHBondContact O-N 2.99Å; N1594-T1596 VanDerWaalsContact O-N 3.12Å | ||
| 1595 | D | 53.5 | Low | 57.5 | Low | 95 Ų | 95 | 90.8 Ų | 90.8 | 51% | 0.508 | 45% | 0.452 | S | S | . | . | trans | -67.4 | 106.7 | 178.3 | -98.4 | 36.9 | 0 | 0 | 0 | 111.6 | N1597 S1598 | D1595-N1597 PolarHBondContact O-N 3.4Å; D1595-S1598 WeakPolarHBondContact O-CB 3.46Å; D1595-S1598 PolarHBondContact O-N 3.45Å; D1595-S1598 PolarHBondContact O-OG 3.14Å | ||
| 1596 | T | 58.3 | Low | 59.7 | Low | 73 Ų | 73 | 86.1 Ų | 86.1 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -53.4 | -28.1 | 174.7 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | N1594 S1598 L1599 L1600 | N1594-T1596 PolarHBondContact O-N 2.99Å; N1594-T1596 VanDerWaalsContact O-N 3.12Å; T1596-S1598 VanDerWaalsContact C-N 3.27Å; T1596-S1598 PolarHBondContact O-N 3.35Å; T1596-L1599 PolarHBondContact O-N 3.11Å; T1596-L1600 WeakPolarHBondContact O-CB 3.22Å; T1596-L1600 PolarHBondContact O-N 2.83Å |
| 1597 | N | 65.8 | Low | 62.3 | Low | 94 Ų | 94 | 77.4 Ų | 77.4 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.2 | -34.4 | 173.3 | -64.8 | -40.1 | 0 | 0 | 0 | 113.3 | D1595 K1601 | D1595-N1597 PolarHBondContact O-N 3.4Å; N1597-K1601 WeakPolarHBondContact O-CB 3.31Å; N1597-K1601 PolarHBondContact O-N 3.08Å |
| 1598 | S | 72.5 | Confident | 65.1 | Low | 34 Ų | 34 | 67.4 Ų | 67.4 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 179.9 | 66.4 | 0 | 0 | 0 | 0 | 112 | D1595 T1596 L1600 K1601 L1602 | D1595-S1598 WeakPolarHBondContact O-CB 3.46Å; D1595-S1598 PolarHBondContact O-N 3.45Å; D1595-S1598 PolarHBondContact O-OG 3.14Å; T1596-S1598 VanDerWaalsContact C-N 3.27Å; T1596-S1598 PolarHBondContact O-N 3.35Å; S1598-L1600 VanDerWaalsContact C-N 3.33Å; S1598-L1600 PolarHBondContact O-N 3.28Å; S1598-K1601 PolarHBondContact O-N 3.22Å; S1598-L1602 PolarHBondContact O-N 2.67Å |
| 1599 | L | 80 | Confident | 67.9 | Low | 67 Ų | 67 | 59.1 Ų | 59.1 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 176.3 | -62.8 | -177 | 0 | 0 | 0 | 112 | I1582 T1596 L1602 K1603 I1644 | I1582-L1599 HydrophobicContact CD1-CD2 4.36Å; T1596-L1599 PolarHBondContact O-N 3.11Å; L1599-L1602 WeakPolarHBondContact O-CB 3.49Å; L1599-L1602 PolarHBondContact O-N 3.31Å; L1599-K1603 PolarHBondContact O-N 3.34Å; L1599-I1644 HydrophobicContact CD2-CD1 4Å |
| 1600 | L | 83.3 | Confident | 70.6 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 174.6 | -176.5 | 67.7 | 0 | 0 | 0 | 111.9 | V1429 A1432 Q1433 T1596 S1598 K1603 A1604 | V1429-L1600 HydrophobicContact CG1-CD2 3.63Å; V1429-L1600 HydrophobicContact CG1-CG 4Å; A1432-L1600 HydrophobicContact CB-CD1 3.9Å; Q1433-L1600 HydrophobicContact CG-CD1 3.84Å; Q1433-L1600 HydrophobicContact CG-CD2 3.58Å; Q1433-L1600 HydrophobicContact CG-CG 4.26Å; Q1433-L1600 VanDerWaalsContact NE2-CD2 3.31Å; T1596-L1600 WeakPolarHBondContact O-CB 3.22Å; T1596-L1600 PolarHBondContact O-N 2.83Å; S1598-L1600 VanDerWaalsContact C-N 3.33Å; S1598-L1600 PolarHBondContact O-N 3.28Å; L1600-K1603 PolarHBondContact O-N 3.16Å; L1600-A1604 PolarHBondContact O-N 3.26Å |
| 1601 | K | 85.9 | Confident | 73.5 | Confident | 102 Ų | 102 | 46.6 Ų | 46.6 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 173.1 | -169.2 | -176.6 | 177.6 | -168.2 | 0 | 111.9 | N1597 S1598 K1603 A1604 D1605 | N1597-K1601 WeakPolarHBondContact O-CB 3.31Å; N1597-K1601 PolarHBondContact O-N 3.08Å; S1598-K1601 PolarHBondContact O-N 3.22Å; K1601-K1603 PolarHBondContact O-N 3.34Å; K1601-A1604 WeakPolarHBondContact O-CB 3.45Å; K1601-A1604 PolarHBondContact O-N 3.03Å; K1601-A1604 VanDerWaalsContact O-N 3.14Å; K1601-D1605 PolarHBondContact O-N 3.24Å |
| 1602 | L | 88.8 | Confident | 76.2 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -48 | 172.3 | -171.7 | 80.2 | 0 | 0 | 0 | 111.1 | M1575 V1578 I1582 S1598 L1599 A1604 D1605 M1606 I1644 | M1575-L1602 HydrophobicContact CG-CD1 3.88Å; V1578-L1602 HydrophobicContact CB-CD1 4.18Å; V1578-L1602 HydrophobicContact CG1-CD1 4.22Å; I1582-L1602 HydrophobicContact CD1-CD2 3.54Å; S1598-L1602 PolarHBondContact O-N 2.67Å; L1599-L1602 WeakPolarHBondContact O-CB 3.49Å; L1599-L1602 PolarHBondContact O-N 3.31Å; L1602-A1604 VanDerWaalsContact C-N 3.29Å; L1602-A1604 PolarHBondContact O-N 2.92Å; L1602-D1605 PolarHBondContact O-N 3.38Å; L1602-M1606 HydrophobicContact CD2-SD 4.29Å; L1602-M1606 HydrophobicContact CG-SD 4.05Å; L1602-M1606 WeakPolarHBondContact O-CB 3.42Å; L1602-M1606 WeakPolarHBondContact O-CG 3.2Å; L1602-M1606 PolarHBondContact O-N 3.5Å; L1602-I1644 HydrophobicContact CD2-CD1 4.08Å; L1602-I1644 HydrophobicContact CD2-CG2 4.21Å |
| 1603 | K | 90 | Very high | 78.9 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 173.9 | -73.2 | -175.5 | 178.2 | -174 | 0 | 112.4 | A1432 D1436 L1599 L1600 K1601 M1606 W1607 V1647 | A1432-K1603 HydrophobicContact CB-CB 4.15Å; D1436-K1603 IonicContact OD1-NZ 3.29Å; D1436-K1603 PolarHBondContact OD1-NZ 2.88Å; D1436-K1603 IonicContact OD2-NZ 2.62Å; D1436-K1603 PolarHBondContact OD2-NZ 3.16Å; L1599-K1603 PolarHBondContact O-N 3.34Å; L1600-K1603 PolarHBondContact O-N 3.16Å; K1601-K1603 PolarHBondContact O-N 3.34Å; K1603-M1606 PolarHBondContact O-N 3.19Å; K1603-W1607 PolarHBondContact O-N 2.92Å; K1603-V1647 HydrophobicContact CD-CG2 4.37Å; K1603-V1647 HydrophobicContact CG-CG2 4.47Å |
| 1604 | A | 90.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1428 V1429 A1432 L1600 K1601 L1602 W1607 A1608 | N1428-A1604 HydrophobicContact CB-CB 4.08Å; N1428-A1604 VanDerWaalsContact O-CB 3.26Å; N1428-A1604 WeakPolarHBondContact O-CB 3.38Å; V1429-A1604 HydrophobicContact CG2-CB 4.24Å; A1432-A1604 HydrophobicContact CB-CB 4.07Å; L1600-A1604 PolarHBondContact O-N 3.26Å; K1601-A1604 WeakPolarHBondContact O-CB 3.45Å; K1601-A1604 PolarHBondContact O-N 3.03Å; K1601-A1604 VanDerWaalsContact O-N 3.14Å; L1602-A1604 VanDerWaalsContact C-N 3.29Å; L1602-A1604 PolarHBondContact O-N 2.92Å; A1604-W1607 PolarHBondContact O-N 3.26Å; A1604-A1608 VanDerWaalsContact O-CB 3.28Å; A1604-A1608 WeakPolarHBondContact O-CB 3.29Å; A1604-A1608 PolarHBondContact O-N 2.75Å |
| 1605 | D | 91.2 | Very high | 83.1 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 8% | 0.08 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.6 | -37.9 | 177.9 | -70.8 | -14.6 | 0 | 0 | 0 | 111.6 | A1571 N1574 K1601 L1602 L1609 | A1571-D1605 HydrophobicContact CB-CB 3.95Å; N1574-D1605 VanDerWaalsContact CB-OD2 3.29Å; N1574-D1605 WeakPolarHBondContact CB-OD2 3.41Å; N1574-D1605 PolarHBondContact ND2-OD2 3.26Å; K1601-D1605 PolarHBondContact O-N 3.24Å; L1602-D1605 PolarHBondContact O-N 3.38Å; D1605-L1609 WeakPolarHBondContact O-CB 3.34Å; D1605-L1609 PolarHBondContact O-N 2.76Å |
| 1606 | M | 91.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.6 | -52.4 | 172.1 | -72.9 | 168.9 | 75.6 | 0 | 0 | 112.3 | M1575 L1602 K1603 A1608 L1609 A1610 F1632 L1635 I1644 V1647 A1648 | M1575-M1606 HydrophobicContact CE-CG 4.15Å; M1575-M1606 HydrophobicContact CG-CG 4.36Å; M1575-M1606 HydrophobicContact SD-CG 3.51Å; M1575-M1606 VanDerWaalsContact SD-CG 3.51Å; L1602-M1606 HydrophobicContact CD2-SD 4.29Å; L1602-M1606 HydrophobicContact CG-SD 4.05Å; L1602-M1606 WeakPolarHBondContact O-CB 3.42Å; L1602-M1606 WeakPolarHBondContact O-CG 3.2Å; L1602-M1606 PolarHBondContact O-N 3.5Å; K1603-M1606 PolarHBondContact O-N 3.19Å; M1606-A1608 VanDerWaalsContact C-N 3.33Å; M1606-A1608 PolarHBondContact O-N 3.36Å; M1606-L1609 PolarHBondContact O-N 2.72Å; M1606-A1610 WeakPolarHBondContact O-CB 3.38Å; M1606-A1610 PolarHBondContact O-N 2.73Å; M1606-F1632 HydrophobicContact CB-CE1 4.03Å; M1606-F1632 HydrophobicContact CE-CD1 4.41Å; M1606-F1632 HydrophobicContact CE-CE1 4.29Å; M1606-F1632 HydrophobicContact CG-CE1 4.11Å; M1606-L1635 HydrophobicContact CE-CD1 4.31Å; M1606-L1635 HydrophobicContact SD-CD1 4.38Å; M1606-I1644 HydrophobicContact CE-CG2 4.33Å; M1606-I1644 HydrophobicContact SD-CG2 4.3Å; M1606-V1647 HydrophobicContact CE-CB 4.33Å; M1606-V1647 HydrophobicContact CE-CG1 4.02Å; M1606-A1648 VanDerWaalsContact CE-CA 3.44Å; M1606-A1648 HydrophobicContact CE-CB 3.56Å |
| 1607 | W | 92.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 177.8 | -80.4 | 121.6 | 0 | 0 | 0 | 111.6 | L706 Y1431 F1439 L1544 K1603 A1604 L1609 H1611 V1647 I1650 | L706-W1607 HydrophobicContact CD2-CH2 4.47Å; Y1431-W1607 HydrophobicContact CD1-CB 4.17Å; Y1431-W1607 HydrophobicContact CD1-CG 4.28Å; Y1431-W1607 HydrophobicContact CE1-CB 4.01Å; Y1431-W1607 HydrophobicContact CE1-CD2 4.21Å; Y1431-W1607 AromaticContact CE1-CG 3.96Å; Y1431-W1607 HydrophobicContact CE1-CG 3.96Å; F1439-W1607 HydrophobicContact CE2-CZ2 4.21Å; L1544-W1607 HydrophobicContact CD1-CE3 4.33Å; L1544-W1607 HydrophobicContact CD1-CH2 3.96Å; L1544-W1607 HydrophobicContact CD1-CZ3 3.75Å; L1544-W1607 HydrophobicContact CD2-CH2 4.5Å; L1544-W1607 HydrophobicContact CD2-CZ3 3.77Å; L1544-W1607 HydrophobicContact CG-CZ3 4.44Å; K1603-W1607 PolarHBondContact O-N 2.92Å; A1604-W1607 PolarHBondContact O-N 3.26Å; W1607-L1609 PolarHBondContact O-N 2.86Å; W1607-H1611 VanDerWaalsContact O-CB 3.29Å; W1607-H1611 WeakPolarHBondContact O-CB 3.39Å; W1607-H1611 PolarHBondContact O-CD2 2.71Å; W1607-H1611 PolarHBondContact O-N 2.98Å; W1607-V1647 HydrophobicContact CZ2-CG1 4.26Å; W1607-I1650 HydrophobicContact CH2-CB 4.41Å; W1607-I1650 HydrophobicContact CH2-CG2 3.71Å; W1607-I1650 HydrophobicContact CZ3-CG2 4.18Å |
| 1608 | A | 91.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1549 A1604 M1606 T1612 | Y1549-A1608 HydrophobicContact CD2-CB 3.83Å; Y1549-A1608 HydrophobicContact CE2-CB 4.01Å; A1604-A1608 VanDerWaalsContact O-CB 3.28Å; A1604-A1608 WeakPolarHBondContact O-CB 3.29Å; A1604-A1608 PolarHBondContact O-N 2.75Å; M1606-A1608 VanDerWaalsContact C-N 3.33Å; M1606-A1608 PolarHBondContact O-N 3.36Å; A1608-T1612 PolarHBondContact O-N 3.15Å; A1608-T1612 VanDerWaalsContact O-N 3.17Å; A1608-T1612 PolarHBondContact O-OG1 3.15Å |
| 1609 | L | 90.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -73.4 | -38.4 | 179.7 | -78.3 | 166.3 | 0 | 0 | 0 | 113.5 | L1568 A1571 I1572 M1575 D1605 M1606 W1607 H1611 T1612 C1613 W1621 L1628 F1632 | L1568-L1609 HydrophobicContact CB-CD2 4.15Å; L1568-L1609 HydrophobicContact CD2-CD2 4.2Å; A1571-L1609 HydrophobicContact CB-CD1 3.59Å; A1571-L1609 HydrophobicContact CB-CD2 4.48Å; A1571-L1609 HydrophobicContact CB-CG 3.95Å; I1572-L1609 HydrophobicContact CG1-CD1 3.77Å; I1572-L1609 HydrophobicContact CG1-CD2 4.13Å; M1575-L1609 HydrophobicContact CE-CB 4.45Å; M1575-L1609 HydrophobicContact CE-CD1 3.43Å; M1575-L1609 VanDerWaalsContact CE-CD1 3.43Å; D1605-L1609 WeakPolarHBondContact O-CB 3.34Å; D1605-L1609 PolarHBondContact O-N 2.76Å; M1606-L1609 PolarHBondContact O-N 2.72Å; W1607-L1609 PolarHBondContact O-N 2.86Å; L1609-H1611 VanDerWaalsContact C-N 3.33Å; L1609-T1612 PolarHBondContact O-N 3.46Å; L1609-T1612 PolarHBondContact O-OG1 3.02Å; L1609-C1613 WeakPolarHBondContact O-CB 3.49Å; L1609-C1613 PolarHBondContact O-N 3.39Å; L1609-C1613 PolarHBondContact O-SG 3.42Å; L1609-W1621 HydrophobicContact CD2-CH2 4.03Å; L1609-W1621 HydrophobicContact CD2-CZ3 4.11Å; L1609-L1628 HydrophobicContact CD1-CD1 4.25Å; L1609-L1628 HydrophobicContact CD2-CD2 4.29Å; L1609-F1632 HydrophobicContact CB-CZ 4.37Å |
| 1610 | A | 88.2 | Confident | 87 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1606 C1613 S1614 F1632 C1651 L1654 I1655 | M1606-A1610 WeakPolarHBondContact O-CB 3.38Å; M1606-A1610 PolarHBondContact O-N 2.73Å; A1610-C1613 PolarHBondContact O-N 3.33Å; A1610-S1614 PolarHBondContact O-N 3.07Å; A1610-S1614 VanDerWaalsContact O-N 3.09Å; A1610-F1632 HydrophobicContact CB-CZ 4.08Å; A1610-C1651 HydrophobicContact CB-CB 3.55Å; A1610-L1654 HydrophobicContact CB-CD2 4.01Å; A1610-I1655 HydrophobicContact CB-CD1 4.29Å; A1610-I1655 HydrophobicContact CB-CG1 4.22Å |
| 1611 | H | 89.1 | Confident | 87.1 | Confident | 6 Ų | 6 | 23.8 Ų | 23.8 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.4 | -37 | 176.3 | -94.2 | -63.9 | 0 | 0 | 0 | 114 | Y1431 L1544 H1547 A1550 W1607 L1609 S1614 L1654 | Y1431-H1611 AromaticContact CZ-NE2 3.98Å; Y1431-H1611 PolarHBondContact OH-NE2 3.13Å; Y1431-H1611 VanDerWaalsContact OH-NE2 3.07Å; L1544-H1611 WeakPolarHBondContact CD2-NE2 3.36Å; H1547-H1611 HydrophobicContact CB-CB 3.61Å; H1547-H1611 VanDerWaalsContact CB-CD2 3.5Å; H1547-H1611 WeakPolarHBondContact CB-CD2 3.41Å; H1547-H1611 VanDerWaalsContact CB-CG 3.5Å; A1550-H1611 HydrophobicContact CB-CB 4.07Å; A1550-H1611 WeakPolarHBondContact CB-O 3.46Å; W1607-H1611 VanDerWaalsContact O-CB 3.29Å; W1607-H1611 WeakPolarHBondContact O-CB 3.39Å; W1607-H1611 PolarHBondContact O-CD2 2.71Å; W1607-H1611 PolarHBondContact O-N 2.98Å; L1609-H1611 VanDerWaalsContact C-N 3.33Å; H1611-S1614 PolarHBondContact O-OG 2.87Å; H1611-L1654 HydrophobicContact CB-CD2 4.48Å |
| 1612 | T | 87.7 | Confident | 87 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 171.3 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | Y1549 A1553 L1562 L1568 A1608 L1609 S1614 T1615 G1618 | Y1549-T1612 VanDerWaalsContact CB-CG2 3.45Å; A1553-T1612 HydrophobicContact CB-CG2 4.19Å; L1562-T1612 HydrophobicContact CD1-CG2 4.41Å; L1568-T1612 HydrophobicContact CD2-CG2 4.01Å; A1608-T1612 PolarHBondContact O-N 3.15Å; A1608-T1612 VanDerWaalsContact O-N 3.17Å; A1608-T1612 PolarHBondContact O-OG1 3.15Å; L1609-T1612 PolarHBondContact O-N 3.46Å; L1609-T1612 PolarHBondContact O-OG1 3.02Å; T1612-S1614 PolarHBondContact O-N 2.94Å; T1612-T1615 WeakPolarHBondContact O-CB 3.38Å; T1612-T1615 PolarHBondContact O-N 3.24Å; T1612-T1615 PolarHBondContact O-OG1 2.64Å; T1612-G1618 WeakPolarHBondContact O-CA 3.47Å |
| 1613 | C | 86.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.4 | -14.8 | -176.1 | -64.6 | 0 | 0 | 0 | 0 | 114.3 | L1609 A1610 T1615 Q1619 L1622 I1655 | L1609-C1613 WeakPolarHBondContact O-CB 3.49Å; L1609-C1613 PolarHBondContact O-N 3.39Å; L1609-C1613 PolarHBondContact O-SG 3.42Å; A1610-C1613 PolarHBondContact O-N 3.33Å; C1613-T1615 VanDerWaalsContact C-N 3.3Å; C1613-Q1619 WeakPolarHBondContact O-CG 3.36Å; C1613-L1622 HydrophobicContact CB-CD2 4.36Å; C1613-I1655 HydrophobicContact CB-CD1 4.25Å; C1613-I1655 HydrophobicContact CB-CG1 3.91Å; C1613-I1655 HydrophobicContact CB-CG2 3.96Å |
| 1614 | S | 84.3 | Confident | 86.1 | Confident | 26 Ų | 26 | 29.4 Ų | 29.4 | 18% | 0.182 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7.8 | 171.7 | 80.1 | 0 | 0 | 0 | 0 | 113.8 | A1610 H1611 T1612 L1654 S1658 | A1610-S1614 PolarHBondContact O-N 3.07Å; A1610-S1614 VanDerWaalsContact O-N 3.09Å; H1611-S1614 PolarHBondContact O-OG 2.87Å; T1612-S1614 PolarHBondContact O-N 2.94Å; S1614-L1654 WeakPolarHBondContact CB-O 3.46Å; S1614-S1658 PolarHBondContact O-OG 3.23Å |
| 1615 | T | 84.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -84.5 | 156.9 | 173.5 | 67.7 | 0 | 0 | 0 | 0 | 111.6 | A1550 A1553 E1554 T1612 C1613 Y1617 G1618 Q1619 | A1550-T1615 HydrophobicContact CB-CG2 4.13Å; A1550-T1615 WeakPolarHBondContact O-CG2 3.49Å; A1553-T1615 HydrophobicContact CB-CG2 4.17Å; A1553-T1615 PolarHBondContact O-OG1 2.8Å; E1554-T1615 HydrophobicContact CG-CG2 4.23Å; T1612-T1615 WeakPolarHBondContact O-CB 3.38Å; T1612-T1615 PolarHBondContact O-N 3.24Å; T1612-T1615 PolarHBondContact O-OG1 2.64Å; C1613-T1615 VanDerWaalsContact C-N 3.3Å; T1615-Y1617 PolarHBondContact O-N 3.2Å; T1615-G1618 PolarHBondContact O-N 3.03Å; T1615-G1618 WeakPolarHBondContact OG1-CA 3.49Å; T1615-G1618 PolarHBondContact OG1-N 3.38Å; T1615-Q1619 PolarHBondContact O-N 3.35Å |
| 1616 | S | 80.9 | Confident | 84.9 | Confident | 59 Ų | 59 | 35.1 Ų | 35.1 | 41% | 0.413 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 179.2 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | Q1619 Y1620 | S1616-Q1619 PolarHBondContact O-N 3.29Å; S1616-Y1620 WeakPolarHBondContact O-CD2 3.19Å; S1616-Y1620 PolarHBondContact O-N 2.67Å |
| 1617 | Y | 84.1 | Confident | 84.5 | Confident | 97 Ų | 97 | 38.8 Ų | 38.8 | 38% | 0.38 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71.1 | -32.4 | 175.7 | -63.1 | -84.3 | 0 | 0 | 0 | 112.6 | E1554 R1556 T1615 Y1620 W1621 | E1554-Y1617 VanDerWaalsContact O-CD2 3.28Å; E1554-Y1617 WeakPolarHBondContact O-CD2 3.38Å; E1554-Y1617 WeakPolarHBondContact O-CE2 3.46Å; R1556-Y1617 HydrophobicContact CB-CD1 4.42Å; R1556-Y1617 HydrophobicContact CB-CE1 4.02Å; T1615-Y1617 PolarHBondContact O-N 3.2Å; Y1617-Y1620 PolarHBondContact O-N 3.15Å; Y1617-W1621 PolarHBondContact O-N 3.45Å |
| 1618 | G | 84 | Confident | 84.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.6 | -34.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1612 T1615 W1621 L1622 | T1612-G1618 WeakPolarHBondContact O-CA 3.47Å; T1615-G1618 PolarHBondContact O-N 3.03Å; T1615-G1618 WeakPolarHBondContact OG1-CA 3.49Å; T1615-G1618 PolarHBondContact OG1-N 3.38Å; G1618-W1621 WeakPolarHBondContact O-CB 3.46Å; G1618-W1621 PolarHBondContact O-N 2.8Å; G1618-L1622 WeakPolarHBondContact O-CB 3.36Å; G1618-L1622 PolarHBondContact O-N 3.35Å |
| 1619 | Q | 80.8 | Confident | 83.7 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 170.2 | -74.6 | -170.2 | -28.6 | 0 | 0 | 111.9 | C1613 T1615 S1616 W1621 L1622 L1623 I1655 S1658 N1660 I1662 | C1613-Q1619 WeakPolarHBondContact O-CG 3.36Å; T1615-Q1619 PolarHBondContact O-N 3.35Å; S1616-Q1619 PolarHBondContact O-N 3.29Å; Q1619-W1621 VanDerWaalsContact C-N 3.26Å; Q1619-W1621 PolarHBondContact O-N 2.89Å; Q1619-L1622 WeakPolarHBondContact O-CB 3.38Å; Q1619-L1622 PolarHBondContact O-N 3Å; Q1619-L1623 WeakPolarHBondContact O-CG 3.21Å; Q1619-L1623 PolarHBondContact O-N 3.28Å; Q1619-I1655 PolarHBondContact NE2-O 3.41Å; Q1619-S1658 VanDerWaalsContact NE2-CB 3.33Å; Q1619-S1658 PolarHBondContact NE2-OG 3.46Å; Q1619-S1658 VanDerWaalsContact NE2-OG 3.13Å; Q1619-N1660 PolarHBondContact OE1-ND2 3.35Å; Q1619-I1662 HydrophobicContact CB-CD1 4.1Å |
| 1620 | Y | 81.8 | Confident | 83.4 | Confident | 149 Ų | 149 | 43.9 Ų | 43.9 | 58% | 0.584 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.2 | -28.4 | 172.4 | -73.6 | -67.2 | 0 | 0 | 0 | 113.2 | S1616 Y1617 L1623 | S1616-Y1620 WeakPolarHBondContact O-CD2 3.19Å; S1616-Y1620 PolarHBondContact O-N 2.67Å; Y1617-Y1620 PolarHBondContact O-N 3.15Å; Y1620-L1623 HydrophobicContact CD1-CD1 4.33Å |
| 1621 | W | 84.4 | Confident | 83.2 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 2% | 0.023 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.1 | -42.3 | 171.7 | -176.2 | 90.4 | 0 | 0 | 0 | 111.8 | I1559 D1563 L1568 I1572 L1609 Y1617 G1618 Q1619 L1623 K1624 H1625 L1628 | I1559-W1621 HydrophobicContact CD1-CG 4.47Å; I1559-W1621 HydrophobicContact CG1-CB 4.49Å; D1563-W1621 PolarHBondContact OD1-NE1 3.03Å; L1568-W1621 HydrophobicContact CB-CH2 3.66Å; L1568-W1621 HydrophobicContact CB-CZ2 3.62Å; L1568-W1621 HydrophobicContact CD1-CD2 4.38Å; L1568-W1621 HydrophobicContact CD1-CH2 4.11Å; L1568-W1621 HydrophobicContact CD1-CZ2 3.93Å; L1568-W1621 HydrophobicContact CD1-CZ3 4.42Å; L1568-W1621 HydrophobicContact CG-CZ2 4.44Å; I1572-W1621 HydrophobicContact CD1-CH2 3.65Å; I1572-W1621 HydrophobicContact CD1-CZ3 4.28Å; L1609-W1621 HydrophobicContact CD2-CH2 4.03Å; L1609-W1621 HydrophobicContact CD2-CZ3 4.11Å; Y1617-W1621 PolarHBondContact O-N 3.45Å; G1618-W1621 WeakPolarHBondContact O-CB 3.46Å; G1618-W1621 PolarHBondContact O-N 2.8Å; Q1619-W1621 VanDerWaalsContact C-N 3.26Å; Q1619-W1621 PolarHBondContact O-N 2.89Å; W1621-L1623 VanDerWaalsContact C-N 3.26Å; W1621-L1623 PolarHBondContact O-N 3.43Å; W1621-K1624 VanDerWaalsContact O-CB 3.3Å; W1621-K1624 WeakPolarHBondContact O-CB 3.42Å; W1621-K1624 PolarHBondContact O-N 2.94Å; W1621-H1625 AromaticContact CD2-CD2 3.9Å; W1621-H1625 AromaticContact CE2-CD2 3.62Å; W1621-H1625 AromaticContact CE2-NE2 3.85Å; W1621-H1625 AromaticContact CZ2-CD2 3.78Å; W1621-H1625 AromaticContact CZ2-NE2 4Å; W1621-H1625 AromaticContact NE1-NE2 3.87Å; W1621-H1625 PolarHBondContact O-CD2 2.98Å; W1621-L1628 HydrophobicContact CZ3-CD2 4.07Å |
| 1622 | L | 84.2 | Confident | 83.2 | Confident | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.8 | -36.7 | 174.5 | 178.6 | 65.8 | 0 | 0 | 0 | 112.5 | C1613 G1618 Q1619 K1624 H1625 L1628 M1629 I1655 | C1613-L1622 HydrophobicContact CB-CD2 4.36Å; G1618-L1622 WeakPolarHBondContact O-CB 3.36Å; G1618-L1622 PolarHBondContact O-N 3.35Å; Q1619-L1622 WeakPolarHBondContact O-CB 3.38Å; Q1619-L1622 PolarHBondContact O-N 3Å; L1622-K1624 PolarHBondContact O-N 3.07Å; L1622-H1625 CarbonylContact O-C 3.48Å; L1622-H1625 WeakPolarHBondContact O-CA 3.34Å; L1622-H1625 PolarHBondContact O-N 3.46Å; L1622-L1628 HydrophobicContact CD1-CB 4.03Å; L1622-L1628 HydrophobicContact CD1-CD2 3.99Å; L1622-L1628 HydrophobicContact CD1-CG 4.2Å; L1622-M1629 HydrophobicContact CD1-CE 4.47Å; L1622-M1629 HydrophobicContact CD2-CE 3.89Å; L1622-I1655 HydrophobicContact CD2-CG2 3.74Å |
| 1623 | L | 80 | Confident | 83 | Confident | 97 Ų | 97 | 45.1 Ų | 45.1 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22 | 173.9 | -73.3 | 173.7 | 0 | 0 | 0 | 113.9 | Q1619 Y1620 W1621 I1662 | Q1619-L1623 WeakPolarHBondContact O-CG 3.21Å; Q1619-L1623 PolarHBondContact O-N 3.28Å; Y1620-L1623 HydrophobicContact CD1-CD1 4.33Å; W1621-L1623 VanDerWaalsContact C-N 3.26Å; W1621-L1623 PolarHBondContact O-N 3.43Å; L1623-I1662 HydrophobicContact CD1-CD1 4.06Å; L1623-I1662 HydrophobicContact CD2-CG2 3.96Å; L1623-I1662 HydrophobicContact CG-CD1 4.35Å |
| 1624 | K | 79.8 | Confident | 82.9 | Confident | 133 Ų | 133 | 46.3 Ų | 46.3 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -21 | 171 | -54.7 | 179.5 | -175.2 | 175.1 | 0 | 112.9 | D1563 W1621 L1622 P1626 | D1563-K1624 IonicContact OD2-NZ 3.79Å; W1621-K1624 VanDerWaalsContact O-CB 3.3Å; W1621-K1624 WeakPolarHBondContact O-CB 3.42Å; W1621-K1624 PolarHBondContact O-N 2.94Å; L1622-K1624 PolarHBondContact O-N 3.07Å; K1624-P1626 VanDerWaalsContact C-CD 3.41Å; K1624-P1626 WeakPolarHBondContact O-CD 3.24Å |
| 1625 | H | 81.2 | Confident | 82.9 | Confident | 60 Ų | 60 | 45.2 Ų | 45.2 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | trans | -126.3 | 59.9 | -172.5 | -60.5 | -72.4 | 0 | 0 | 0 | 111.7 | W1621 L1622 E1627 L1628 | W1621-H1625 AromaticContact CD2-CD2 3.9Å; W1621-H1625 AromaticContact CE2-CD2 3.62Å; W1621-H1625 AromaticContact CE2-NE2 3.85Å; W1621-H1625 AromaticContact CZ2-CD2 3.78Å; W1621-H1625 AromaticContact CZ2-NE2 4Å; W1621-H1625 AromaticContact NE1-NE2 3.87Å; W1621-H1625 PolarHBondContact O-CD2 2.98Å; L1622-H1625 CarbonylContact O-C 3.48Å; L1622-H1625 WeakPolarHBondContact O-CA 3.34Å; L1622-H1625 PolarHBondContact O-N 3.46Å; H1625-E1627 PolarHBondContact O-N 3.1Å; H1625-L1628 WeakPolarHBondContact O-CB 3.43Å; H1625-L1628 PolarHBondContact O-N 3.29Å | ||
| 1626 | P | 76.6 | Confident | 82.9 | Confident | 75 Ų | 75 | 45.3 Ų | 45.3 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.2 | -176.6 | 25.3 | -35.6 | 0 | 0 | 0 | 113.5 | K1624 L1628 M1629 | K1624-P1626 VanDerWaalsContact C-CD 3.41Å; K1624-P1626 WeakPolarHBondContact O-CD 3.24Å; P1626-L1628 PolarHBondContact O-N 3.43Å; P1626-M1629 PolarHBondContact O-N 2.81Å |
| 1627 | E | 82.3 | Confident | 82.9 | Confident | 78 Ų | 78 | 44 Ų | 44 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.7 | -35.8 | 173 | -167.5 | -170.8 | 148.9 | 0 | 0 | 112.5 | R1576 H1625 M1629 T1630 L1631 | R1576-E1627 IonicContact CZ-OE1 2.69Å; R1576-E1627 VanDerWaalsContact CZ-OE1 3.25Å; R1576-E1627 IonicContact CZ-OE2 2.84Å; R1576-E1627 IonicContact NE-OE1 2.91Å; R1576-E1627 PolarHBondContact NE-OE1 3.41Å; R1576-E1627 IonicContact NE-OE2 3.78Å; R1576-E1627 IonicContact NH2-OE1 3.41Å; R1576-E1627 PolarHBondContact NH2-OE1 3.38Å; R1576-E1627 IonicContact NH2-OE2 3.79Å; R1576-E1627 PolarHBondContact NH2-OE2 3.45Å; H1625-E1627 PolarHBondContact O-N 3.1Å; E1627-M1629 PolarHBondContact O-N 3.44Å; E1627-T1630 CarbonylContact O-C 3.59Å; E1627-T1630 WeakPolarHBondContact O-CA 3.38Å; E1627-T1630 WeakPolarHBondContact O-CB 3.29Å; E1627-T1630 PolarHBondContact O-N 3.45Å; E1627-T1630 PolarHBondContact O-OG1 3.12Å; E1627-L1631 HydrophobicContact CG-CD1 4.45Å; E1627-L1631 HydrophobicContact CG-CG 4.33Å; E1627-L1631 WeakPolarHBondContact O-CG 3.48Å; E1627-L1631 PolarHBondContact O-N 3.41Å |
| 1628 | L | 85.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.5 | -36 | -179.2 | 179.7 | 56.8 | 0 | 0 | 0 | 112.3 | I1572 M1575 L1609 W1621 L1622 H1625 P1626 L1631 F1632 | I1572-L1628 HydrophobicContact CD1-CB 4.43Å; I1572-L1628 HydrophobicContact CD1-CD1 4.47Å; I1572-L1628 HydrophobicContact CD1-CD2 4.19Å; I1572-L1628 HydrophobicContact CG1-CD1 4.26Å; M1575-L1628 HydrophobicContact CE-CD1 3.82Å; L1609-L1628 HydrophobicContact CD1-CD1 4.25Å; L1609-L1628 HydrophobicContact CD2-CD2 4.29Å; W1621-L1628 HydrophobicContact CZ3-CD2 4.07Å; L1622-L1628 HydrophobicContact CD1-CB 4.03Å; L1622-L1628 HydrophobicContact CD1-CD2 3.99Å; L1622-L1628 HydrophobicContact CD1-CG 4.2Å; H1625-L1628 WeakPolarHBondContact O-CB 3.43Å; H1625-L1628 PolarHBondContact O-N 3.29Å; P1626-L1628 PolarHBondContact O-N 3.43Å; L1628-L1631 PolarHBondContact O-N 3.43Å; L1628-F1632 HydrophobicContact CD1-CD2 3.85Å; L1628-F1632 HydrophobicContact CD1-CE2 3.6Å; L1628-F1632 HydrophobicContact CD2-CE2 4.43Å; L1628-F1632 HydrophobicContact CG-CD2 4.04Å; L1628-F1632 HydrophobicContact CG-CE2 3.92Å; L1628-F1632 WeakPolarHBondContact O-CD2 3.4Å; L1628-F1632 PolarHBondContact O-N 2.91Å; L1628-F1632 VanDerWaalsContact O-N 3.08Å |
| 1629 | M | 82.3 | Confident | 82.5 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.4 | -41.1 | 173.9 | -168.9 | 56.3 | 50.7 | 0 | 0 | 111.4 | L1622 P1626 E1627 L1631 T1633 L1652 I1655 F1663 | L1622-M1629 HydrophobicContact CD1-CE 4.47Å; L1622-M1629 HydrophobicContact CD2-CE 3.89Å; P1626-M1629 PolarHBondContact O-N 2.81Å; E1627-M1629 PolarHBondContact O-N 3.44Å; M1629-L1631 VanDerWaalsContact C-N 3.34Å; M1629-L1631 PolarHBondContact O-N 3.16Å; M1629-T1633 WeakPolarHBondContact O-CB 3.26Å; M1629-T1633 PolarHBondContact O-N 3.11Å; M1629-T1633 PolarHBondContact O-OG1 3.22Å; M1629-T1633 VanDerWaalsContact O-OG1 3.1Å; M1629-L1652 HydrophobicContact SD-CD2 3.44Å; M1629-L1652 WeakPolarHBondContact SD-CD2 3.36Å; M1629-I1655 HydrophobicContact CE-CD1 4.39Å; M1629-I1655 HydrophobicContact CE-CG2 4.16Å; M1629-F1663 HydrophobicContact CE-CE1 3.91Å; M1629-F1663 HydrophobicContact CE-CZ 3.69Å; M1629-F1663 HydrophobicContact SD-CE1 3.96Å; M1629-F1663 HydrophobicContact SD-CZ 4.32Å |
| 1630 | T | 83.2 | Confident | 82.1 | Confident | 88 Ų | 88 | 45.5 Ų | 45.5 | 54% | 0.54 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.5 | -34.9 | 175.9 | 70.5 | 0 | 0 | 0 | 0 | 112.3 | E1627 S1634 | E1627-T1630 CarbonylContact O-C 3.59Å; E1627-T1630 WeakPolarHBondContact O-CA 3.38Å; E1627-T1630 WeakPolarHBondContact O-CB 3.29Å; E1627-T1630 PolarHBondContact O-N 3.45Å; E1627-T1630 PolarHBondContact O-OG1 3.12Å; T1630-S1634 VanDerWaalsContact O-CB 3.22Å; T1630-S1634 WeakPolarHBondContact O-CB 3.49Å; T1630-S1634 PolarHBondContact O-N 3.17Å; T1630-S1634 PolarHBondContact O-OG 3.35Å |
| 1631 | L | 85 | Confident | 82 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -53.5 | 174.7 | -68.2 | 174.2 | 0 | 0 | 0 | 111 | I1572 L1579 E1627 L1628 M1629 T1633 S1634 L1635 | I1572-L1631 HydrophobicContact CG2-CD1 4.21Å; L1579-L1631 HydrophobicContact CD2-CD2 3.73Å; E1627-L1631 HydrophobicContact CG-CD1 4.45Å; E1627-L1631 HydrophobicContact CG-CG 4.33Å; E1627-L1631 WeakPolarHBondContact O-CG 3.48Å; E1627-L1631 PolarHBondContact O-N 3.41Å; L1628-L1631 PolarHBondContact O-N 3.43Å; M1629-L1631 VanDerWaalsContact C-N 3.34Å; M1629-L1631 PolarHBondContact O-N 3.16Å; L1631-T1633 VanDerWaalsContact C-N 3.35Å; L1631-T1633 PolarHBondContact O-N 3.39Å; L1631-S1634 PolarHBondContact O-N 3.36Å; L1631-S1634 PolarHBondContact O-OG 3.09Å; L1631-L1635 WeakPolarHBondContact O-CG 3.23Å; L1631-L1635 PolarHBondContact O-N 3.45Å |
| 1632 | F | 88 | Confident | 81.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 177.1 | -83.6 | -65.4 | 0 | 0 | 0 | 112.5 | M1575 M1606 L1609 A1610 L1628 L1635 A1636 C1651 L1652 I1655 | M1575-F1632 HydrophobicContact CE-CE1 4.25Å; M1575-F1632 HydrophobicContact CE-CE2 4.23Å; M1575-F1632 HydrophobicContact CE-CZ 3.89Å; M1606-F1632 HydrophobicContact CB-CE1 4.03Å; M1606-F1632 HydrophobicContact CE-CD1 4.41Å; M1606-F1632 HydrophobicContact CE-CE1 4.29Å; M1606-F1632 HydrophobicContact CG-CE1 4.11Å; L1609-F1632 HydrophobicContact CB-CZ 4.37Å; A1610-F1632 HydrophobicContact CB-CZ 4.08Å; L1628-F1632 HydrophobicContact CD1-CD2 3.85Å; L1628-F1632 HydrophobicContact CD1-CE2 3.6Å; L1628-F1632 HydrophobicContact CD2-CE2 4.43Å; L1628-F1632 HydrophobicContact CG-CD2 4.04Å; L1628-F1632 HydrophobicContact CG-CE2 3.92Å; L1628-F1632 WeakPolarHBondContact O-CD2 3.4Å; L1628-F1632 PolarHBondContact O-N 2.91Å; L1628-F1632 VanDerWaalsContact O-N 3.08Å; F1632-L1635 PolarHBondContact O-N 3.4Å; F1632-A1636 WeakPolarHBondContact O-CB 3.32Å; F1632-A1636 PolarHBondContact O-N 2.97Å; F1632-C1651 HydrophobicContact CD1-CB 3.83Å; F1632-C1651 HydrophobicContact CE1-CB 3.46Å; F1632-C1651 VanDerWaalsContact CE1-CB 3.46Å; F1632-C1651 HydrophobicContact CZ-CB 4.1Å; F1632-L1652 HydrophobicContact CB-CD2 3.68Å; F1632-L1652 HydrophobicContact CB-CG 4Å; F1632-I1655 HydrophobicContact CD2-CD1 4.04Å; F1632-I1655 HydrophobicContact CE2-CD1 3.91Å |
| 1633 | T | 84.5 | Confident | 81.6 | Confident | 23 Ų | 23 | 41 Ų | 41 | 14% | 0.141 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -39.4 | 177.2 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | M1629 L1631 A1636 L1637 F1695 | M1629-T1633 WeakPolarHBondContact O-CB 3.26Å; M1629-T1633 PolarHBondContact O-N 3.11Å; M1629-T1633 PolarHBondContact O-OG1 3.22Å; M1629-T1633 VanDerWaalsContact O-OG1 3.1Å; L1631-T1633 VanDerWaalsContact C-N 3.35Å; L1631-T1633 PolarHBondContact O-N 3.39Å; T1633-A1636 PolarHBondContact O-N 3.37Å; T1633-L1637 HydrophobicContact CG2-CD1 4.23Å; T1633-L1637 WeakPolarHBondContact O-CG 3.41Å; T1633-L1637 PolarHBondContact O-N 3.11Å; T1633-L1637 VanDerWaalsContact O-N 3.16Å; T1633-F1695 HydrophobicContact CG2-CD1 4.47Å; T1633-F1695 HydrophobicContact CG2-CE1 3.5Å; T1633-F1695 VanDerWaalsContact CG2-CE1 3.5Å; T1633-F1695 HydrophobicContact CG2-CE2 4.4Å; T1633-F1695 HydrophobicContact CG2-CZ 3.45Å; T1633-F1695 VanDerWaalsContact CG2-CZ 3.45Å |
| 1634 | S | 83.4 | Confident | 81.9 | Confident | 26 Ų | 26 | 36.6 Ų | 36.6 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65 | -42 | 176.8 | 72.7 | 0 | 0 | 0 | 0 | 111.9 | T1630 L1631 H1638 | T1630-S1634 VanDerWaalsContact O-CB 3.22Å; T1630-S1634 WeakPolarHBondContact O-CB 3.49Å; T1630-S1634 PolarHBondContact O-N 3.17Å; T1630-S1634 PolarHBondContact O-OG 3.35Å; L1631-S1634 PolarHBondContact O-N 3.36Å; L1631-S1634 PolarHBondContact O-OG 3.09Å; S1634-H1638 WeakPolarHBondContact O-CB 3.35Å; S1634-H1638 PolarHBondContact O-N 3.38Å; S1634-H1638 PolarHBondContact O-ND1 2.89Å; S1634-H1638 VanDerWaalsContact O-ND1 3.1Å |
| 1635 | L | 85 | Confident | 82.2 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 174.4 | -73.8 | 168.7 | 0 | 0 | 0 | 111.6 | M1575 L1579 I1582 M1606 L1631 F1632 L1637 S1639 I1644 A1648 | M1575-L1635 HydrophobicContact SD-CD1 3.85Å; L1579-L1635 HydrophobicContact CD1-CD2 3.58Å; L1579-L1635 HydrophobicContact CD1-CG 3.78Å; I1582-L1635 HydrophobicContact CG2-CD2 4.17Å; M1606-L1635 HydrophobicContact CE-CD1 4.31Å; M1606-L1635 HydrophobicContact SD-CD1 4.38Å; L1631-L1635 WeakPolarHBondContact O-CG 3.23Å; L1631-L1635 PolarHBondContact O-N 3.45Å; F1632-L1635 PolarHBondContact O-N 3.4Å; L1635-L1637 PolarHBondContact O-N 3.45Å; L1635-S1639 WeakPolarHBondContact O-CB 3.44Å; L1635-S1639 PolarHBondContact O-N 2.74Å; L1635-S1639 VanDerWaalsContact O-N 3.14Å; L1635-S1639 PolarHBondContact O-OG 3.3Å; L1635-S1639 VanDerWaalsContact O-OG 3.11Å; L1635-I1644 HydrophobicContact CD2-CG2 4.3Å; L1635-A1648 HydrophobicContact CB-CB 3.96Å |
| 1636 | A | 84.5 | Confident | 82.4 | Confident | 10 Ų | 10 | 28.5 Ų | 28.5 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.1 | -34.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1632 T1633 R1645 A1648 L1652 | F1632-A1636 WeakPolarHBondContact O-CB 3.32Å; F1632-A1636 PolarHBondContact O-N 2.97Å; T1633-A1636 PolarHBondContact O-N 3.37Å; A1636-R1645 WeakPolarHBondContact O-CB 3.37Å; A1636-R1645 WeakPolarHBondContact O-CG 3.09Å; A1636-A1648 HydrophobicContact CB-CB 3.84Å; A1636-L1652 HydrophobicContact CB-CD1 4.06Å |
| 1637 | L | 81.4 | Confident | 83 | Confident | 33 Ų | 33 | 25.1 Ų | 25.1 | 17% | 0.173 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -89.9 | -41.4 | 179.7 | -68.7 | 178.6 | 0 | 0 | 0 | 114 | T1633 L1635 R1645 F1695 I1699 F1700 | T1633-L1637 HydrophobicContact CG2-CD1 4.23Å; T1633-L1637 WeakPolarHBondContact O-CG 3.41Å; T1633-L1637 PolarHBondContact O-N 3.11Å; T1633-L1637 VanDerWaalsContact O-N 3.16Å; L1635-L1637 PolarHBondContact O-N 3.45Å; L1637-R1645 PolarHBondContact O-NH1 3.47Å; L1637-R1645 VanDerWaalsContact O-NH1 3.16Å; L1637-F1695 HydrophobicContact CD1-CE1 3.89Å; L1637-F1695 HydrophobicContact CD1-CZ 4Å; L1637-F1695 HydrophobicContact CD2-CE1 4.44Å; L1637-F1695 HydrophobicContact CG-CE1 4.34Å; L1637-I1699 HydrophobicContact CD1-CD1 3.93Å; L1637-I1699 HydrophobicContact CD1-CG2 4.34Å; L1637-I1699 HydrophobicContact CD2-CB 4.12Å; L1637-I1699 HydrophobicContact CD2-CD1 4.15Å; L1637-I1699 HydrophobicContact CD2-CG2 3.83Å; L1637-F1700 HydrophobicContact CD2-CE2 4.33Å |
| 1638 | H | 80.1 | Confident | 83.3 | Confident | 103 Ų | 103 | 21.4 Ų | 21.4 | 48% | 0.477 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -113.6 | -14.9 | -162.3 | -54.5 | 91.1 | 0 | 0 | 0 | 115.4 | I1583 S1634 N1640 R1645 | I1583-H1638 HydrophobicContact CD1-CB 4.14Å; I1583-H1638 HydrophobicContact CG1-CB 4.29Å; S1634-H1638 WeakPolarHBondContact O-CB 3.35Å; S1634-H1638 PolarHBondContact O-N 3.38Å; S1634-H1638 PolarHBondContact O-ND1 2.89Å; S1634-H1638 VanDerWaalsContact O-ND1 3.1Å; H1638-N1640 PolarHBondContact O-N 3.21Å; H1638-R1645 PolarHBondContact O-NH2 3.35Å |
| 1639 | S | 78.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -62.5 | 134.4 | -171.6 | 69.9 | 0 | 0 | 0 | 0 | 112.7 | L1635 S1641 R1645 | L1635-S1639 WeakPolarHBondContact O-CB 3.44Å; L1635-S1639 PolarHBondContact O-N 2.74Å; L1635-S1639 VanDerWaalsContact O-N 3.14Å; L1635-S1639 PolarHBondContact O-OG 3.3Å; L1635-S1639 VanDerWaalsContact O-OG 3.11Å; S1639-S1641 PolarHBondContact O-N 3.46Å; S1639-S1641 VanDerWaalsContact O-N 3.11Å; S1639-S1641 PolarHBondContact OG-O 3.15Å; S1639-R1645 PolarHBondContact O-NE 2.95Å; S1639-R1645 PolarHBondContact O-NH2 3.02Å; S1639-R1645 VanDerWaalsContact O-NH2 3.16Å; S1639-R1645 WeakPolarHBondContact OG-CG 3.43Å; S1639-R1645 PolarHBondContact OG-N 2.78Å | ||
| 1640 | N | 72.9 | Confident | 83.5 | Confident | 27 Ų | 27 | 22.2 Ų | 22.2 | 14% | 0.144 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -66.3 | -12.1 | -178.4 | -78.6 | -3.3 | 0 | 0 | 0 | 115 | R503 S504 I1582 D1585 H1638 | R503-N1640 WeakPolarHBondContact CA-O 3.27Å; S504-N1640 PolarHBondContact N-O 2.92Å; S504-N1640 VanDerWaalsContact OG-CA 3.3Å; S504-N1640 WeakPolarHBondContact OG-CA 3.44Å; S504-N1640 WeakPolarHBondContact OG-CB 3.46Å; S504-N1640 PolarHBondContact OG-O 3.25Å; S504-N1640 PolarHBondContact OG-OD1 3.15Å; I1582-N1640 PolarHBondContact O-N 2.96Å; I1582-N1640 VanDerWaalsContact O-N 3.08Å; D1585-N1640 PolarHBondContact OD1-ND2 3.04Å; D1585-N1640 PolarHBondContact OD2-ND2 2.96Å; H1638-N1640 PolarHBondContact O-N 3.21Å |
| 1641 | S | 78.6 | Confident | 83.8 | Confident | 15 Ų | 15 | 18 Ų | 18 | 11% | 0.105 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -101.7 | 121.4 | 172.1 | -178.1 | 0 | 0 | 0 | 0 | 112 | N502 S1639 N1643 I1644 R1645 | N502-S1641 PolarHBondContact ND2-OG 3.24Å; N502-S1641 VanDerWaalsContact ND2-OG 3.15Å; N502-S1641 CarbonylContact O-C 3.52Å; N502-S1641 VanDerWaalsContact O-CA 3.26Å; N502-S1641 WeakPolarHBondContact O-CA 3.48Å; N502-S1641 PolarHBondContact OD1-OG 3.42Å; S1639-S1641 PolarHBondContact O-N 3.46Å; S1639-S1641 VanDerWaalsContact O-N 3.11Å; S1639-S1641 PolarHBondContact OG-O 3.15Å; S1641-N1643 VanDerWaalsContact C-N 3.32Å; S1641-N1643 PolarHBondContact O-N 3.36Å; S1641-I1644 WeakPolarHBondContact O-CB 3.47Å; S1641-I1644 PolarHBondContact O-N 2.88Å; S1641-R1645 PolarHBondContact O-N 2.89Å |
| 1642 | M | 79.4 | Confident | 83.8 | Confident | 13 Ų | 13 | 18.2 Ų | 18.2 | 6% | 0.064 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.6 | -35.7 | -178.1 | -63.8 | -57.3 | -172.8 | 0 | 0 | 112.7 | N502 P558 F561 I1644 R1645 A1646 | N502-M1642 PolarHBondContact O-N 2.85Å; N502-M1642 PolarHBondContact OD1-N 3.34Å; P558-M1642 HydrophobicContact CB-CB 4.23Å; P558-M1642 HydrophobicContact CG-CB 4.31Å; F561-M1642 HydrophobicContact CB-CB 4.5Å; F561-M1642 HydrophobicContact CB-CE 4.25Å; F561-M1642 HydrophobicContact CB-CG 4.23Å; F561-M1642 HydrophobicContact CB-SD 3.56Å; F561-M1642 VanDerWaalsContact CB-SD 3.56Å; F561-M1642 HydrophobicContact CD2-CB 4.06Å; F561-M1642 HydrophobicContact CD2-SD 4.3Å; F561-M1642 HydrophobicContact CG-SD 4.09Å; M1642-I1644 PolarHBondContact O-N 2.71Å; M1642-R1645 WeakPolarHBondContact O-CB 3.5Å; M1642-R1645 PolarHBondContact O-N 3.46Å; M1642-A1646 PolarHBondContact O-N 3.15Å; M1642-A1646 VanDerWaalsContact O-N 3.09Å |
| 1643 | N | 82.4 | Confident | 83.5 | Confident | 50 Ų | 50 | 19.4 Ų | 19.4 | 27% | 0.267 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -64.3 | -25.4 | 173.8 | -78.4 | -27.3 | 0 | 0 | 0 | 113.2 | N502 S1641 V1647 | N502-N1643 VanDerWaalsContact OD1-CB 3.3Å; N502-N1643 WeakPolarHBondContact OD1-CB 3.47Å; N502-N1643 PolarHBondContact OD1-N 3.1Å; N502-N1643 PolarHBondContact OD1-ND2 3.42Å; N502-N1643 VanDerWaalsContact OD1-ND2 3.12Å; S1641-N1643 VanDerWaalsContact C-N 3.32Å; S1641-N1643 PolarHBondContact O-N 3.36Å; N1643-V1647 WeakPolarHBondContact O-CG2 3.13Å; N1643-V1647 PolarHBondContact O-N 2.94Å |
| 1644 | I | 86.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.015 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -78.4 | -39.5 | 175.4 | -57.6 | 174.8 | 0 | 0 | 0 | 109.8 | I1582 L1599 L1602 M1606 L1635 S1641 M1642 A1646 V1647 A1648 | I1582-I1644 HydrophobicContact CD1-CD1 3.8Å; L1599-I1644 HydrophobicContact CD2-CD1 4Å; L1602-I1644 HydrophobicContact CD2-CD1 4.08Å; L1602-I1644 HydrophobicContact CD2-CG2 4.21Å; M1606-I1644 HydrophobicContact CE-CG2 4.33Å; M1606-I1644 HydrophobicContact SD-CG2 4.3Å; L1635-I1644 HydrophobicContact CD2-CG2 4.3Å; S1641-I1644 WeakPolarHBondContact O-CB 3.47Å; S1641-I1644 PolarHBondContact O-N 2.88Å; M1642-I1644 PolarHBondContact O-N 2.71Å; I1644-A1646 VanDerWaalsContact C-N 3.3Å; I1644-A1646 PolarHBondContact O-N 3.03Å; I1644-V1647 PolarHBondContact O-N 3.4Å; I1644-A1648 VanDerWaalsContact O-CB 3.31Å; I1644-A1648 WeakPolarHBondContact O-CB 3.34Å; I1644-A1648 PolarHBondContact O-N 3.25Å |
| 1645 | R | 85.2 | Confident | 83.4 | Confident | 24 Ų | 24 | 17.5 Ų | 17.5 | 9% | 0.091 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -55.6 | -45.7 | 172.1 | -60.3 | -169.3 | -173.3 | -166.8 | -1.9 | 111.6 | F561 A1636 L1637 H1638 S1639 S1641 M1642 A1648 W1649 | F561-R1645 HydrophobicContact CE2-CB 3.92Å; F561-R1645 HydrophobicContact CZ-CB 3.91Å; A1636-R1645 WeakPolarHBondContact O-CB 3.37Å; A1636-R1645 WeakPolarHBondContact O-CG 3.09Å; L1637-R1645 PolarHBondContact O-NH1 3.47Å; L1637-R1645 VanDerWaalsContact O-NH1 3.16Å; H1638-R1645 PolarHBondContact O-NH2 3.35Å; S1639-R1645 PolarHBondContact O-NE 2.95Å; S1639-R1645 PolarHBondContact O-NH2 3.02Å; S1639-R1645 VanDerWaalsContact O-NH2 3.16Å; S1639-R1645 WeakPolarHBondContact OG-CG 3.43Å; S1639-R1645 PolarHBondContact OG-N 2.78Å; S1641-R1645 PolarHBondContact O-N 2.89Å; M1642-R1645 WeakPolarHBondContact O-CB 3.5Å; M1642-R1645 PolarHBondContact O-N 3.46Å; R1645-A1648 PolarHBondContact O-N 3.21Å; R1645-W1649 WeakPolarHBondContact O-CB 3.32Å; R1645-W1649 PolarHBondContact O-N 3.22Å |
| 1646 | A | 85.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.9 | -53.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W557 F561 M1642 I1644 A1648 W1649 I1650 | W557-A1646 HydrophobicContact CB-CB 3.92Å; W557-A1646 HydrophobicContact CD2-CB 3.51Å; W557-A1646 HydrophobicContact CE3-CB 3.91Å; W557-A1646 HydrophobicContact CG-CB 3.52Å; F561-A1646 HydrophobicContact CE2-CB 4.07Å; M1642-A1646 PolarHBondContact O-N 3.15Å; M1642-A1646 VanDerWaalsContact O-N 3.09Å; I1644-A1646 VanDerWaalsContact C-N 3.3Å; I1644-A1646 PolarHBondContact O-N 3.03Å; A1646-A1648 VanDerWaalsContact C-N 3.34Å; A1646-A1648 PolarHBondContact O-N 2.89Å; A1646-W1649 PolarHBondContact O-N 3.04Å; A1646-I1650 VanDerWaalsContact O-CG1 3.3Å; A1646-I1650 WeakPolarHBondContact O-CG1 3.37Å; A1646-I1650 PolarHBondContact O-N 3.38Å |
| 1647 | V | 88.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.024 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | -179 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | K1603 M1606 W1607 N1643 I1644 I1650 C1651 | K1603-V1647 HydrophobicContact CD-CG2 4.37Å; K1603-V1647 HydrophobicContact CG-CG2 4.47Å; M1606-V1647 HydrophobicContact CE-CB 4.33Å; M1606-V1647 HydrophobicContact CE-CG1 4.02Å; W1607-V1647 HydrophobicContact CZ2-CG1 4.26Å; N1643-V1647 WeakPolarHBondContact O-CG2 3.13Å; N1643-V1647 PolarHBondContact O-N 2.94Å; I1644-V1647 PolarHBondContact O-N 3.4Å; V1647-I1650 PolarHBondContact O-N 2.81Å; V1647-C1651 WeakPolarHBondContact O-CB 3.32Å; V1647-C1651 PolarHBondContact O-N 2.83Å; V1647-C1651 PolarHBondContact O-SG 3.49Å |
| 1648 | A | 88.8 | Confident | 81 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1606 L1635 A1636 I1644 R1645 A1646 C1651 L1652 | M1606-A1648 VanDerWaalsContact CE-CA 3.44Å; M1606-A1648 HydrophobicContact CE-CB 3.56Å; L1635-A1648 HydrophobicContact CB-CB 3.96Å; A1636-A1648 HydrophobicContact CB-CB 3.84Å; I1644-A1648 VanDerWaalsContact O-CB 3.31Å; I1644-A1648 WeakPolarHBondContact O-CB 3.34Å; I1644-A1648 PolarHBondContact O-N 3.25Å; R1645-A1648 PolarHBondContact O-N 3.21Å; A1646-A1648 VanDerWaalsContact C-N 3.34Å; A1646-A1648 PolarHBondContact O-N 2.89Å; A1648-C1651 WeakPolarHBondContact O-CB 3.45Å; A1648-C1651 PolarHBondContact O-N 2.88Å; A1648-L1652 WeakPolarHBondContact O-CG 3.45Å; A1648-L1652 PolarHBondContact O-N 3.24Å |
| 1649 | W | 85.9 | Confident | 79.6 | Confident | 37 Ų | 37 | 18.5 Ų | 18.5 | 14% | 0.14 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | 177.1 | 179.2 | 76.1 | 0 | 0 | 0 | 112.7 | N709 I713 R1645 A1646 C1651 L1652 N1653 I1696 | N709-W1649 HydrophobicContact CB-CH2 4.25Å; N709-W1649 HydrophobicContact CB-CZ3 3.92Å; N709-W1649 WeakPolarHBondContact O-CH2 3.2Å; I713-W1649 HydrophobicContact CD1-CD2 3.76Å; I713-W1649 HydrophobicContact CD1-CE3 3.46Å; I713-W1649 VanDerWaalsContact CD1-CE3 3.46Å; I713-W1649 HydrophobicContact CD1-CH2 3.58Å; I713-W1649 HydrophobicContact CD1-CZ2 3.86Å; I713-W1649 HydrophobicContact CD1-CZ3 3.36Å; I713-W1649 HydrophobicContact CG1-CE3 4.38Å; I713-W1649 HydrophobicContact CG1-CH2 3.56Å; I713-W1649 HydrophobicContact CG1-CZ2 3.83Å; I713-W1649 HydrophobicContact CG1-CZ3 3.86Å; R1645-W1649 WeakPolarHBondContact O-CB 3.32Å; R1645-W1649 PolarHBondContact O-N 3.22Å; A1646-W1649 PolarHBondContact O-N 3.04Å; W1649-C1651 VanDerWaalsContact C-N 3.29Å; W1649-C1651 PolarHBondContact O-N 2.78Å; W1649-L1652 WeakPolarHBondContact O-CB 3.38Å; W1649-L1652 PolarHBondContact O-N 3.28Å; W1649-N1653 VanDerWaalsContact CE2-ND2 3.31Å; W1649-N1653 WeakPolarHBondContact CH2-ND2 3.29Å; W1649-N1653 WeakPolarHBondContact CZ2-ND2 3.42Å; W1649-N1653 PolarHBondContact O-N 2.98Å; W1649-I1696 HydrophobicContact CZ2-CD1 4.26Å |
| 1650 | I | 87 | Confident | 77.8 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65 | -35.9 | 174.8 | -60.9 | 168.7 | 0 | 0 | 0 | 110.8 | W557 L706 F1439 W1607 A1646 V1647 N1653 L1654 | W557-I1650 HydrophobicContact CH2-CD1 4.18Å; W557-I1650 HydrophobicContact CZ2-CD1 3.77Å; L706-I1650 HydrophobicContact CD2-CD1 4.47Å; L706-I1650 HydrophobicContact CD2-CG2 3.63Å; F1439-I1650 HydrophobicContact CE1-CD1 4.12Å; F1439-I1650 HydrophobicContact CZ-CD1 3.73Å; W1607-I1650 HydrophobicContact CH2-CB 4.41Å; W1607-I1650 HydrophobicContact CH2-CG2 3.71Å; W1607-I1650 HydrophobicContact CZ3-CG2 4.18Å; A1646-I1650 VanDerWaalsContact O-CG1 3.3Å; A1646-I1650 WeakPolarHBondContact O-CG1 3.37Å; A1646-I1650 PolarHBondContact O-N 3.38Å; V1647-I1650 PolarHBondContact O-N 2.81Å; I1650-N1653 PolarHBondContact O-N 3.45Å; I1650-L1654 WeakPolarHBondContact O-CB 3.1Å; I1650-L1654 PolarHBondContact O-N 2.91Å |
| 1651 | C | 88.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 172.5 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | A1610 F1632 V1647 A1648 W1649 L1654 I1655 | A1610-C1651 HydrophobicContact CB-CB 3.55Å; F1632-C1651 HydrophobicContact CD1-CB 3.83Å; F1632-C1651 HydrophobicContact CE1-CB 3.46Å; F1632-C1651 VanDerWaalsContact CE1-CB 3.46Å; F1632-C1651 HydrophobicContact CZ-CB 4.1Å; V1647-C1651 WeakPolarHBondContact O-CB 3.32Å; V1647-C1651 PolarHBondContact O-N 2.83Å; V1647-C1651 PolarHBondContact O-SG 3.49Å; A1648-C1651 WeakPolarHBondContact O-CB 3.45Å; A1648-C1651 PolarHBondContact O-N 2.88Å; W1649-C1651 VanDerWaalsContact C-N 3.29Å; W1649-C1651 PolarHBondContact O-N 2.78Å; C1651-L1654 WeakPolarHBondContact O-CB 3.28Å; C1651-L1654 PolarHBondContact O-N 2.86Å; C1651-I1655 VanDerWaalsContact O-CG1 3.27Å; C1651-I1655 WeakPolarHBondContact O-CG1 3.48Å; C1651-I1655 PolarHBondContact O-N 3.39Å; C1651-I1655 VanDerWaalsContact O-N 3.11Å |
| 1652 | L | 85 | Confident | 74.5 | Confident | 12 Ų | 12 | 29.2 Ų | 29.2 | 6% | 0.063 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.4 | -72.8 | 167.5 | 0 | 0 | 0 | 111.6 | M1629 F1632 A1636 A1648 W1649 L1654 I1655 A1656 | M1629-L1652 HydrophobicContact SD-CD2 3.44Å; M1629-L1652 WeakPolarHBondContact SD-CD2 3.36Å; F1632-L1652 HydrophobicContact CB-CD2 3.68Å; F1632-L1652 HydrophobicContact CB-CG 4Å; A1636-L1652 HydrophobicContact CB-CD1 4.06Å; A1648-L1652 WeakPolarHBondContact O-CG 3.45Å; A1648-L1652 PolarHBondContact O-N 3.24Å; W1649-L1652 WeakPolarHBondContact O-CB 3.38Å; W1649-L1652 PolarHBondContact O-N 3.28Å; L1652-L1654 VanDerWaalsContact C-N 3.29Å; L1652-L1654 PolarHBondContact O-N 3.35Å; L1652-I1655 PolarHBondContact O-N 3.37Å; L1652-A1656 PolarHBondContact O-N 3.21Å; L1652-A1656 VanDerWaalsContact O-N 3.14Å |
| 1653 | N | 81.7 | Confident | 72.7 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 13% | 0.134 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.5 | -38.9 | 176.6 | -66.8 | -10.5 | 0 | 0 | 0 | 111.9 | I704 N709 W1649 I1650 A1656 T1657 | I704-N1653 HydrophobicContact CD1-CB 4.32Å; N709-N1653 PolarHBondContact OD1-ND2 3.43Å; W1649-N1653 VanDerWaalsContact CE2-ND2 3.31Å; W1649-N1653 WeakPolarHBondContact CH2-ND2 3.29Å; W1649-N1653 WeakPolarHBondContact CZ2-ND2 3.42Å; W1649-N1653 PolarHBondContact O-N 2.98Å; I1650-N1653 PolarHBondContact O-N 3.45Å; N1653-A1656 PolarHBondContact O-N 3.44Å; N1653-T1657 PolarHBondContact O-N 3.48Å |
| 1654 | L | 83.4 | Confident | 70.5 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 176.7 | -179.2 | 62.1 | 0 | 0 | 0 | 112.5 | I704 L1544 A1610 H1611 S1614 I1650 C1651 L1652 A1656 T1657 | I704-L1654 VanDerWaalsContact CD1-CA 3.49Å; I704-L1654 HydrophobicContact CD1-CB 4.06Å; I704-L1654 HydrophobicContact CD1-CD1 4.11Å; I704-L1654 HydrophobicContact CG1-CD1 4.37Å; L1544-L1654 HydrophobicContact CD2-CD1 3.97Å; L1544-L1654 HydrophobicContact CD2-CD2 3.9Å; L1544-L1654 HydrophobicContact CD2-CG 4.5Å; A1610-L1654 HydrophobicContact CB-CD2 4.01Å; H1611-L1654 HydrophobicContact CB-CD2 4.48Å; S1614-L1654 WeakPolarHBondContact CB-O 3.46Å; I1650-L1654 WeakPolarHBondContact O-CB 3.1Å; I1650-L1654 PolarHBondContact O-N 2.91Å; C1651-L1654 WeakPolarHBondContact O-CB 3.28Å; C1651-L1654 PolarHBondContact O-N 2.86Å; L1652-L1654 VanDerWaalsContact C-N 3.29Å; L1652-L1654 PolarHBondContact O-N 3.35Å; L1654-A1656 PolarHBondContact O-N 3.4Å; L1654-T1657 PolarHBondContact O-N 3.17Å; L1654-T1657 PolarHBondContact O-OG1 2.95Å |
| 1655 | I | 82.3 | Confident | 67.9 | Low | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -30.1 | 178.9 | -57.3 | 163.5 | 0 | 0 | 0 | 111 | A1610 C1613 Q1619 L1622 M1629 F1632 C1651 L1652 T1657 F1663 | A1610-I1655 HydrophobicContact CB-CD1 4.29Å; A1610-I1655 HydrophobicContact CB-CG1 4.22Å; C1613-I1655 HydrophobicContact CB-CD1 4.25Å; C1613-I1655 HydrophobicContact CB-CG1 3.91Å; C1613-I1655 HydrophobicContact CB-CG2 3.96Å; Q1619-I1655 PolarHBondContact NE2-O 3.41Å; L1622-I1655 HydrophobicContact CD2-CG2 3.74Å; M1629-I1655 HydrophobicContact CE-CD1 4.39Å; M1629-I1655 HydrophobicContact CE-CG2 4.16Å; F1632-I1655 HydrophobicContact CD2-CD1 4.04Å; F1632-I1655 HydrophobicContact CE2-CD1 3.91Å; C1651-I1655 VanDerWaalsContact O-CG1 3.27Å; C1651-I1655 WeakPolarHBondContact O-CG1 3.48Å; C1651-I1655 PolarHBondContact O-N 3.39Å; C1651-I1655 VanDerWaalsContact O-N 3.11Å; L1652-I1655 PolarHBondContact O-N 3.37Å; I1655-T1657 VanDerWaalsContact C-N 3.35Å; I1655-T1657 PolarHBondContact O-N 2.85Å; I1655-F1663 HydrophobicContact CB-CZ 4.18Å; I1655-F1663 HydrophobicContact CG2-CE2 3.92Å; I1655-F1663 HydrophobicContact CG2-CZ 3.75Å; I1655-F1663 WeakPolarHBondContact O-CE2 3.23Å |
| 1656 | A | 74.2 | Confident | 65.4 | Low | 11 Ų | 11 | 49.9 Ų | 49.9 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.8 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1652 N1653 L1654 F1663 | L1652-A1656 PolarHBondContact O-N 3.21Å; L1652-A1656 VanDerWaalsContact O-N 3.14Å; N1653-A1656 PolarHBondContact O-N 3.44Å; L1654-A1656 PolarHBondContact O-N 3.4Å; A1656-F1663 HydrophobicContact CB-CD2 4.12Å; A1656-F1663 HydrophobicContact CB-CE1 4.48Å; A1656-F1663 HydrophobicContact CB-CE2 3.98Å; A1656-F1663 HydrophobicContact CB-CG 4.43Å; A1656-F1663 HydrophobicContact CB-CZ 4.15Å |
| 1657 | T | 67.7 | Low | 63 | Low | 46 Ų | 46 | 52.5 Ų | 52.5 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -23.9 | 179.7 | 53.7 | 0 | 0 | 0 | 0 | 114.9 | I704 N1653 L1654 I1655 | I704-T1657 HydrophobicContact CD1-CG2 3.75Å; I704-T1657 HydrophobicContact CG1-CG2 3.77Å; N1653-T1657 PolarHBondContact O-N 3.48Å; L1654-T1657 PolarHBondContact O-N 3.17Å; L1654-T1657 PolarHBondContact O-OG1 2.95Å; I1655-T1657 VanDerWaalsContact C-N 3.35Å; I1655-T1657 PolarHBondContact O-N 2.85Å |
| 1658 | S | 59.2 | Low | 60.3 | Low | 22 Ų | 22 | 53.1 Ų | 53.1 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -78.8 | 130.3 | -176.7 | -4.8 | 0 | 0 | 0 | 0 | 111.5 | S1614 Q1619 N1660 | S1614-S1658 PolarHBondContact O-OG 3.23Å; Q1619-S1658 VanDerWaalsContact NE2-CB 3.33Å; Q1619-S1658 PolarHBondContact NE2-OG 3.46Å; Q1619-S1658 VanDerWaalsContact NE2-OG 3.13Å; S1658-N1660 PolarHBondContact O-N 2.98Å |
| 1659 | S | 50.5 | Low | 57.6 | Low | 91 Ų | 91 | 56.8 Ų | 56.8 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -68.7 | 15.5 | -162.8 | 55.4 | 0 | 0 | 0 | 0 | 118.1 | ||
| 1660 | N | 41 | Very low | 55 | Low | 65 Ų | 65 | 56 Ų | 56 | 35% | 0.348 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -85.1 | 141.9 | 175.2 | -64.4 | -50 | 0 | 0 | 0 | 111.1 | Q1619 S1658 I1662 | Q1619-N1660 PolarHBondContact OE1-ND2 3.35Å; S1658-N1660 PolarHBondContact O-N 2.98Å; N1660-I1662 HydrophobicContact CB-CD1 4.01Å; N1660-I1662 HydrophobicContact CB-CG1 4.18Å; N1660-I1662 PolarHBondContact O-N 3.31Å |
| 1661 | Q | 41.3 | Very low | 52.4 | Low | 160 Ų | 160 | 59.3 Ų | 59.3 | 75% | 0.748 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -68.2 | 4.8 | -171.7 | -62.8 | 176.3 | -13.9 | 0 | 0 | 115.5 | F1663 R1664 | Q1661-F1663 VanDerWaalsContact C-N 3.26Å; Q1661-F1663 PolarHBondContact O-N 2.79Å; Q1661-F1663 VanDerWaalsContact O-N 3.15Å; Q1661-R1664 WeakPolarHBondContact O-CB 2.94Å; Q1661-R1664 PolarHBondContact O-N 2.73Å |
| 1662 | I | 41.2 | Very low | 49.7 | Very low | 43 Ų | 43 | 64.1 Ų | 64.1 | 22% | 0.221 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -54.8 | -38.1 | -169.8 | -63.4 | 167 | 0 | 0 | 0 | 112.3 | Q1619 L1623 N1660 R1664 Q1665 | Q1619-I1662 HydrophobicContact CB-CD1 4.1Å; L1623-I1662 HydrophobicContact CD1-CD1 4.06Å; L1623-I1662 HydrophobicContact CD2-CG2 3.96Å; L1623-I1662 HydrophobicContact CG-CD1 4.35Å; N1660-I1662 HydrophobicContact CB-CD1 4.01Å; N1660-I1662 HydrophobicContact CB-CG1 4.18Å; N1660-I1662 PolarHBondContact O-N 3.31Å; I1662-R1664 VanDerWaalsContact C-N 3.29Å; I1662-R1664 PolarHBondContact O-N 3.14Å; I1662-Q1665 PolarHBondContact O-N 3.43Å |
| 1663 | F | 41.7 | Very low | 47.1 | Very low | 26 Ų | 26 | 66 Ų | 66 | 11% | 0.114 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -68.6 | -19.9 | -179 | -85.9 | -79 | 0 | 0 | 0 | 115.1 | M1629 I1655 A1656 Q1661 Q1665 H1666 N1667 C1668 | M1629-F1663 HydrophobicContact CE-CE1 3.91Å; M1629-F1663 HydrophobicContact CE-CZ 3.69Å; M1629-F1663 HydrophobicContact SD-CE1 3.96Å; M1629-F1663 HydrophobicContact SD-CZ 4.32Å; I1655-F1663 HydrophobicContact CB-CZ 4.18Å; I1655-F1663 HydrophobicContact CG2-CE2 3.92Å; I1655-F1663 HydrophobicContact CG2-CZ 3.75Å; I1655-F1663 WeakPolarHBondContact O-CE2 3.23Å; A1656-F1663 HydrophobicContact CB-CD2 4.12Å; A1656-F1663 HydrophobicContact CB-CE1 4.48Å; A1656-F1663 HydrophobicContact CB-CE2 3.98Å; A1656-F1663 HydrophobicContact CB-CG 4.43Å; A1656-F1663 HydrophobicContact CB-CZ 4.15Å; Q1661-F1663 VanDerWaalsContact C-N 3.26Å; Q1661-F1663 PolarHBondContact O-N 2.79Å; Q1661-F1663 VanDerWaalsContact O-N 3.15Å; F1663-Q1665 PolarHBondContact O-N 2.91Å; F1663-Q1665 VanDerWaalsContact O-N 3.13Å; F1663-H1666 PolarHBondContact O-N 3.01Å; F1663-H1666 VanDerWaalsContact O-N 3.08Å; F1663-N1667 PolarHBondContact O-N 3.43Å; F1663-C1668 HydrophobicContact CD1-CB 3.84Å; F1663-C1668 HydrophobicContact CE1-CB 4.03Å |
| 1664 | R | 35.2 | Very low | 44.6 | Very low | 220 Ų | 220 | 68.4 Ų | 68.4 | 83% | 0.83 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -67.3 | -9 | 175.2 | -76.8 | -173.4 | 168.7 | -176.7 | -5.1 | 114 | Q1661 I1662 | Q1661-R1664 WeakPolarHBondContact O-CB 2.94Å; Q1661-R1664 PolarHBondContact O-N 2.73Å; I1662-R1664 VanDerWaalsContact C-N 3.29Å; I1662-R1664 PolarHBondContact O-N 3.14Å |
| 1665 | Q | 32.6 | Very low | 42.2 | Very low | 168 Ų | 168 | 71.8 Ų | 71.8 | 79% | 0.785 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -104.9 | -5.4 | 173 | -68.8 | -175.7 | -31.8 | 0 | 0 | 113.8 | I1662 F1663 | I1662-Q1665 PolarHBondContact O-N 3.43Å; F1663-Q1665 PolarHBondContact O-N 2.91Å; F1663-Q1665 VanDerWaalsContact O-N 3.13Å |
| 1666 | H | 31.5 | Very low | 39.8 | Very low | 110 Ų | 110 | 81 Ų | 81 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -128.1 | 20.7 | -177.6 | -79.5 | -64.7 | 0 | 0 | 0 | 113.9 | F1663 C1668 | F1663-H1666 PolarHBondContact O-N 3.01Å; F1663-H1666 VanDerWaalsContact O-N 3.08Å; H1666-C1668 PolarHBondContact O-N 2.99Å |
| 1667 | N | 36.2 | Very low | 37.6 | Very low | 55 Ų | 55 | 84.5 Ų | 84.5 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | trans | 66 | -5.6 | 160.4 | -54.2 | -21.5 | 0 | 0 | 0 | 118.3 | F1663 W1693 F1695 | F1663-N1667 PolarHBondContact O-N 3.43Å; N1667-W1693 HydrophobicContact CB-CB 3.83Å; N1667-W1693 WeakPolarHBondContact ND2-CB 3.39Å; N1667-W1693 VanDerWaalsContact ND2-CD2 3.3Å; N1667-W1693 VanDerWaalsContact ND2-CE3 3.3Å; N1667-F1695 WeakPolarHBondContact O-CB 3.35Å; N1667-F1695 PolarHBondContact O-N 3.39Å | ||
| 1668 | C | 31.9 | Very low | 35.6 | Very low | 17 Ų | 17 | 86.8 Ų | 86.8 | 12% | 0.115 | 44% | 0.438 | C | S | . | . | B | Isolated β-bridge | trans | -86.1 | 113.1 | 172.8 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | F1663 H1666 G1670 F1695 | F1663-C1668 HydrophobicContact CD1-CB 3.84Å; F1663-C1668 HydrophobicContact CE1-CB 4.03Å; H1666-C1668 PolarHBondContact O-N 2.99Å; C1668-G1670 PolarHBondContact O-N 2.81Å; C1668-F1695 HydrophobicContact CB-CB 4.3Å |
| 1669 | L | 31.9 | Very low | 34.3 | Very low | 76 Ų | 76 | 91.6 Ų | 91.6 | 40% | 0.398 | 46% | 0.456 | S | S | . | . | trans | -98.3 | 76.6 | -173.6 | -146.3 | 169.8 | 0 | 0 | 0 | 110.7 | P758 | P758-L1669 HydrophobicContact CB-CD2 4.12Å; P758-L1669 HydrophobicContact CG-CD2 4.19Å | ||
| 1670 | G | 31.2 | Very low | 33 | Very low | 20 Ų | 20 | 95.7 Ų | 95.7 | 21% | 0.206 | 47% | 0.465 | C | S | . | . | trans | -71.4 | 147.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1668 | C1668-G1670 PolarHBondContact O-N 2.81Š| ||
| 1671 | M | 32.6 | Very low | 32.3 | Very low | 71 Ų | 71 | 99.4 Ų | 99.4 | 35% | 0.35 | 48% | 0.484 | S | S | . | . | trans | -78.4 | 124.2 | 174.9 | -90.8 | -170.5 | 70.8 | 0 | 0 | 112 | S755 L756 L757 Q1673 | S755-M1671 WeakPolarHBondContact O-CE 3.5Å; L756-M1671 VanDerWaalsContact O-SD 3.4Å; L757-M1671 PolarHBondContact N-SD 3.21Å; L757-M1671 VanDerWaalsContact N-SD 3.43Å; M1671-Q1673 VanDerWaalsContact C-N 3.28Å; M1671-Q1673 PolarHBondContact O-N 3.28Å | ||
| 1672 | L | 30.9 | Very low | 31.5 | Very low | 100 Ų | 100 | 99.8 Ų | 99.8 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | trans | -71.5 | 82.9 | 165 | -77.4 | 165.8 | 0 | 0 | 0 | 109.8 | N1674 | L1672-N1674 PolarHBondContact O-N 3.38Š| ||
| 1673 | Q | 32.1 | Very low | 30.7 | Very low | 52 Ų | 52 | 105.1 Ų | 105.1 | 24% | 0.243 | 52% | 0.52 | C | S | . | . | trans | -74.9 | 59.2 | 173.7 | -166.7 | 158.3 | 37.6 | 0 | 0 | 111.3 | M1671 | M1671-Q1673 VanDerWaalsContact C-N 3.28Å; M1671-Q1673 PolarHBondContact O-N 3.28Å | ||
| 1674 | N | 28 | Very low | 29.8 | Very low | 75 Ų | 75 | 111 Ų | 111 | 40% | 0.401 | 55% | 0.551 | S | S | . | * | trans | -106.3 | 82.7 | 168 | -91.4 | -44.9 | 0 | 0 | 0 | 107.8 | L1672 R1676 T1677 | L1672-N1674 PolarHBondContact O-N 3.38Å; N1674-R1676 PolarHBondContact O-N 2.96Å; N1674-T1677 PolarHBondContact O-N 3.12Å; N1674-T1677 PolarHBondContact O-OG1 2.8Å | ||
| 1675 | D | 33.5 | Very low | 29.2 | Very low | 80 Ų | 80 | 108.5 Ų | 108.5 | 43% | 0.428 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.9 | -14.6 | -171.9 | -58.7 | -52.8 | 0 | 0 | 0 | 113.8 | S701 T1677 S1678 | S701-D1675 VanDerWaalsContact CB-OD2 3.28Å; S701-D1675 WeakPolarHBondContact CB-OD2 3.38Å; S701-D1675 PolarHBondContact OG-OD2 3.43Å; D1675-T1677 PolarHBondContact O-N 3.32Å; D1675-S1678 PolarHBondContact O-OG 3.04Å |
| 1676 | R | 32.1 | Very low | 28.8 | Very low | 194 Ų | 194 | 105.7 Ų | 105.7 | 73% | 0.732 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -10.8 | 170.5 | -62.2 | -176.1 | 179.7 | -177.9 | 0.8 | 114.6 | D700 N1674 | D700-R1676 IonicContact OD2-CZ 3.69Å; D700-R1676 IonicContact OD2-NE 3.06Å; D700-R1676 IonicContact OD2-NH2 3.93Å; D700-R1676 PolarHBondContact OD2-NH2 2.97Å; N1674-R1676 PolarHBondContact O-N 2.96Å |
| 1677 | T | 27.8 | Very low | 28.3 | Very low | 83 Ų | 83 | 107.8 Ų | 107.8 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -118.4 | -5.3 | -169.9 | 59.5 | 0 | 0 | 0 | 0 | 116 | N1674 D1675 K1679 H1680 | N1674-T1677 PolarHBondContact O-N 3.12Å; N1674-T1677 PolarHBondContact O-OG1 2.8Å; D1675-T1677 PolarHBondContact O-N 3.32Å; T1677-K1679 PolarHBondContact O-N 3.2Å; T1677-H1680 PolarHBondContact O-N 3.41Å |
| 1678 | S | 26.2 | Very low | 27.7 | Very low | 94 Ų | 94 | 113.7 Ų | 113.7 | 66% | 0.657 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 2.4 | -179.1 | 59 | 0 | 0 | 0 | 0 | 115.5 | D1675 | D1675-S1678 PolarHBondContact O-OG 3.04Š|
| 1679 | K | 30.3 | Very low | 27.2 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 54% | 0.535 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.9 | -4 | -175.4 | -63 | -178.2 | -177.2 | 176 | 0 | 115 | I802 T1677 | I802-K1679 VanDerWaalsContact CD1-NZ 3.28Å; T1677-K1679 PolarHBondContact O-N 3.2Å |
| 1680 | H | 24.6 | Very low | 26.8 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 82% | 0.824 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -138.4 | 51.5 | -173.9 | -84.7 | -70.1 | 0 | 0 | 0 | 114.7 | T1677 | T1677-H1680 PolarHBondContact O-N 3.41Š|
| 1681 | I | 25.7 | Very low | 26.4 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | trans | -135.9 | 88.9 | 162.2 | -50.6 | 179.2 | 0 | 0 | 0 | 109.8 | ||||
| 1682 | N | 25.4 | Very low | 25.9 | Very low | 167 Ų | 167 | 129 Ų | 129 | 89% | 0.893 | 69% | 0.688 | S | S | * | * | trans | -129.4 | -12.6 | 161.2 | -102.4 | 2.1 | 0 | 0 | 0 | 112.3 | ||||
| 1683 | D | 22.8 | Very low | 25.7 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | trans | -100.1 | 93.6 | 174.6 | -74.4 | -54.9 | 0 | 0 | 0 | 110.8 | ||||
| 1684 | L | 24.1 | Very low | 25.5 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -175.2 | 86 | 148.2 | -105 | 163.6 | 0 | 0 | 0 | 111 | C1686 | L1684-C1686 PolarHBondContact O-N 2.76Å; L1684-C1686 VanDerWaalsContact O-N 3.17Å | ||
| 1685 | N | 22.7 | Very low | 25.5 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 89% | 0.893 | 69% | 0.693 | S | S | * | * | trans | -69.9 | 105.7 | 168.7 | -81.5 | -37 | 0 | 0 | 0 | 110.5 | ||||
| 1686 | C | 23.9 | Very low | 25.4 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -134.3 | 98.5 | 165 | -70.6 | 0 | 0 | 0 | 0 | 109.6 | L1684 | L1684-C1686 PolarHBondContact O-N 2.76Å; L1684-C1686 VanDerWaalsContact O-N 3.17Å | ||
| 1687 | N | 21.6 | Very low | 25.7 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -81.7 | 127.7 | 166.1 | -66.1 | -24.2 | 0 | 0 | 0 | 108.7 | ||||
| 1688 | E | 22.3 | Very low | 25.8 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 84% | 0.841 | 66% | 0.657 | S | S | * | * | 172.5 | 138.4 | 129.7 | -94.9 | 167.1 | -167.5 | 0 | 0 | 112.2 | |||||
| 1689 | S | 22.8 | Very low | 26.2 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | trans | 34.7 | 89.1 | 164 | 61.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1690 | L | 23 | Very low | 26.4 | Very low | 168 Ų | 168 | 120 Ų | 120 | 88% | 0.88 | 63% | 0.629 | S | S | * | * | trans | -148.3 | 96 | 157.3 | -104.7 | 164.1 | 0 | 0 | 0 | 108.8 | ||||
| 1691 | S | 21.6 | Very low | 26.9 | Very low | 109 Ų | 109 | 114.3 Ų | 114.3 | 76% | 0.762 | 60% | 0.601 | S | S | * | * | trans | -120.3 | -4.4 | -173 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1692 | D | 22.7 | Very low | 26.8 | Very low | 112 Ų | 112 | 110.5 Ų | 110.5 | 60% | 0.599 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -123 | 161.4 | -175.6 | -63.8 | -69 | 0 | 0 | 0 | 111 | ||
| 1693 | W | 27.1 | Very low | 26.7 | Very low | 193 Ų | 193 | 113.5 Ų | 113.5 | 73% | 0.731 | 60% | 0.596 | S | S | * | * | trans | 73.1 | 105.5 | 171.3 | -44.6 | 94.3 | 0 | 0 | 0 | 117.3 | N1667 | N1667-W1693 HydrophobicContact CB-CB 3.83Å; N1667-W1693 WeakPolarHBondContact ND2-CB 3.39Å; N1667-W1693 VanDerWaalsContact ND2-CD2 3.3Å; N1667-W1693 VanDerWaalsContact ND2-CE3 3.3Å | ||
| 1694 | L | 28 | Very low | 26.8 | Very low | 54 Ų | 54 | 113.7 Ų | 113.7 | 28% | 0.283 | 60% | 0.597 | S | S | . | * | trans | -143.2 | 99.7 | -179.6 | -154.3 | 160.1 | 0 | 0 | 0 | 111.1 | I1696 | L1694-I1696 WeakPolarHBondContact CD2-O 3.44Å; L1694-I1696 PolarHBondContact O-N 3.05Å | ||
| 1695 | F | 27.5 | Very low | 26.8 | Very low | 58 Ų | 58 | 113.2 Ų | 113.2 | 25% | 0.254 | 60% | 0.6 | S | S | . | * | B | Isolated β-bridge | trans | -85.3 | 87.2 | 175.1 | -106.6 | -87.1 | 0 | 0 | 0 | 111.8 | T1633 L1637 N1667 C1668 I1699 | T1633-F1695 HydrophobicContact CG2-CD1 4.47Å; T1633-F1695 HydrophobicContact CG2-CE1 3.5Å; T1633-F1695 VanDerWaalsContact CG2-CE1 3.5Å; T1633-F1695 HydrophobicContact CG2-CE2 4.4Å; T1633-F1695 HydrophobicContact CG2-CZ 3.45Å; T1633-F1695 VanDerWaalsContact CG2-CZ 3.45Å; L1637-F1695 HydrophobicContact CD1-CE1 3.89Å; L1637-F1695 HydrophobicContact CD1-CZ 4Å; L1637-F1695 HydrophobicContact CD2-CE1 4.44Å; L1637-F1695 HydrophobicContact CG-CE1 4.34Å; N1667-F1695 WeakPolarHBondContact O-CB 3.35Å; N1667-F1695 PolarHBondContact O-N 3.39Å; C1668-F1695 HydrophobicContact CB-CB 4.3Å; F1695-I1699 HydrophobicContact CD1-CD1 4.29Å; F1695-I1699 HydrophobicContact CE1-CD1 3.64Å; F1695-I1699 HydrophobicContact CE2-CD1 4.09Å; F1695-I1699 HydrophobicContact CZ-CD1 3.52Å |
| 1696 | I | 31 | Very low | 26.8 | Very low | 45 Ų | 45 | 114.3 Ų | 114.3 | 23% | 0.231 | 60% | 0.596 | C | S | . | * | S | Bend | trans | 157.5 | 131.9 | 157.1 | -85.7 | 153.6 | 0 | 0 | 0 | 107.5 | W1649 L1694 | W1649-I1696 HydrophobicContact CZ2-CD1 4.26Å; L1694-I1696 WeakPolarHBondContact CD2-O 3.44Å; L1694-I1696 PolarHBondContact O-N 3.05Å |
| 1697 | P | 37.8 | Very low | 26.7 | Very low | 26 Ų | 26 | 114.9 Ų | 114.9 | 17% | 0.169 | 60% | 0.597 | C | S | . | * | S | Bend | cis | -99.1 | 20.7 | -37.9 | 40.7 | -33.2 | 0 | 0 | 0 | 112.1 | H761 I1699 F1700 Y1701 | H761-P1697 WeakPolarHBondContact NE2-CD 3.37Å; P1697-I1699 PolarHBondContact O-N 3.44Å; P1697-F1700 HydrophobicContact CB-CD2 4.2Å; P1697-F1700 WeakPolarHBondContact O-CB 3.42Å; P1697-F1700 WeakPolarHBondContact O-CD2 3.49Å; P1697-F1700 PolarHBondContact O-N 2.98Å; P1697-Y1701 HydrophobicContact CG-CE2 4.22Å |
| 1698 | Q | 30.4 | Very low | 26.7 | Very low | 112 Ų | 112 | 115.2 Ų | 115.2 | 52% | 0.523 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -49.3 | -27.4 | -168.9 | -74.5 | -174.2 | -33.6 | 0 | 0 | 116.2 | F1700 Y1701 | Q1698-F1700 VanDerWaalsContact C-N 3.26Å; Q1698-F1700 PolarHBondContact O-N 3.33Å; Q1698-Y1701 PolarHBondContact O-N 2.99Å |
| 1699 | I | 34.6 | Very low | 26.7 | Very low | 88 Ų | 88 | 115.5 Ų | 115.5 | 45% | 0.451 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -66 | -26.2 | 178.6 | -59.5 | 173.9 | 0 | 0 | 0 | 112.3 | L1637 F1695 P1697 Y1701 | L1637-I1699 HydrophobicContact CD1-CD1 3.93Å; L1637-I1699 HydrophobicContact CD1-CG2 4.34Å; L1637-I1699 HydrophobicContact CD2-CB 4.12Å; L1637-I1699 HydrophobicContact CD2-CD1 4.15Å; L1637-I1699 HydrophobicContact CD2-CG2 3.83Å; F1695-I1699 HydrophobicContact CD1-CD1 4.29Å; F1695-I1699 HydrophobicContact CE1-CD1 3.64Å; F1695-I1699 HydrophobicContact CE2-CD1 4.09Å; F1695-I1699 HydrophobicContact CZ-CD1 3.52Å; P1697-I1699 PolarHBondContact O-N 3.44Å; I1699-Y1701 PolarHBondContact O-N 2.97Å |
| 1700 | F | 34.2 | Very low | 26.7 | Very low | 35 Ų | 35 | 113.8 Ų | 113.8 | 15% | 0.154 | 60% | 0.601 | C | S | . | * | G | 310 helix | trans | -70 | -19.2 | -178.3 | -78 | -94.6 | 0 | 0 | 0 | 114.2 | F561 I564 H565 L1637 P1697 Q1698 | F561-F1700 AromaticContact CD1-CE1 3.68Å; F561-F1700 HydrophobicContact CD1-CE1 3.68Å; F561-F1700 HydrophobicContact CD1-CZ 4.13Å; F561-F1700 AromaticContact CE1-CE1 3.79Å; F561-F1700 HydrophobicContact CE1-CE1 3.79Å; F561-F1700 AromaticContact CE1-CZ 3.73Å; F561-F1700 HydrophobicContact CE1-CZ 3.73Å; I564-F1700 HydrophobicContact CG2-CB 3.47Å; I564-F1700 VanDerWaalsContact CG2-CB 3.47Å; I564-F1700 HydrophobicContact CG2-CD1 3.39Å; I564-F1700 HydrophobicContact CG2-CE1 4.36Å; I564-F1700 HydrophobicContact CG2-CG 3.65Å; H565-F1700 AromaticContact CE1-CD1 3.33Å; H565-F1700 WeakPolarHBondContact CE1-CD1 3.45Å; H565-F1700 PolarHBondContact CE1-O 3.44Å; H565-F1700 PolarHBondContact ND1-O 2.87Å; H565-F1700 AromaticContact NE2-CD1 3.4Å; H565-F1700 WeakPolarHBondContact NE2-CD1 3.49Å; H565-F1700 AromaticContact NE2-CE1 3.77Å; L1637-F1700 HydrophobicContact CD2-CE2 4.33Å; P1697-F1700 HydrophobicContact CB-CD2 4.2Å; P1697-F1700 WeakPolarHBondContact O-CB 3.42Å; P1697-F1700 WeakPolarHBondContact O-CD2 3.49Å; P1697-F1700 PolarHBondContact O-N 2.98Å; Q1698-F1700 VanDerWaalsContact C-N 3.26Å; Q1698-F1700 PolarHBondContact O-N 3.33Å |
| 1701 | Y | 34.9 | Very low | 26.7 | Very low | 59 Ų | 59 | 110.7 Ų | 110.7 | 23% | 0.231 | 60% | 0.6 | C | S | . | * | G | 310 helix | trans | -110.7 | 4.4 | -173.5 | -58 | -75 | 0 | 0 | 0 | 113.4 | I564 L568 E720 P1697 Q1698 I1699 R1703 | I564-Y1701 HydrophobicContact CG2-CE1 4.35Å; I564-Y1701 HydrophobicContact CG2-CE2 4.48Å; I564-Y1701 WeakPolarHBondContact O-CE1 3.18Å; L568-Y1701 HydrophobicContact CD1-CE1 4.21Å; L568-Y1701 HydrophobicContact CD2-CD1 4.19Å; L568-Y1701 HydrophobicContact CD2-CE1 3.83Å; E720-Y1701 HydrophobicContact CG-CE1 4.47Å; E720-Y1701 WeakPolarHBondContact OE2-CE2 3.13Å; P1697-Y1701 HydrophobicContact CG-CE2 4.22Å; Q1698-Y1701 PolarHBondContact O-N 2.99Å; I1699-Y1701 PolarHBondContact O-N 2.97Å; Y1701-R1703 PolarHBondContact O-N 3.04Å; Y1701-R1703 VanDerWaalsContact O-N 3.09Å |
| 1702 | G | 24.3 | Very low | 26.8 | Very low | 63 Ų | 63 | 113.8 Ų | 113.8 | 65% | 0.649 | 60% | 0.602 | S | S | * | * | trans | -84.8 | 56.9 | -169 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1703 | R | 23.6 | Very low | 26.7 | Very low | 230 Ų | 230 | 114.7 Ų | 114.7 | 87% | 0.868 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -144.5 | 134.7 | 161.4 | -100.8 | -175.9 | -172.6 | 173.4 | 4.4 | 113.6 | Y1701 | Y1701-R1703 PolarHBondContact O-N 3.04Å; Y1701-R1703 VanDerWaalsContact O-N 3.09Å |
| 1704 | D | 24.5 | Very low | 26.4 | Very low | 158 Ų | 158 | 115.3 Ų | 115.3 | 85% | 0.845 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 60.5 | 55.9 | 162.4 | -63.9 | -4.3 | 0 | 0 | 0 | 119.4 | ||
| 1705 | V | 24.3 | Very low | 26 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 85% | 0.848 | 64% | 0.643 | S | S | * | * | trans | -126.2 | 124.7 | 141.7 | -177 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1706 | K | 23.6 | Very low | 25.6 | Very low | 190 Ų | 190 | 125 Ų | 125 | 83% | 0.826 | 67% | 0.667 | S | S | * | * | trans | -86.4 | 132 | 167.7 | -71.7 | -173.1 | 175.9 | -172.5 | 0 | 109.3 | N1708 | K1706-N1708 PolarHBondContact O-N 3.32Š| ||
| 1707 | T | 21 | Very low | 25.1 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | -67.1 | 109.4 | 168 | 37.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1708 | N | 22.4 | Very low | 24.3 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | trans | -98.7 | 93.9 | 154.3 | -85.5 | 11.9 | 0 | 0 | 0 | 106.9 | K1706 | K1706-N1708 PolarHBondContact O-N 3.32Š| ||
| 1709 | E | 20.9 | Very low | 24.3 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -73.7 | 132.6 | 167.5 | -61.5 | 177.7 | 142.6 | 0 | 0 | 108.8 | ||||
| 1710 | G | 22.9 | Very low | 23.6 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | 147 | 60 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1711 | A | 23.7 | Very low | 23 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | -158.6 | 150.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1712 | Q | 22.6 | Very low | 22.4 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -113.3 | 155.5 | 177.7 | -75.8 | -173.8 | -108.4 | 0 | 0 | 111 | ||||
| 1713 | D | 21.3 | Very low | 22.2 | Very low | 132 Ų | 132 | 153.6 Ų | 153.6 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | 27.2 | 112.1 | 143.1 | -43.4 | -40.8 | 0 | 0 | 0 | 118.6 | ||||
| 1714 | E | 21.3 | Very low | 22.2 | Very low | 205 Ų | 205 | 151.2 Ų | 151.2 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | -179.6 | -169.4 | 108.5 | -98.8 | -169.3 | 177.1 | 0 | 0 | 112.6 | |||||
| 1715 | M | 19.3 | Very low | 22 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -117.6 | 156.5 | -154 | -137.2 | 169.4 | 57.5 | 0 | 0 | 113.5 | ||||
| 1716 | M | 20 | Very low | 21.9 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 76.1 | 129.3 | 156.1 | -65.6 | -68.4 | -103.6 | 0 | 0 | 121.8 | ||||
| 1717 | V | 18.7 | Very low | 21.9 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 79.8 | 137.5 | 143.9 | 175 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1718 | Y | 20.9 | Very low | 21.8 | Very low | 223 Ų | 223 | 148.9 Ų | 148.9 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | -106.5 | 175.8 | 173.7 | -89.5 | -80 | 0 | 0 | 0 | 109.9 | ||||
| 1719 | P | 30.6 | Very low | 21.9 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | cis | -129.2 | -179.8 | -25.6 | 37.9 | -22.2 | 0 | 0 | 0 | 112.3 | ||||
| 1720 | E | 19.8 | Very low | 21.9 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | -172.1 | 177.3 | 118 | -112.6 | -174.1 | -170.2 | 0 | 0 | 114.4 | |||||
| 1721 | I | 21.9 | Very low | 21.8 | Very low | 80 Ų | 80 | 149.6 Ų | 149.6 | 41% | 0.41 | 81% | 0.808 | S | S | . | * | trans | -98.6 | 144.3 | -154.8 | -65.6 | 138.6 | 0 | 0 | 0 | 112.9 | D420 | D420-I1721 VanDerWaalsContact OD1-CD1 3.24Å; D420-I1721 WeakPolarHBondContact OD1-CD1 3.34Å; D420-I1721 WeakPolarHBondContact OD2-CD1 3.1Å; D420-I1721 WeakPolarHBondContact OD2-CG1 3.28Å; D420-I1721 WeakPolarHBondContact OD2-CG2 3.49Å | ||
| 1722 | Q | 22.6 | Very low | 21.8 | Very low | 199 Ų | 199 | 155 Ų | 155 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -164.9 | 155.8 | 131 | -110.8 | 171.6 | 35.4 | 0 | 0 | 113.2 | ||||
| 1723 | S | 20.8 | Very low | 21.7 | Very low | 109 Ų | 109 | 155 Ų | 155 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -131.6 | 144.5 | -176 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1724 | L | 23.4 | Very low | 21.7 | Very low | 179 Ų | 179 | 158.3 Ų | 158.3 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | trans | -164.1 | 148.6 | 155.9 | -113.9 | 165.6 | 0 | 0 | 0 | 109.3 | ||||
| 1725 | S | 20.2 | Very low | 22 | Very low | 117 Ų | 117 | 154 Ų | 154 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -134.3 | 146.6 | 177 | 71.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1726 | G | 22.2 | Very low | 22.1 | Very low | 76 Ų | 76 | 153.2 Ų | 153.2 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | 112.2 | 79 | 169 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1727 | Q | 22.4 | Very low | 22.2 | Very low | 199 Ų | 199 | 153.3 Ų | 153.3 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -145.1 | 155.1 | 136.1 | -115.6 | -178.7 | 28.2 | 0 | 0 | 111.3 | ||||
| 1728 | M | 19.4 | Very low | 22.4 | Very low | 170 Ų | 170 | 153.8 Ų | 153.8 | 84% | 0.837 | 80% | 0.803 | S | S | * | * | trans | -89.2 | 130.4 | -165.4 | -65.9 | 139.8 | 49.1 | 0 | 0 | 113.2 | ||||
| 1729 | V | 24.4 | Very low | 22.4 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 92% | 0.915 | 80% | 0.801 | S | S | * | * | trans | -134.5 | 142.4 | 135.3 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1730 | Q | 21.2 | Very low | 21.9 | Very low | 159 Ų | 159 | 150.7 Ų | 150.7 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -86.6 | 175 | -167.7 | -66.6 | 179.7 | -19.5 | 0 | 0 | 114.3 | ||||
| 1731 | T | 21.8 | Very low | 22 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | 83 | 95.1 | 161.5 | 71.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1732 | K | 22.6 | Very low | 22.2 | Very low | 216 Ų | 216 | 153.3 Ų | 153.3 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | trans | -149 | 115.4 | 139.9 | -118.2 | 168.3 | -172.4 | 169.2 | 0 | 110.5 | ||||
| 1733 | L | 21.4 | Very low | 22.1 | Very low | 173 Ų | 173 | 153.5 Ų | 153.5 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -85.7 | 147.5 | 173.4 | -82.3 | 155.7 | 0 | 0 | 0 | 110.5 | ||||
| 1734 | K | 21.6 | Very low | 22.2 | Very low | 202 Ų | 202 | 153.2 Ų | 153.2 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -132.9 | 150.8 | 145.9 | -98.6 | -166.5 | 173.4 | -175.2 | 0 | 109.7 | ||||
| 1735 | P | 27.7 | Very low | 22.2 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -112.2 | -172.5 | -156.5 | 42.7 | -34.6 | 0 | 0 | 0 | 113.1 | ||||
| 1736 | N | 20.6 | Very low | 22.2 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -147 | 138.5 | 156.3 | -112 | -47.6 | 0 | 0 | 0 | 111.8 | ||||
| 1737 | R | 22.5 | Very low | 22.6 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 59% | 0.585 | 81% | 0.808 | S | S | * | * | trans | 55 | 123.6 | 157.9 | -65.5 | 179.1 | 157.3 | 163.3 | -12 | 119.6 | N449 | N449-R1737 PolarHBondContact O-NH1 2.89Å; N449-R1737 PolarHBondContact OD1-NE 3.18Å; N449-R1737 PolarHBondContact OD1-NH1 3.29Å | ||
| 1738 | L | 21.8 | Very low | 23.1 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | -156.5 | 178.3 | 92.3 | -106.6 | 169.3 | 0 | 0 | 0 | 111.1 | |||||
| 1739 | L | 20.8 | Very low | 23.1 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -124.9 | 178.7 | -177.2 | -124.6 | 174.6 | 0 | 0 | 0 | 110 | ||||
| 1740 | S | 20.9 | Very low | 22.9 | Very low | 106 Ų | 106 | 146 Ų | 146 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 55.4 | 95.9 | 176.9 | 62.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1741 | D | 22.6 | Very low | 22.9 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | -147.8 | 172 | 112.7 | -133.2 | -29 | 0 | 0 | 0 | 110.8 | |||||
| 1742 | I | 24.8 | Very low | 22.8 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 71.4 | 88.9 | -177.4 | -51.6 | 177.6 | 0 | 0 | 0 | 114.8 | ||||
| 1743 | F | 21.2 | Very low | 22.8 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 89% | 0.886 | 77% | 0.77 | S | S | * | * | trans | -70.1 | 169.3 | 149.6 | -97.9 | -101.9 | 0 | 0 | 0 | 111.5 | ||||
| 1744 | S | 21.8 | Very low | 22.9 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 74.7 | 151.3 | 171.3 | 82.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1745 | V | 23.9 | Very low | 22.9 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | cis | -135.1 | 153.3 | 11.7 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1746 | I | 21.6 | Very low | 22.7 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | trans | -150.1 | 159.1 | -175.4 | -68 | 179.3 | 0 | 0 | 0 | 107.7 | ||||
| 1747 | P | 30.2 | Very low | 23 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | -117.3 | -43.5 | -9 | 18.8 | -2.5 | 0 | 0 | 0 | 124.4 | ||||
| 1748 | P | 31.4 | Very low | 23 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | -128.6 | 151.6 | -110.1 | 37.9 | -22.3 | 0 | 0 | 0 | 120.7 | |||||
| 1749 | V | 19.7 | Very low | 23.1 | Very low | 123 Ų | 123 | 139 Ų | 139 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | 39.4 | 124.5 | 123.6 | -166.2 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1750 | T | 20.2 | Very low | 23.3 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | trans | 68.7 | 133.3 | 155.9 | 52.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1751 | N | 21 | Very low | 23.4 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | 73.4 | 131.2 | 135.2 | -74.8 | -4.2 | 0 | 0 | 0 | 123.3 | ||||
| 1752 | F | 21.3 | Very low | 23.4 | Very low | 207 Ų | 207 | 136.5 Ų | 136.5 | 91% | 0.908 | 75% | 0.752 | S | S | * | * | trans | 59.6 | 149.1 | 152.7 | -68.8 | -64.3 | 0 | 0 | 0 | 120.5 | ||||
| 1753 | G | 21.8 | Very low | 23.4 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | trans | 115.1 | 65.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1754 | T | 22.8 | Very low | 23.5 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 25.5 | 143.4 | 132.9 | 47.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1755 | E | 23.3 | Very low | 23.6 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | trans | 74.3 | 96.7 | 150.5 | -71.6 | 168.9 | -139.3 | 0 | 0 | 117.8 | ||||
| 1756 | T | 23.3 | Very low | 23.6 | Very low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | 87.3 | 146.8 | 72.9 | 59 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1757 | K | 26.1 | Very low | 23.9 | Very low | 194 Ų | 194 | 136.4 Ų | 136.4 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | 82.5 | 113.2 | -178.2 | -57.8 | 170.2 | -174.4 | 169 | 0 | 111.9 | ||||
| 1758 | N | 22.3 | Very low | 23.6 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | cis | 49.9 | 113.9 | 48.9 | -71.2 | 14.3 | 0 | 0 | 0 | 111.1 | ||||
| 1759 | E | 23.6 | Very low | 23.2 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | -175.7 | 164 | 58.7 | -125.8 | 169.1 | -110.6 | 0 | 0 | 113.6 | |||||
| 1760 | N | 25.4 | Very low | 23.3 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | trans | 54 | 116.2 | 155.2 | -48.9 | -35.9 | 0 | 0 | 0 | 120.4 | ||||
| 1761 | L | 22.6 | Very low | 23.5 | Very low | 158 Ų | 158 | 139 Ų | 139 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | 83.4 | 93.7 | 56.5 | -90.8 | 80.4 | 0 | 0 | 0 | 118.6 | |||||
| 1762 | S | 23.7 | Very low | 23.6 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | 59.6 | 119.1 | 122.6 | 67.8 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1763 | L | 24.8 | Very low | 23.8 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 90% | 0.901 | 76% | 0.758 | S | S | * | * | 64.3 | 129.3 | 127.1 | -75.7 | 162.2 | 0 | 0 | 0 | 123.2 | |||||
| 1764 | S | 22.8 | Very low | 23.9 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | 173.3 | 173.8 | 141.5 | 40.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1765 | A | 24.8 | Very low | 24 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | cis | -175.2 | -176.3 | -40.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1766 | Q | 23.9 | Very low | 24 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | cis | -158.4 | 154.7 | -1.9 | -156.9 | -163.7 | 108.9 | 0 | 0 | 109.2 | ||||
| 1767 | K | 27.1 | Very low | 23.8 | Very low | 205 Ų | 205 | 141.1 Ų | 141.1 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -151 | 138.1 | 148.6 | -108.2 | -172.3 | -178.2 | -179.3 | 0 | 109.9 | ||||
| 1768 | S | 22.8 | Very low | 23.5 | Very low | 84 Ų | 84 | 141.3 Ų | 141.3 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | -168.1 | 133.9 | -69.2 | 48.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1769 | V | 23.4 | Very low | 23.4 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 143.4 | 120.4 | 170.4 | 156 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1770 | K | 23 | Very low | 23.4 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | cis | -148.3 | 134.2 | 11 | -130.6 | 169.6 | -175 | 176.1 | 0 | 109.5 | ||||
| 1771 | S | 24.2 | Very low | 23.2 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 43.9 | 145.9 | 149.6 | 56.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1772 | S | 22 | Very low | 23.1 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | cis | 179.9 | 167.4 | -17.4 | -160 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1773 | V | 26.1 | Very low | 23.2 | Very low | 128 Ų | 128 | 149 Ų | 149 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 68.3 | 139.3 | 161 | 168.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1774 | R | 24.1 | Very low | 23.1 | Very low | 203 Ų | 203 | 145.6 Ų | 145.6 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -171.1 | 156.6 | -19.3 | -115.8 | -170.7 | 164.7 | 171 | -4.3 | 109.7 | ||||
| 1775 | N | 24 | Very low | 23 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | trans | 60.6 | 164.5 | 145.1 | -70.5 | 31 | 0 | 0 | 0 | 119.6 | ||||
| 1776 | Q | 23.8 | Very low | 23.1 | Very low | 171 Ų | 171 | 154.8 Ų | 154.8 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | cis | -158.7 | 173.8 | -37.7 | -120 | 174.5 | -41.8 | 0 | 0 | 108.5 | ||||
| 1777 | V | 19.5 | Very low | 23.1 | Very low | 125 Ų | 125 | 157 Ų | 157 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | -108 | 153.4 | 177 | 161.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1778 | F | 20 | Very low | 22.9 | Very low | 198 Ų | 198 | 152.7 Ų | 152.7 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | 72.8 | 157.6 | 170 | -101.5 | -71.6 | 0 | 0 | 0 | 120.1 | ||||
| 1779 | E | 20.7 | Very low | 23 | Very low | 157 Ų | 157 | 152.8 Ų | 152.8 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | 80.8 | 140.8 | 161.5 | -96.8 | -169.9 | -144.4 | 0 | 0 | 123.2 | ||||
| 1780 | N | 22.4 | Very low | 23.2 | Very low | 124 Ų | 124 | 158.4 Ų | 158.4 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | trans | 58.5 | 98.4 | 155.8 | -54.9 | -31.3 | 0 | 0 | 0 | 118.1 | ||||
| 1781 | F | 20.6 | Very low | 23.1 | Very low | 199 Ų | 199 | 161.2 Ų | 161.2 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | 57.1 | 82.1 | 53.1 | -126.6 | -70.6 | 0 | 0 | 0 | 113.5 | |||||
| 1782 | N | 22.6 | Very low | 23 | Very low | 132 Ų | 132 | 167.3 Ų | 167.3 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -168.1 | 135.6 | 150.6 | -106.3 | -57.3 | 0 | 0 | 0 | 116.6 | ||||
| 1783 | R | 25.1 | Very low | 22.9 | Very low | 218 Ų | 218 | 165 Ų | 165 | 82% | 0.823 | 74% | 0.739 | S | S | * | * | trans | 58.5 | 75.2 | 140.1 | -67.3 | 165.2 | -169.2 | -152 | -2.8 | 123.1 | ||||
| 1784 | S | 21.6 | Very low | 22.9 | Very low | 101 Ų | 101 | 163 Ų | 163 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 21.1 | 124.4 | 119.5 | 64.7 | 0 | 0 | 0 | 0 | 124 | |||||
| 1785 | R | 22.1 | Very low | 22.8 | Very low | 159 Ų | 159 | 159.3 Ų | 159.3 | 60% | 0.6 | 73% | 0.725 | S | S | * | * | 87.9 | 103.5 | 128.5 | -70.2 | 174.2 | 169.3 | -146.4 | -9.6 | 124.5 | |||||
| 1786 | R | 26.4 | Very low | 22.8 | Very low | 246 Ų | 246 | 160.7 Ų | 160.7 | 93% | 0.928 | 73% | 0.727 | S | S | * | * | trans | -169.9 | 152.8 | 141 | -95.6 | 179.2 | -167.1 | -163.6 | 2.8 | 107.6 | ||||
| 1787 | R | 22.9 | Very low | 22.8 | Very low | 201 Ų | 201 | 160.7 Ų | 160.7 | 76% | 0.758 | 72% | 0.72 | S | S | * | * | cis | 71.9 | 136.4 | -3.9 | -74.6 | -158.5 | 170.6 | -154.9 | -1.1 | 119.8 | ||||
| 1788 | L | 23.4 | Very low | 23 | Very low | 116 Ų | 116 | 162.8 Ų | 162.8 | 61% | 0.607 | 71% | 0.714 | S | S | * | * | cis | -173.7 | 175 | -17.3 | -128.1 | -178.7 | 0 | 0 | 0 | 111.2 | ||||
| 1789 | H | 24.2 | Very low | 23 | Very low | 86 Ų | 86 | 159.8 Ų | 159.8 | 40% | 0.398 | 71% | 0.707 | S | S | . | * | 141.4 | 120 | 129.6 | -70.8 | -55 | 0 | 0 | 0 | 119.9 | S1793 | H1789-S1793 WeakPolarHBondContact CB-OG 3.48Å; H1789-S1793 WeakPolarHBondContact CE1-CA 3.32Å; H1789-S1793 PolarHBondContact CE1-N 2.94Å; H1789-S1793 VanDerWaalsContact CE1-N 3.33Å; H1789-S1793 WeakPolarHBondContact ND1-CA 3.24Å; H1789-S1793 PolarHBondContact ND1-N 3.29Å; H1789-S1793 VanDerWaalsContact ND1-N 3.16Å; H1789-S1793 PolarHBondContact ND1-OG 2.94Å; H1789-S1793 VanDerWaalsContact ND1-OG 3.08Å | |||
| 1790 | R | 27.7 | Very low | 23.1 | Very low | 249 Ų | 249 | 157.1 Ų | 157.1 | 94% | 0.94 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 158.9 | 114.4 | 152.4 | -96 | -171.8 | -175.6 | -165.3 | 3.6 | 107.7 | ||
| 1791 | R | 22.7 | Very low | 23.7 | Very low | 240 Ų | 240 | 157 Ų | 157 | 91% | 0.906 | 71% | 0.711 | S | S | * | * | S | Bend | cis | -53.9 | 175.2 | -10 | -84.9 | -176.5 | 172.6 | 178.5 | -2 | 112.7 | ||
| 1792 | W | 20.3 | Very low | 24.4 | Very low | 239 Ų | 239 | 152.5 Ų | 152.5 | 91% | 0.905 | 70% | 0.702 | S | S | * | * | trans | -56.6 | 151.9 | -166.1 | -65 | 8.1 | 0 | 0 | 0 | 114.1 | ||||
| 1793 | S | 20.6 | Very low | 24.2 | Very low | 56 Ų | 56 | 153.5 Ų | 153.5 | 39% | 0.392 | 71% | 0.706 | S | S | . | * | cis | 83.3 | 123.4 | 28.1 | -51.4 | 0 | 0 | 0 | 0 | 114 | H1789 | H1789-S1793 WeakPolarHBondContact CB-OG 3.48Å; H1789-S1793 WeakPolarHBondContact CE1-CA 3.32Å; H1789-S1793 PolarHBondContact CE1-N 2.94Å; H1789-S1793 VanDerWaalsContact CE1-N 3.33Å; H1789-S1793 WeakPolarHBondContact ND1-CA 3.24Å; H1789-S1793 PolarHBondContact ND1-N 3.29Å; H1789-S1793 VanDerWaalsContact ND1-N 3.16Å; H1789-S1793 PolarHBondContact ND1-OG 2.94Å; H1789-S1793 VanDerWaalsContact ND1-OG 3.08Å | ||
| 1794 | P | 26 | Very low | 24 | Very low | 86 Ų | 86 | 147.3 Ų | 147.3 | 56% | 0.558 | 70% | 0.696 | S | S | * | * | cis | -124.2 | -155.3 | -34.3 | 32.3 | -12.6 | 0 | 0 | 0 | 109.9 | ||||
| 1795 | N | 23.2 | Very low | 23.9 | Very low | 126 Ų | 126 | 151.4 Ų | 151.4 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | trans | 73.3 | 138.3 | 169.1 | -46.6 | -28.5 | 0 | 0 | 0 | 116.8 | ||||
| 1796 | H | 23.6 | Very low | 24 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | cis | -150.2 | -176.3 | -30.3 | -136.8 | -115.7 | 0 | 0 | 0 | 109.7 | ||||
| 1797 | R | 23.1 | Very low | 23.8 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 65% | 0.645 | 70% | 0.697 | S | S | * | * | trans | -29.9 | 162.4 | 170 | -65.2 | 172.4 | -174.1 | -178.3 | 0.3 | 117.1 | ||||
| 1798 | R | 23.1 | Very low | 23.9 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 64% | 0.638 | 69% | 0.689 | S | S | * | * | cis | -170.4 | 167.3 | 8.2 | -122.8 | 173 | 174.3 | 169.9 | -2.7 | 110.9 | ||||
| 1799 | L | 21.7 | Very low | 24.1 | Very low | 136 Ų | 136 | 145 Ų | 145 | 71% | 0.712 | 70% | 0.698 | S | S | * | * | trans | 23.7 | 146.6 | 139.4 | -63.9 | 165.7 | 0 | 0 | 0 | 122.8 | ||||
| 1800 | S | 22.7 | Very low | 24 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | trans | -72 | 177.4 | 154.5 | 52 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1801 | P | 33.8 | Very low | 23.9 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | cis | -115.9 | -104.2 | -7.3 | 21.5 | 4.4 | 0 | 0 | 0 | 113.6 | ||||
| 1802 | P | 35.4 | Very low | 23.9 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | trans | -119.5 | -175.7 | -147 | 34.9 | -12.4 | 0 | 0 | 0 | 115.6 | ||||
| 1803 | I | 19.6 | Very low | 24.2 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | 86.2 | 137.2 | 166.7 | -52 | 172.2 | 0 | 0 | 0 | 116.5 | ||||
| 1804 | S | 20.3 | Very low | 24.2 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | trans | 58.2 | 117.5 | 160.7 | 61.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1805 | E | 20.3 | Very low | 24.4 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | 62.1 | 161.7 | 125.3 | -60.5 | 168.7 | -173.2 | 0 | 0 | 122.4 | |||||
| 1806 | S | 22.2 | Very low | 24.5 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | cis | -168 | 150.8 | -48.5 | 73 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1807 | R | 24 | Very low | 24.6 | Very low | 203 Ų | 203 | 136 Ų | 136 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | trans | 66.3 | 159.1 | 156.9 | -59.5 | -176.6 | 110.2 | 156.8 | -0.3 | 118.8 | ||||
| 1808 | E | 24 | Very low | 24.7 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 57% | 0.57 | 71% | 0.713 | S | S | * | * | cis | -161 | -177.4 | -18.5 | -114.5 | 167.5 | -166.6 | 0 | 0 | 111.6 | ||||
| 1809 | H | 27.1 | Very low | 24.7 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | trans | 83.9 | 148.3 | 166.7 | -54 | -71.2 | 0 | 0 | 0 | 120.3 | ||||
| 1810 | S | 22.8 | Very low | 24.6 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | cis | 179.1 | 127.2 | -45.3 | 48.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1811 | S | 26.7 | Very low | 24.6 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | trans | -176.8 | 138.6 | 148.9 | 57 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1812 | F | 22.1 | Very low | 23.9 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | trans | -26.3 | 154.3 | 168.4 | -62.1 | -84.5 | 0 | 0 | 0 | 119.3 | ||||
| 1813 | H | 25.3 | Very low | 23.2 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 85% | 0.852 | 72% | 0.718 | S | S | * | * | cis | -139.7 | 163 | 46.3 | -118.8 | -95.3 | 0 | 0 | 0 | 117.3 | ||||
| 1814 | L | 21.5 | Very low | 23.5 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 59% | 0.592 | 72% | 0.722 | S | S | * | * | trans | -94.8 | -178.4 | 175.4 | -111.8 | 79.7 | 0 | 0 | 0 | 111.7 | ||||
| 1815 | P | 29.1 | Very low | 23.9 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | cis | -115.6 | 173.5 | 9.6 | 42.8 | -30 | 0 | 0 | 0 | 113.2 | ||||
| 1816 | S | 25.4 | Very low | 23.9 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | cis | -170.1 | 167.7 | 10.3 | 22.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1817 | H | 26.6 | Very low | 24 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 65% | 0.653 | 73% | 0.725 | S | S | * | * | cis | -171 | 157 | -18.7 | -87.5 | -37.1 | 0 | 0 | 0 | 105.1 | ||||
| 1818 | H | 24.9 | Very low | 23.9 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 65% | 0.648 | 72% | 0.723 | S | S | * | * | cis | -146.8 | 139.3 | -3.4 | -141.1 | -87.6 | 0 | 0 | 0 | 109.6 | ||||
| 1819 | F | 22.4 | Very low | 23.9 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | trans | 20.4 | 120.1 | 152.6 | -69.8 | -117.2 | 0 | 0 | 0 | 119.9 | ||||
| 1820 | M | 21.6 | Very low | 23.7 | Very low | 158 Ų | 158 | 139 Ų | 139 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | 72.3 | 104 | 54.3 | -68 | -157.6 | 77.1 | 0 | 0 | 117.6 | |||||
| 1821 | S | 21.2 | Very low | 23.8 | Very low | 78 Ų | 78 | 139 Ų | 139 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | trans | 26.3 | 136.7 | 130.3 | 61.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 1822 | F | 20.3 | Very low | 23.6 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | 177.9 | 169.4 | 96.5 | -110.3 | -71 | 0 | 0 | 0 | 115.1 | |||||
| 1823 | V | 21 | Very low | 23.6 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | trans | 70.5 | 109.9 | 151.5 | 166.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1824 | K | 24.7 | Very low | 23.4 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | trans | -81.1 | 156.8 | 138.8 | -72.7 | 177.1 | 178 | 172.3 | 0 | 107.8 | ||||
| 1825 | P | 28 | Very low | 23.5 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | cis | -147.9 | 168.6 | 30.2 | 41.7 | -22.2 | 0 | 0 | 0 | 118.7 | ||||
| 1826 | K | 22 | Very low | 23 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | 45.8 | 136.4 | 140.8 | -63.2 | 172.6 | -179.8 | 179.3 | 0 | 119.6 | ||||
| 1827 | H | 23.3 | Very low | 22.8 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | -158.7 | 153.2 | 59.4 | -115.8 | -83.1 | 0 | 0 | 0 | 114.9 | |||||
| 1828 | S | 21.4 | Very low | 22.4 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 63.2 | 147.5 | 169.8 | 34.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1829 | I | 24.9 | Very low | 22 | Very low | 151 Ų | 151 | 142 Ų | 142 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | cis | -117.1 | 137.3 | 20.8 | -71.7 | 173.2 | 0 | 0 | 0 | 113.1 | ||||
| 1830 | N | 23.5 | Very low | 22 | Very low | 131 Ų | 131 | 144 Ų | 144 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 21.2 | 112.4 | 152.4 | -50 | -13.8 | 0 | 0 | 0 | 118.7 | ||||
| 1831 | S | 23.2 | Very low | 21.8 | Very low | 100 Ų | 100 | 143 Ų | 143 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | 96.4 | 142.1 | 96.8 | 71.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1832 | F | 24.3 | Very low | 21.9 | Very low | 195 Ų | 195 | 145 Ų | 145 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | cis | -120.1 | 163 | 23.6 | -107.3 | -105.6 | 0 | 0 | 0 | 115.2 | ||||
| 1833 | T | 21.1 | Very low | 21.9 | Very low | 113 Ų | 113 | 141 Ų | 141 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | trans | -112.7 | 153.8 | 167.6 | 48.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1834 | Q | 21.9 | Very low | 21.9 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | 69.5 | 147.8 | -176.7 | -54.8 | 165.7 | -28 | 0 | 0 | 111 | ||||
| 1835 | I | 22.1 | Very low | 21.7 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | cis | -128.3 | 158.2 | 30.5 | -76.1 | 165.3 | 0 | 0 | 0 | 111.5 | ||||
| 1836 | A | 19.6 | Very low | 21.4 | Very low | 80 Ų | 80 | 137.8 Ų | 137.8 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | -93.5 | 162.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1837 | S | 20 | Very low | 21.4 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | 57.8 | 122.7 | 174.8 | 60.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1838 | F | 20.2 | Very low | 21.4 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | -139.8 | 128.9 | 147.2 | -110.3 | -77.5 | 0 | 0 | 0 | 110.4 | ||||
| 1839 | S | 16.3 | Very low | 21.5 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | -122.7 | 126.5 | 165.8 | 54.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1840 | Y | 20.5 | Very low | 21.5 | Very low | 209 Ų | 209 | 133.2 Ų | 133.2 | 82% | 0.82 | 74% | 0.739 | S | S | * | * | trans | 67.8 | 162 | 162.1 | -92.4 | -90.9 | 0 | 0 | 0 | 120.7 | ||||
| 1841 | D | 18.8 | Very low | 21.4 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 79 | 162.3 | 156.3 | -66.9 | -15.5 | 0 | 0 | 0 | 121.9 | ||||
| 1842 | V | 22.8 | Very low | 21.9 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 73.7 | 103.8 | 176.1 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1843 | S | 19.4 | Very low | 22 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | cis | 66 | 159.1 | 39.7 | 105.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1844 | S | 22.8 | Very low | 22.2 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | trans | 64.6 | 131.6 | -166.8 | 83.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1845 | V | 19.7 | Very low | 22.3 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 76% | 0.758 | 71% | 0.711 | S | S | * | * | cis | 64.3 | 120 | 26.2 | -170 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1846 | N | 21 | Very low | 22.4 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | 65.2 | 127.3 | -177.9 | -63.5 | -26.8 | 0 | 0 | 0 | 113.5 | ||||
| 1847 | I | 23.4 | Very low | 22.7 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 80% | 0.795 | 71% | 0.711 | S | S | * | * | cis | -145 | 161.3 | 34.6 | -114.2 | 133.2 | 0 | 0 | 0 | 112.7 | S1849 | I1847-S1849 PolarHBondContact O-N 3.18Š| ||
| 1848 | S | 22.8 | Very low | 23 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | trans | -56 | 117.7 | 169.4 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1849 | S | 22.8 | Very low | 23.1 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 52% | 0.524 | 70% | 0.698 | S | S | . | * | 17.7 | 154.1 | 113.9 | 79.1 | 0 | 0 | 0 | 0 | 119.1 | I1847 | I1847-S1849 PolarHBondContact O-N 3.18Š| |||
| 1850 | K | 24.5 | Very low | 23.5 | Very low | 173 Ų | 173 | 134 Ų | 134 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | trans | 82.9 | 149.6 | 157.3 | -59.4 | 160 | -171.3 | 163 | 0 | 113.8 | ||||
| 1851 | K | 23.2 | Very low | 23.6 | Very low | 173 Ų | 173 | 129 Ų | 129 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | cis | -168.6 | -166.6 | -2.4 | -116.2 | 178.2 | 179.9 | -170.2 | 0 | 108.6 | ||||
| 1852 | P | 33.1 | Very low | 23.8 | Very low | 84 Ų | 84 | 130 Ų | 130 | 55% | 0.545 | 69% | 0.692 | S | S | . | * | -126.3 | -142.6 | -82.2 | 36.7 | -12.9 | 0 | 0 | 0 | 109.3 | |||||
| 1853 | Y | 25.3 | Very low | 24.2 | Very low | 170 Ų | 170 | 129 Ų | 129 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | -178.1 | 118 | 110.9 | -92.2 | -60.5 | 0 | 0 | 0 | 107.8 | Q1914 | Y1853-Q1914 PolarHBondContact OH-NE2 3.15Š| |||
| 1854 | S | 25.2 | Very low | 24.5 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 50% | 0.503 | 69% | 0.688 | S | S | . | * | 69 | 145.2 | 91.4 | 75.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1855 | T | 25.7 | Very low | 24.6 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | -162.6 | 162 | 61.1 | 41.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 1856 | W | 24.2 | Very low | 24.7 | Very low | 213 Ų | 213 | 138.1 Ų | 138.1 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | cis | -170.6 | -177.3 | -15.9 | -117.2 | 22.2 | 0 | 0 | 0 | 112.2 | ||||
| 1857 | T | 24.2 | Very low | 24.8 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | trans | 79.2 | 152.8 | 170.9 | 75 | 0 | 0 | 0 | 0 | 115 | ||||
| 1858 | H | 26.7 | Very low | 24.8 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 71% | 0.708 | 67% | 0.668 | S | S | * | * | cis | -164.1 | 161.2 | -11.5 | -112.5 | 172.5 | 0 | 0 | 0 | 108.5 | ||||
| 1859 | R | 23.6 | Very low | 24.8 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 67% | 0.672 | 65% | 0.648 | S | S | * | * | cis | -162.9 | 158.1 | -13 | -150.6 | 179.6 | -179 | -94.8 | 2.7 | 109.2 | ||||
| 1860 | D | 22.8 | Very low | 25.4 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | trans | 58.9 | -172.6 | 164.9 | -49.4 | -50.5 | 0 | 0 | 0 | 115.4 | ||||
| 1861 | C | 23.4 | Very low | 25.4 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 70% | 0.703 | 65% | 0.647 | S | S | * | * | cis | -152.7 | 150.6 | -2.4 | -153.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1862 | I | 23.8 | Very low | 25.5 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 80% | 0.8 | 65% | 0.654 | S | S | * | * | trans | 63 | 140.4 | 159.3 | -76.5 | 161.2 | 0 | 0 | 0 | 119.8 | ||||
| 1863 | P | 31.5 | Very low | 25.1 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 66% | 0.656 | 66% | 0.664 | S | S | * | * | trans | -149.6 | -170.9 | -138.1 | 45 | -23.6 | 0 | 0 | 0 | 120.4 | ||||
| 1864 | Q | 23.8 | Very low | 25.6 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | trans | 80 | 154.9 | 159.5 | -71.5 | -177.1 | 39.3 | 0 | 0 | 118.8 | ||||
| 1865 | R | 25.5 | Very low | 25.5 | Very low | 203 Ų | 203 | 129.4 Ų | 129.4 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | cis | -152.5 | 144.1 | 12.6 | -112.9 | 153.6 | -171.4 | -148.1 | 1.8 | 109 | ||||
| 1866 | Q | 22.7 | Very low | 25.4 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | 70.9 | 145.1 | 84.6 | -66 | 175.8 | -114.9 | 0 | 0 | 116 | |||||
| 1867 | V | 23.3 | Very low | 25.4 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 67% | 0.673 | 69% | 0.689 | S | S | * | * | cis | -170.8 | 167.9 | 10.8 | 84.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1868 | I | 23.6 | Very low | 25.4 | Very low | 71 Ų | 71 | 122.3 Ų | 122.3 | 36% | 0.364 | 69% | 0.691 | S | S | . | * | trans | 89.7 | -171.8 | 154.7 | -74.7 | 168.8 | 0 | 0 | 0 | 123.7 | ||||
| 1869 | S | 21.3 | Very low | 25.4 | Very low | 34 Ų | 34 | 124 Ų | 124 | 24% | 0.238 | 70% | 0.699 | C | S | . | * | trans | -167.1 | -175.8 | -132.7 | -16.7 | 0 | 0 | 0 | 0 | 113.8 | S1905 L1906 | S1869-S1905 VanDerWaalsContact CB-O 3.29Å; S1869-S1905 WeakPolarHBondContact CB-O 3.29Å; S1869-S1905 VanDerWaalsContact OG-CA 3.24Å; S1869-S1905 WeakPolarHBondContact OG-CA 3.5Å; S1869-L1906 WeakPolarHBondContact OG-CB 3.48Å; S1869-L1906 PolarHBondContact OG-N 2.91Å | ||
| 1870 | P | 35.1 | Very low | 25.5 | Very low | 91 Ų | 91 | 120 Ų | 120 | 59% | 0.591 | 70% | 0.704 | S | S | * | * | cis | -132.7 | -113.2 | -20.6 | 40.4 | -19.2 | 0 | 0 | 0 | 115.1 | S1905 L1906 | P1870-S1905 VanDerWaalsContact CB-O 3.25Å; P1870-S1905 WeakPolarHBondContact CB-O 3.42Å; P1870-S1905 VanDerWaalsContact CG-O 3.3Å; P1870-S1905 WeakPolarHBondContact CG-O 3.16Å; P1870-L1906 HydrophobicContact CB-CG 4.27Å | ||
| 1871 | S | 25.8 | Very low | 25.8 | Very low | 97 Ų | 97 | 120.2 Ų | 120.2 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | -140 | 164.9 | -150.7 | 60 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1872 | F | 24.9 | Very low | 25.8 | Very low | 202 Ų | 202 | 121.4 Ų | 121.4 | 89% | 0.886 | 71% | 0.709 | S | S | * | * | trans | 87.4 | 160.1 | 163 | -82.1 | -76.5 | 0 | 0 | 0 | 121.1 | ||||
| 1873 | T | 23.9 | Very low | 25.9 | Very low | 125 Ų | 125 | 121.5 Ų | 121.5 | 77% | 0.767 | 71% | 0.706 | S | S | * | * | trans | -126.1 | 177.3 | -169.8 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1874 | P | 35.7 | Very low | 25.6 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | cis | -135.6 | 170.1 | 2.9 | 42.3 | -25 | 0 | 0 | 0 | 117.7 | ||||
| 1875 | S | 23.5 | Very low | 25.7 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | 42.7 | 117.1 | 148 | 61.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1876 | G | 24.5 | Very low | 25.7 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | trans | -177.8 | 147.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1877 | S | 24.5 | Very low | 25.8 | Very low | 122 Ų | 122 | 120.7 Ų | 120.7 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | trans | -129.8 | 144.7 | -162.1 | 60.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1878 | A | 24.5 | Very low | 26 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | trans | 106.1 | 122.5 | 140.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1879 | H | 25 | Very low | 26.2 | Very low | 188 Ų | 188 | 124.2 Ų | 124.2 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | trans | 77.7 | 119.9 | 147.5 | -70.4 | -60.2 | 0 | 0 | 0 | 125.1 | ||||
| 1880 | A | 27.4 | Very low | 26.4 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | 77.3 | 147.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1881 | V | 27.5 | Very low | 26.1 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | cis | -160.3 | 141 | -18.6 | 120.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1882 | D | 23.5 | Very low | 26.2 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | 45.9 | 143.1 | 153.8 | -48.8 | -16.1 | 0 | 0 | 0 | 127.7 | ||||
| 1883 | H | 26.9 | Very low | 26.6 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 80.1 | 114.1 | 146.1 | -74.2 | -59.9 | 0 | 0 | 0 | 126.5 | ||||
| 1884 | D | 25.2 | Very low | 26.7 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | 73.3 | 107.9 | 127.4 | -52.2 | -2.2 | 0 | 0 | 0 | 126.7 | |||||
| 1885 | D | 25.5 | Very low | 26.5 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | 65.3 | 137.2 | 126.4 | -69.7 | -7.6 | 0 | 0 | 0 | 129.2 | |||||
| 1886 | H | 26.7 | Very low | 26.7 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | trans | 82.5 | 114 | 151.7 | -78.1 | -71.2 | 0 | 0 | 0 | 126.2 | ||||
| 1887 | E | 24.6 | Very low | 26.8 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 81.1 | 127.5 | 135.9 | -71.5 | -167.7 | 171.8 | 0 | 0 | 128.4 | ||||
| 1888 | L | 26.8 | Very low | 26.7 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | trans | 80.2 | 121.5 | 138.1 | -69 | 166 | 0 | 0 | 0 | 126.9 | ||||
| 1889 | T | 27.4 | Very low | 26.7 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | 75.1 | 113.4 | 140.4 | 47.2 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 1890 | D | 26 | Very low | 26.6 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 62.8 | 116.5 | 130.7 | -77.3 | -32.1 | 0 | 0 | 0 | 128 | ||||
| 1891 | S | 28.9 | Very low | 26.4 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | 105.7 | 107.4 | 123.2 | 75.7 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1892 | K | 28.4 | Very low | 26.1 | Very low | 204 Ų | 204 | 148 Ų | 148 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | 61.3 | 160.5 | 137.1 | -66.7 | -178.7 | 179.2 | 174.8 | 0 | 122.1 | ||||
| 1893 | P | 32.9 | Very low | 26 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -141.5 | 173.6 | -44 | 42.1 | -25.2 | 0 | 0 | 0 | 116 | ||||
| 1894 | N | 26.1 | Very low | 25.8 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | 61.8 | 108.2 | 155.8 | -63.3 | -3.5 | 0 | 0 | 0 | 122 | ||||
| 1895 | S | 30.2 | Very low | 25.8 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | 173 | 143.4 | 98.1 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1896 | H | 28.8 | Very low | 25.6 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | 41.2 | 132 | 162.8 | -68.1 | -73.5 | 0 | 0 | 0 | 123.9 | ||||
| 1897 | S | 25.8 | Very low | 25.5 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | trans | 61.4 | 112.1 | 157.1 | 46 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1898 | D | 22.9 | Very low | 25.4 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | 47.9 | 100.7 | 147.4 | -56.2 | -10.3 | 0 | 0 | 0 | 120.1 | ||||
| 1899 | T | 24.5 | Very low | 25.3 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | -178 | 144.1 | 112 | 25.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 1900 | R | 22.9 | Very low | 25.1 | Very low | 220 Ų | 220 | 139.7 Ų | 139.7 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | trans | 66.6 | 131.1 | 140.4 | -75.1 | 178.6 | 178.6 | -178.6 | 0.4 | 123.5 | ||||
| 1901 | W | 22.5 | Very low | 25.1 | Very low | 221 Ų | 221 | 139.2 Ų | 139.2 | 84% | 0.837 | 73% | 0.728 | S | S | * | * | trans | 95.5 | 137.9 | 143.2 | -80.5 | 42.9 | 0 | 0 | 0 | 122.5 | ||||
| 1902 | L | 21.5 | Very low | 24.9 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | trans | 67.2 | 131.4 | 159.4 | -69.5 | 168 | 0 | 0 | 0 | 123.3 | ||||
| 1903 | L | 21 | Very low | 24.7 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | trans | 26.1 | 103.3 | 149.1 | -73.4 | 164.5 | 0 | 0 | 0 | 120.3 | ||||
| 1904 | Q | 22.9 | Very low | 24.3 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 62% | 0.621 | 73% | 0.727 | S | S | * | * | trans | -167.8 | 150.7 | 136.5 | -155.8 | 68 | -9.4 | 0 | 0 | 113.5 | ||||
| 1905 | S | 25.6 | Very low | 24 | Very low | 60 Ų | 60 | 142.3 Ų | 142.3 | 42% | 0.42 | 73% | 0.725 | S | S | . | * | trans | 61.2 | 161.7 | 153.2 | 62 | 0 | 0 | 0 | 0 | 120.4 | S1869 P1870 | S1869-S1905 VanDerWaalsContact CB-O 3.29Å; S1869-S1905 WeakPolarHBondContact CB-O 3.29Å; S1869-S1905 VanDerWaalsContact OG-CA 3.24Å; S1869-S1905 WeakPolarHBondContact OG-CA 3.5Å; P1870-S1905 VanDerWaalsContact CB-O 3.25Å; P1870-S1905 WeakPolarHBondContact CB-O 3.42Å; P1870-S1905 VanDerWaalsContact CG-O 3.3Å; P1870-S1905 WeakPolarHBondContact CG-O 3.16Å | ||
| 1906 | L | 22.3 | Very low | 23.7 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 61% | 0.613 | 72% | 0.721 | S | S | * | * | S | Bend | cis | 26.8 | -168.3 | -30.9 | -45.5 | 173.9 | 0 | 0 | 0 | 121.8 | S1869 P1870 H1908 | S1869-L1906 WeakPolarHBondContact OG-CB 3.48Å; S1869-L1906 PolarHBondContact OG-N 2.91Å; P1870-L1906 HydrophobicContact CB-CG 4.27Å; L1906-H1908 PolarHBondContact O-N 3.21Å |
| 1907 | F | 24.3 | Very low | 23.7 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | trans | 22.3 | 58.9 | 175.1 | -74.9 | -67.2 | 0 | 0 | 0 | 119 | ||||
| 1908 | H | 22.6 | Very low | 23.5 | Very low | 160 Ų | 160 | 148 Ų | 148 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | -111.9 | 48 | 143.1 | -139 | 47.7 | 0 | 0 | 0 | 112.1 | L1906 V1910 | L1906-H1908 PolarHBondContact O-N 3.21Å; H1908-V1910 VanDerWaalsContact C-N 3.3Å; H1908-V1910 PolarHBondContact O-N 3.24Å; H1908-V1910 VanDerWaalsContact O-N 3.16Å | ||
| 1909 | C | 23.5 | Very low | 23.7 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -75.2 | 88.6 | 153.7 | -77.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1910 | V | 23.8 | Very low | 23.8 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 52% | 0.515 | 71% | 0.712 | S | S | . | * | trans | -109.1 | 151 | 173.9 | 154.9 | 0 | 0 | 0 | 0 | 109.7 | H1908 | H1908-V1910 VanDerWaalsContact C-N 3.3Å; H1908-V1910 PolarHBondContact O-N 3.24Å; H1908-V1910 VanDerWaalsContact O-N 3.16Å | ||
| 1911 | N | 25.5 | Very low | 23.8 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | 65.8 | 91.2 | -173.4 | -56.7 | -24.3 | 0 | 0 | 0 | 112.8 | ||||
| 1912 | K | 24.9 | Very low | 24 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 82% | 0.817 | 71% | 0.706 | S | S | * | * | 59.4 | 119 | 60.6 | -61.7 | -173.1 | 173 | 178.5 | 0 | 114.9 | |||||
| 1913 | N | 24.7 | Very low | 24.2 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | 53.2 | 90.6 | 134.2 | -56.6 | 12.2 | 0 | 0 | 0 | 120 | ||||
| 1914 | Q | 23.2 | Very low | 24.3 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | 57.4 | 160.6 | 112.3 | -70.2 | -169.7 | -38.4 | 0 | 0 | 122.9 | Y1853 | Y1853-Q1914 PolarHBondContact OH-NE2 3.15Š| |||
| 1915 | I | 21.6 | Very low | 24.4 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | trans | 87.6 | 142.9 | 164.2 | -35.9 | -177.7 | 0 | 0 | 0 | 115.5 | ||||
| 1916 | I | 24.1 | Very low | 24.2 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | trans | 65.6 | 109.2 | 175.2 | -18.4 | 175.9 | 0 | 0 | 0 | 114.1 | ||||
| 1917 | Y | 27.3 | Very low | 24.2 | Very low | 224 Ų | 224 | 145.8 Ų | 145.8 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | cis | -138.4 | 162.4 | 39.4 | -96.5 | -87.3 | 0 | 0 | 0 | 115.3 | ||||
| 1918 | L | 22.6 | Very low | 24 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -105.3 | -175.9 | 172.8 | -121.2 | 89.9 | 0 | 0 | 0 | 109.7 | ||||
| 1919 | P | 27 | Very low | 24 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | -144.8 | -168 | 14.1 | 41.9 | -19.7 | 0 | 0 | 0 | 117.9 | ||||
| 1920 | T | 26.5 | Very low | 24.1 | Very low | 103 Ų | 103 | 152 Ų | 152 | 63% | 0.632 | 75% | 0.752 | S | S | * | * | trans | 70.4 | 98.4 | 149.6 | 47.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1921 | D | 22 | Very low | 24 | Very low | 149 Ų | 149 | 153 Ų | 153 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | 49.7 | 165 | 89.9 | -60.5 | -58.2 | 0 | 0 | 0 | 124.5 | |||||
| 1922 | I | 26.9 | Very low | 24.1 | Very low | 148 Ų | 148 | 155 Ų | 155 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 95.3 | 94.2 | 163 | -50.2 | -179.4 | 0 | 0 | 0 | 117 | ||||
| 1923 | K | 25.3 | Very low | 24.2 | Very low | 197 Ų | 197 | 151.8 Ų | 151.8 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | -79.5 | 138.4 | 134.1 | -67.5 | 175.1 | 179.1 | 172.7 | 0 | 108 | ||||
| 1924 | I | 24.4 | Very low | 24.4 | Very low | 148 Ų | 148 | 153.7 Ų | 153.7 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 162.2 | 157 | 148.3 | -90.7 | 157.6 | 0 | 0 | 0 | 109.9 | ||||
| 1925 | L | 25 | Very low | 24.7 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | trans | 62.2 | 122.9 | 169.4 | -83.8 | 163.7 | 0 | 0 | 0 | 118.4 | ||||
| 1926 | G | 20.7 | Very low | 25 | Very low | 55 Ų | 55 | 154.1 Ų | 154.1 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | trans | -100.3 | 174.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1927 | F | 21.5 | Very low | 25 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | 81 | 114.9 | 162.8 | -70.9 | -81.6 | 0 | 0 | 0 | 121.2 | ||||
| 1928 | K | 20.8 | Very low | 24.8 | Very low | 189 Ų | 189 | 151.2 Ų | 151.2 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | 66.7 | 116.2 | 149.4 | -63 | 174.2 | 179.7 | 174.9 | 0 | 117.9 | ||||
| 1929 | K | 23.4 | Very low | 24.8 | Very low | 186 Ų | 186 | 150.2 Ų | 150.2 | 81% | 0.809 | 74% | 0.736 | S | S | * | * | -144.5 | 139.3 | 103.6 | -88.9 | -161.5 | -178 | 170.8 | 0 | 112.2 | |||||
| 1930 | Y | 25.1 | Very low | 24.5 | Very low | 191 Ų | 191 | 153.7 Ų | 153.7 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 50.2 | 100.8 | 145.7 | -73.2 | -104.7 | 0 | 0 | 0 | 118.6 | ||||
| 1931 | T | 22.6 | Very low | 24.6 | Very low | 104 Ų | 104 | 156.1 Ų | 156.1 | 64% | 0.638 | 76% | 0.755 | S | S | * | * | 58.4 | 112.8 | 86.8 | 71.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1932 | K | 26.5 | Very low | 24.8 | Very low | 184 Ų | 184 | 154.8 Ų | 154.8 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | 179.9 | 158.3 | 83.6 | -86 | 164.4 | -174.5 | 171.2 | 0 | 106.1 | |||||
| 1933 | N | 28.1 | Very low | 24.7 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | cis | -163.8 | 147.7 | 7.1 | -121.2 | -20.2 | 0 | 0 | 0 | 108.8 | ||||
| 1934 | K | 27.4 | Very low | 24.6 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | trans | 56.8 | 133.3 | 152.4 | -62.2 | 176.3 | -179.4 | -177.3 | 0 | 117.8 | ||||
| 1935 | Q | 29.7 | Very low | 24.6 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | cis | -154.5 | 170.8 | 0.2 | -98.5 | 178.9 | 102.9 | 0 | 0 | 106 | ||||
| 1936 | K | 27.4 | Very low | 24.7 | Very low | 166 Ų | 166 | 152 Ų | 152 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | cis | -141.3 | 148.2 | 0.2 | -125.5 | 169 | 178.9 | 175.5 | 0 | 105.3 | ||||
| 1937 | Y | 25.3 | Very low | 24.7 | Very low | 194 Ų | 194 | 157.2 Ų | 157.2 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | cis | 69.2 | 116.7 | 37.3 | -69.9 | -90.9 | 0 | 0 | 0 | 114.7 | ||||
| 1938 | T | 22.5 | Very low | 24.8 | Very low | 104 Ų | 104 | 154.9 Ų | 154.9 | 64% | 0.638 | 76% | 0.755 | S | S | * | * | cis | -175.3 | 165.3 | -10.1 | 5.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1939 | I | 22.1 | Very low | 25.1 | Very low | 139 Ų | 139 | 151 Ų | 151 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 81.2 | 124.3 | 139.6 | -79.5 | 164 | 0 | 0 | 0 | 121.4 | ||||
| 1940 | M | 20.6 | Very low | 25.2 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | 69.9 | 139.9 | 147.9 | -78.8 | 173.9 | -177.1 | 0 | 0 | 123.9 | ||||
| 1941 | N | 29.1 | Very low | 25.5 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -41.3 | 147.7 | 150 | -53.5 | -12.4 | 0 | 0 | 0 | 111.4 | ||||
| 1942 | P | 26.9 | Very low | 25.7 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | -143.2 | 170.7 | 89 | 39.6 | -26.6 | 0 | 0 | 0 | 115.5 | K1944 | P1942-K1944 PolarHBondContact O-N 3.33Š| |||
| 1943 | I | 24.9 | Very low | 25.5 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | trans | -55.7 | 125.1 | 162.9 | -60 | 155.5 | 0 | 0 | 0 | 110.1 | ||||
| 1944 | K | 22.3 | Very low | 25.3 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | -176.8 | 166.2 | 140.1 | -109.2 | 172.8 | -176.8 | -177.6 | 0 | 111.9 | P1942 | P1942-K1944 PolarHBondContact O-N 3.33Š| ||
| 1945 | S | 25.8 | Very low | 25.1 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | 68.9 | 113.9 | -179 | -10.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1946 | L | 25.8 | Very low | 24.8 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | 61.9 | 104.3 | 70.4 | -61.5 | 162.9 | 0 | 0 | 0 | 109.4 | |||||
| 1947 | Q | 21.9 | Very low | 24.7 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | cis | 62.4 | 138.2 | 41.2 | -155.7 | -166.6 | 14.3 | 0 | 0 | 111.5 | ||||
| 1948 | L | 22.7 | Very low | 24.6 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | 71.2 | 141.1 | -170.6 | -45.8 | 151.5 | 0 | 0 | 0 | 111.2 | ||||
| 1949 | S | 27.4 | Very low | 24.7 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | cis | -83.6 | 126.8 | -5.7 | 39 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1950 | S | 26.1 | Very low | 24.8 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | 74.8 | 143 | 61.6 | 78.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1951 | S | 31.5 | Very low | 25.2 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | cis | -133.9 | 127.5 | 1.8 | 42.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1952 | S | 25 | Very low | 25 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | 71.1 | 119.1 | 51.3 | 88.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1953 | S | 24.1 | Very low | 25 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | 104.8 | 177.4 | 100.6 | 64.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1954 | S | 23.9 | Very low | 24.9 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | cis | -165.3 | 165.6 | 20.3 | -11.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1955 | S | 23 | Very low | 25.1 | Very low | 92 Ų | 92 | 121.8 Ų | 121.8 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | cis | 173.7 | 164.9 | -25.2 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1956 | S | 22.7 | Very low | 24.9 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | trans | 64.4 | 167.5 | 144.6 | 60.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1957 | L | 24.9 | Very low | 24.8 | Very low | 148 Ų | 148 | 121.2 Ų | 121.2 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | cis | -144 | 170 | 19 | -58.7 | 152.3 | 0 | 0 | 0 | 108.2 | ||||
| 1958 | L | 23.3 | Very low | 25.1 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | cis | -170.2 | -179.3 | -24.3 | -102.9 | 177.9 | 0 | 0 | 0 | 107.6 | ||||
| 1959 | F | 25.9 | Very low | 25.2 | Very low | 173 Ų | 173 | 121.1 Ų | 121.1 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | trans | 72.8 | 144.3 | 150.4 | -70.6 | -44.5 | 0 | 0 | 0 | 120.1 | ||||
| 1960 | D | 23.3 | Very low | 24.9 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | cis | -162.3 | 168.9 | -14.6 | -159.9 | 12.5 | 0 | 0 | 0 | 114 | ||||
| 1961 | S | 27.9 | Very low | 24.8 | Very low | 80 Ų | 80 | 129.3 Ų | 129.3 | 56% | 0.559 | 72% | 0.721 | S | S | * | * | trans | 101.7 | 116.9 | 140.8 | 81 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1962 | K | 26.1 | Very low | 24.3 | Very low | 187 Ų | 187 | 129.9 Ų | 129.9 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | 69.1 | 141.4 | 137.1 | -62.5 | 167.9 | -175.1 | 169.7 | 0 | 119.5 | ||||
| 1963 | T | 26.4 | Very low | 24.3 | Very low | 117 Ų | 117 | 131 Ų | 131 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | cis | -161.1 | 153.6 | -3.1 | 8.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1964 | N | 22.5 | Very low | 24.2 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -3.6 | 156.5 | 149.6 | -40.1 | -18.9 | 0 | 0 | 0 | 119.4 | ||||
| 1965 | V | 27.1 | Very low | 24.2 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | cis | -152.1 | 130.6 | 28.3 | 174.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1966 | S | 21.2 | Very low | 24.4 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | 73.8 | 152.5 | 77.7 | 137.6 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 1967 | T | 24.3 | Very low | 24.5 | Very low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | trans | 68.9 | 123.5 | 175.8 | 48.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1968 | K | 27.9 | Very low | 24.5 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | trans | -79.9 | 149.1 | 141.1 | -72.9 | -178.5 | 177.4 | -179 | 0 | 107.1 | ||||
| 1969 | P | 25.3 | Very low | 24.6 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | -151.3 | -160.2 | 62.9 | 43.8 | -23.2 | 0 | 0 | 0 | 114.8 | |||||
| 1970 | F | 21.1 | Very low | 24.5 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | trans | 39.6 | 113.9 | 169.3 | -73.4 | -92.4 | 0 | 0 | 0 | 119 | ||||
| 1971 | Y | 22.5 | Very low | 24.4 | Very low | 191 Ų | 191 | 136 Ų | 136 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | 62.8 | 119 | 78.9 | -103.1 | -122.8 | 0 | 0 | 0 | 114.5 | |||||
| 1972 | N | 22.8 | Very low | 24.1 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | trans | 75.6 | 154.4 | 135.2 | -70.9 | 36.2 | 0 | 0 | 0 | 118 | ||||
| 1973 | D | 23.2 | Very low | 23.9 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | cis | -157.1 | 177.2 | 1.2 | -130.4 | -26.2 | 0 | 0 | 0 | 113.8 | ||||
| 1974 | N | 22.7 | Very low | 23.6 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 71.4 | 146.6 | 163 | -57.9 | -47.2 | 0 | 0 | 0 | 115.9 | ||||
| 1975 | S | 24.2 | Very low | 23.9 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | cis | -150 | 154 | 7.4 | 26.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1976 | H | 26.4 | Very low | 23.7 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | cis | -153.3 | 145.5 | 8.4 | -120.7 | -52.6 | 0 | 0 | 0 | 111.7 | ||||
| 1977 | C | 25.5 | Very low | 23.7 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 66% | 0.655 | 72% | 0.721 | S | S | * | * | trans | 77.7 | 142.5 | 149.3 | -58.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1978 | L | 24.8 | Very low | 23.6 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | cis | -160.4 | 151 | -18.8 | -110.4 | -176.3 | 0 | 0 | 0 | 111.4 | ||||
| 1979 | F | 24.8 | Very low | 23.5 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 65% | 0.654 | 70% | 0.704 | S | S | * | * | trans | 53.2 | 132 | 153.2 | -76.6 | -46.6 | 0 | 0 | 0 | 124.8 | ||||
| 1980 | R | 23.8 | Very low | 23.5 | Very low | 206 Ų | 206 | 137 Ų | 137 | 78% | 0.777 | 71% | 0.705 | S | S | * | * | 41.1 | 123.3 | 129.5 | -69.2 | 171.7 | 174.6 | 163 | -3 | 119.3 | |||||
| 1981 | S | 21.3 | Very low | 23.7 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | cis | 78.3 | 140.4 | 48.7 | 85 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1982 | L | 21.3 | Very low | 23.8 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 80% | 0.801 | 70% | 0.699 | S | S | * | * | trans | 83.2 | 140.9 | 163.9 | -65.1 | 165.5 | 0 | 0 | 0 | 118 | ||||
| 1983 | N | 22.1 | Very low | 23.7 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | 81.5 | 115.3 | 161.1 | -57.4 | -11.5 | 0 | 0 | 0 | 119.5 | ||||
| 1984 | S | 21.2 | Very low | 23.7 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | trans | -60.1 | 170.6 | 142.8 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1985 | P | 28.9 | Very low | 23.9 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | cis | -141.9 | -172 | 20.4 | 41.1 | -19.9 | 0 | 0 | 0 | 116.2 | ||||
| 1986 | D | 21.5 | Very low | 23.9 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | 52.5 | 131.3 | 138 | -76.5 | 20.3 | 0 | 0 | 0 | 123.4 | ||||
| 1987 | N | 21.6 | Very low | 23.7 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | trans | 64.2 | 116.7 | 133.3 | -71.2 | -43.5 | 0 | 0 | 0 | 119.4 | ||||
| 1988 | N | 23.2 | Very low | 23.8 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | 140.4 | 132.6 | 88.4 | -114.4 | -30.4 | 0 | 0 | 0 | 113.2 | |||||
| 1989 | K | 25.9 | Very low | 23.6 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 67% | 0.674 | 72% | 0.715 | S | S | * | * | trans | 68.9 | 150.4 | 148.6 | -58.9 | 178.7 | 176.1 | -179.3 | 0 | 117.6 | ||||
| 1990 | H | 24.7 | Very low | 23.6 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | cis | -162 | 146 | -18.9 | -102.6 | -41.4 | 0 | 0 | 0 | 106.1 | ||||
| 1991 | S | 25.2 | Very low | 23.5 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | 164.3 | 133.3 | 120.3 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1992 | I | 24.5 | Very low | 23.7 | Very low | 147 Ų | 147 | 133 Ų | 133 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | trans | 44.2 | 90.5 | 130.9 | -53.6 | 167 | 0 | 0 | 0 | 114.9 | ||||
| 1993 | S | 21.8 | Very low | 23.8 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | 64.4 | 116.6 | 64.3 | 84 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1994 | F | 22.3 | Very low | 23.7 | Very low | 192 Ų | 192 | 131.8 Ų | 131.8 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | trans | -177.3 | 154.5 | 135.8 | -109.4 | -72.2 | 0 | 0 | 0 | 110.5 | ||||
| 1995 | I | 26.2 | Very low | 23.9 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 70% | 0.697 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 76 | 125 | 164.5 | -62.3 | 159.1 | 0 | 0 | 0 | 117.4 | ||
| 1996 | D | 24.9 | Very low | 23.5 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | trans | 41.3 | 101 | 155.2 | -52.6 | -5.8 | 0 | 0 | 0 | 118.4 | ||||
| 1997 | V | 22.8 | Very low | 23.8 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | cis | 71.6 | 90.5 | 21 | -166.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1998 | A | 26.1 | Very low | 23.8 | Very low | 84 Ų | 84 | 139 Ų | 139 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | trans | 13.7 | 102.9 | 137.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1999 | V | 22.3 | Very low | 23.8 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 61% | 0.612 | 73% | 0.732 | S | S | * | * | trans | -130.4 | 103.1 | 155 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | L2003 | V1999-L2003 HydrophobicContact CG1-CD1 4.1Š| ||
| 2000 | H | 23.5 | Very low | 23.7 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -178.2 | -14 | 137.9 | -111.9 | -62.1 | 0 | 0 | 0 | 115.8 | ||
| 2001 | V | 23 | Very low | 23.6 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -118.4 | 1 | 176 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 2002 | Q | 23.9 | Very low | 23.6 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -112.9 | 38.9 | 169.3 | -158.1 | 73 | 39.7 | 0 | 0 | 110.9 | ||
| 2003 | L | 23.9 | Very low | 23.5 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 61% | 0.613 | 73% | 0.733 | S | S | * | * | trans | -145.7 | 131.4 | 173.6 | -122.9 | 166.5 | 0 | 0 | 0 | 105.9 | V1999 | V1999-L2003 HydrophobicContact CG1-CD1 4.1Š| ||
| 2004 | M | 21.3 | Very low | 23.5 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 69.5 | 97.9 | -162.9 | -51.7 | -69.7 | -80.4 | 0 | 0 | 114.2 | ||
| 2005 | L | 24.5 | Very low | 23.6 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | S | Bend | cis | -140 | 133.9 | -11.4 | -80.1 | 92.5 | 0 | 0 | 0 | 109.4 | ||
| 2006 | S | 21.3 | Very low | 23.5 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | trans | -156.9 | 87.1 | 156.7 | 64.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 2007 | L | 26.1 | Very low | 23.5 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 93% | 0.932 | 73% | 0.728 | S | S | * | * | trans | -179.8 | 114 | 139.8 | -100.9 | 169 | 0 | 0 | 0 | 110.2 | ||||
| 2008 | Y | 23.3 | Very low | 23.6 | Very low | 204 Ų | 204 | 131.5 Ų | 131.5 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | trans | -99.7 | 103.6 | 172.3 | -138.1 | -85.3 | 0 | 0 | 0 | 108.3 | ||||
| 2009 | S | 22.2 | Very low | 23.5 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 56% | 0.559 | 73% | 0.73 | S | S | * | * | trans | 61.6 | 148.8 | 149.3 | -45.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2010 | N | 24.3 | Very low | 23.9 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | 80.2 | 135.1 | 159 | -52.4 | -19.1 | 0 | 0 | 0 | 117.6 | ||||
| 2011 | D | 22.9 | Very low | 23.8 | Very low | 109 Ų | 109 | 133 Ų | 133 | 58% | 0.583 | 73% | 0.734 | S | S | * | * | cis | -163.9 | 154.2 | -5.5 | -130.9 | -19.4 | 0 | 0 | 0 | 115.8 | ||||
| 2012 | K | 23.7 | Very low | 23.9 | Very low | 157 Ų | 157 | 135 Ų | 135 | 68% | 0.683 | 73% | 0.734 | S | S | * | * | trans | 63.8 | 123 | 147.1 | -74.1 | 154.6 | -176.1 | 141.5 | 0 | 125.4 | ||||
| 2013 | L | 23 | Very low | 24.1 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | 58.9 | 150.3 | 136.6 | -85.2 | 81 | 0 | 0 | 0 | 120.8 | ||||
| 2014 | S | 21.3 | Very low | 24.2 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | cis | -158 | 171.6 | -9.8 | 51.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 2015 | T | 24.3 | Very low | 24.5 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | 174.4 | 157.8 | 96.3 | 31.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2016 | L | 25.4 | Very low | 24.5 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | 36.6 | 104.2 | 154.1 | -79.9 | 87.1 | 0 | 0 | 0 | 119 | ||||
| 2017 | S | 23.6 | Very low | 24.8 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | 87.7 | 137.3 | 89.7 | 73 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 2018 | S | 26 | Very low | 25 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | cis | -153.6 | 135.1 | 19.3 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2019 | V | 24.5 | Very low | 25 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | 65.8 | 131.6 | 99 | -179 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 2020 | P | 30.3 | Very low | 25.1 | Very low | 101 Ų | 101 | 132 Ų | 132 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | cis | -129.8 | -176.7 | -19.7 | 39.3 | -21 | 0 | 0 | 0 | 114.5 | ||||
| 2021 | D | 22.3 | Very low | 25 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | 38.1 | 120.6 | 149.1 | -51.7 | -14.7 | 0 | 0 | 0 | 123.8 | ||||
| 2022 | E | 24.4 | Very low | 25.1 | Very low | 182 Ų | 182 | 130.2 Ų | 130.2 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | 55.7 | 113.5 | 142.9 | -63.7 | -159.8 | 152.3 | 0 | 0 | 124.8 | ||||
| 2023 | V | 27 | Very low | 25.1 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 86.2 | 147.2 | 134.9 | 178.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2024 | S | 26 | Very low | 25.3 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -86.6 | 178.6 | -174.3 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2025 | T | 28.9 | Very low | 25.4 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | cis | -137.5 | -169.9 | 14.6 | 47.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2026 | D | 23.4 | Very low | 25.5 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | 178.3 | 161 | 125.8 | -96.5 | -1.2 | 0 | 0 | 0 | 115.5 | |||||
| 2027 | T | 28.6 | Very low | 25.4 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -135.3 | 100.8 | 164 | 51 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2028 | T | 29.1 | Very low | 25.3 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | 44.6 | 128.8 | 140.9 | 59.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2029 | N | 24.2 | Very low | 25.2 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | cis | -156.7 | 165.8 | -2.3 | -78.8 | -40.4 | 0 | 0 | 0 | 106.2 | ||||
| 2030 | Y | 23.8 | Very low | 25.1 | Very low | 199 Ų | 199 | 139 Ų | 139 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | cis | -158 | 171.2 | 34.7 | -116.5 | -69.2 | 0 | 0 | 0 | 111.7 | ||||
| 2031 | T | 22.5 | Very low | 24.9 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | 65.9 | 104.9 | 158 | 47.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 2032 | A | 25.3 | Very low | 24.9 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | 60.8 | 107.2 | 126.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 2033 | K | 23.4 | Very low | 24.8 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | trans | 6.4 | 118.3 | 143.2 | -62.1 | 179.2 | 176.3 | -178.7 | 0 | 117.9 | ||||
| 2034 | N | 28 | Very low | 24.9 | Very low | 143 Ų | 143 | 139 Ų | 139 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | 179.3 | 122.8 | 105.8 | -90.5 | -22.6 | 0 | 0 | 0 | 113.9 | |||||
| 2035 | N | 23.6 | Very low | 24.7 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 51.4 | 130.3 | 135.8 | -71.8 | 2.2 | 0 | 0 | 0 | 123.8 | ||||
| 2036 | I | 25.8 | Very low | 24.3 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | 98.7 | 130.9 | 138.7 | -70.6 | 160.7 | 0 | 0 | 0 | 120 | ||||
| 2037 | N | 23.1 | Very low | 24.3 | Very low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | 82.9 | 144.4 | 164.7 | -71.8 | -16.4 | 0 | 0 | 0 | 121.3 | ||||
| 2038 | Q | 22.3 | Very low | 24.1 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | -102.6 | 142.5 | 178.5 | -61 | 170.1 | -41.4 | 0 | 0 | 110.5 | ||||
| 2039 | L | 23.4 | Very low | 24 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -164.6 | 172.9 | 155.2 | -114.5 | 161.8 | 0 | 0 | 0 | 110.4 | L2053 | L2039-L2053 HydrophobicContact CD2-CD1 4.1Š| ||
| 2040 | S | 22.8 | Very low | 24 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 47% | 0.469 | 75% | 0.752 | S | S | . | * | trans | -111.7 | 169.7 | -164.2 | 61.9 | 0 | 0 | 0 | 0 | 114.8 | L2053 | S2040-L2053 WeakPolarHBondContact OG-CD1 3.17Š| ||
| 2041 | S | 24.3 | Very low | 24.1 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | 63.8 | 113.2 | 145.6 | 54.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2042 | L | 23.3 | Very low | 24.3 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | trans | 38.1 | 124.9 | 136.6 | -72.4 | 166.1 | 0 | 0 | 0 | 121.5 | ||||
| 2043 | Q | 23 | Very low | 24 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | 81.2 | 139.2 | 134.5 | -76.5 | -179.8 | -42.7 | 0 | 0 | 122.3 | ||||
| 2044 | H | 27.3 | Very low | 24 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | trans | 27.7 | 124.2 | 148.3 | -56.5 | -66.3 | 0 | 0 | 0 | 120.5 | ||||
| 2045 | S | 23.4 | Very low | 23.7 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -144.6 | 97.4 | 155.5 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2046 | S | 20.8 | Very low | 23.5 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | S | Bend | -132.2 | 115.6 | 119.9 | 63.5 | 0 | 0 | 0 | 0 | 106.6 | |||
| 2047 | C | 23.3 | Very low | 23.3 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | S | Bend | cis | -153 | 173.5 | -0.5 | -152.1 | 0 | 0 | 0 | 0 | 111 | ||
| 2048 | D | 24.6 | Very low | 23.3 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 57% | 0.572 | 72% | 0.723 | S | S | * | * | trans | 70.4 | 101.8 | 162.9 | -74.3 | 27.3 | 0 | 0 | 0 | 120.3 | ||||
| 2049 | K | 25.5 | Very low | 23.3 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 70% | 0.7 | 71% | 0.71 | S | S | * | * | trans | 73.7 | 144.1 | 138.7 | -56.6 | 164.4 | -175.2 | 130.3 | 0 | 117.7 | ||||
| 2050 | E | 24.9 | Very low | 23.3 | Very low | 150 Ų | 150 | 138 Ų | 138 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | cis | -168.9 | 138.9 | -8.6 | -116.5 | 178.6 | -120.7 | 0 | 0 | 110.2 | ||||
| 2051 | N | 26.4 | Very low | 23.8 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 60% | 0.599 | 72% | 0.719 | S | S | * | * | trans | 61.3 | 159.8 | 159.3 | -63.2 | -67.1 | 0 | 0 | 0 | 117.6 | ||||
| 2052 | R | 25.3 | Very low | 23.8 | Very low | 215 Ų | 215 | 140.7 Ų | 140.7 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | cis | -162.2 | 165.2 | -13.9 | -114.1 | 170.4 | -154.6 | -172.5 | 2 | 110.3 | ||||
| 2053 | L | 20.5 | Very low | 24 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 56% | 0.56 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -97.4 | 164.7 | 154.3 | -104.2 | 178.6 | 0 | 0 | 0 | 110.6 | L2039 S2040 | L2039-L2053 HydrophobicContact CD2-CD1 4.1Å; S2040-L2053 WeakPolarHBondContact OG-CD1 3.17Å |
| 2054 | Y | 22.2 | Very low | 24 | Very low | 217 Ų | 217 | 137.7 Ų | 137.7 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | trans | 64.7 | 164.4 | -174.7 | -85.9 | -91.7 | 0 | 0 | 0 | 115.8 | ||||
| 2055 | S | 22 | Very low | 23.9 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | trans | 69.7 | 130.4 | -164.7 | 174.7 | 0 | 0 | 0 | 0 | 113.6 | R2057 | S2055-R2057 PolarHBondContact OG-N 3.4Å; S2055-R2057 PolarHBondContact OG-O 2.75Å | ||
| 2056 | S | 19 | Very low | 23.8 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | cis | 56.2 | 88.6 | -7.1 | 80.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2057 | R | 21.4 | Very low | 23.8 | Very low | 213 Ų | 213 | 138.8 Ų | 138.8 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | 65.8 | 160.9 | 171.1 | -53.8 | 175.7 | 170.9 | 164.8 | -4.9 | 112.8 | S2055 | S2055-R2057 PolarHBondContact OG-N 3.4Å; S2055-R2057 PolarHBondContact OG-O 2.75Å | ||
| 2058 | I | 23.2 | Very low | 23.7 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | cis | -168.2 | 146.8 | 40.8 | -141.1 | 139.3 | 0 | 0 | 0 | 104.4 | ||||
| 2059 | Q | 23.6 | Very low | 23.6 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 61% | 0.607 | 71% | 0.709 | S | S | * | * | cis | -170.5 | 163.4 | 23.7 | -152.4 | 162.6 | 4.2 | 0 | 0 | 111.1 | ||||
| 2060 | F | 22.8 | Very low | 23.4 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | 69.5 | 162 | 169.7 | -48.8 | -65.1 | 0 | 0 | 0 | 117.4 | ||||
| 2061 | A | 32.3 | Very low | 23.2 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | trans | 59.5 | 87.8 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2062 | D | 24.8 | Very low | 22.9 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | 68.6 | 124.2 | 71 | -56.6 | -41.3 | 0 | 0 | 0 | 112.4 | |||||
| 2063 | H | 27.2 | Very low | 22.7 | Very low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.755 | 69% | 0.685 | S | S | * | * | cis | -132 | 129.2 | -0.2 | -83.1 | -65.7 | 0 | 0 | 0 | 108.4 | ||||
| 2064 | S | 23.2 | Very low | 22.8 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 54% | 0.538 | 70% | 0.703 | S | S | . | * | 81 | 119.4 | 56.8 | 83.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2065 | N | 24.6 | Very low | 22.7 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | trans | 74.8 | 153.1 | 154.1 | -55.7 | -14.7 | 0 | 0 | 0 | 118.9 | ||||
| 2066 | S | 21.8 | Very low | 22.7 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | cis | 166.8 | 160.4 | -46.7 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2067 | F | 20.9 | Very low | 22.7 | Very low | 195 Ų | 195 | 139.9 Ų | 139.9 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | trans | 81.4 | 151.5 | 156.6 | -86.6 | -73.9 | 0 | 0 | 0 | 121.6 | ||||
| 2068 | L | 22.1 | Very low | 22.8 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | trans | 81.3 | 71.8 | 153.1 | -72.4 | 162 | 0 | 0 | 0 | 122.5 | ||||
| 2069 | S | 21.2 | Very low | 22.8 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | 75.1 | 150.2 | 110.8 | 78.6 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 2070 | R | 21.1 | Very low | 22.7 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 56% | 0.562 | 68% | 0.681 | S | S | * | * | trans | 83.9 | 120.9 | 149.1 | -89.6 | -173.3 | 175.3 | 172.8 | 2.4 | 122 | D995 R996 L997 | D995-R2070 PolarHBondContact O-NH2 2.9Å; R996-R2070 VanDerWaalsContact C-NH1 3.25Å; R996-R2070 PolarHBondContact O-NH1 3.13Å; L997-R2070 WeakPolarHBondContact O-CD 3.47Å; L997-R2070 PolarHBondContact O-NH1 3.15Å | ||
| 2071 | R | 21.3 | Very low | 22.9 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 49% | 0.487 | 68% | 0.678 | S | S | . | * | trans | 90.2 | 116.3 | 136.7 | -69.5 | -178.7 | 94 | 165.4 | 0.9 | 121.1 | ||||
| 2072 | E | 21.1 | Very low | 22.6 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 58% | 0.575 | 67% | 0.67 | S | S | * | * | 86.3 | 116.3 | 127.8 | -71.9 | -175.8 | -149.2 | 0 | 0 | 121.9 | |||||
| 2073 | N | 21.1 | Very low | 22.6 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 68% | 0.684 | 67% | 0.674 | S | S | * | * | 57.5 | 95.3 | 127.6 | -55.3 | -30.1 | 0 | 0 | 0 | 118.9 | |||||
| 2074 | R | 21.5 | Very low | 22.4 | Very low | 246 Ų | 246 | 130.9 Ų | 130.9 | 93% | 0.928 | 67% | 0.669 | S | S | * | * | -169.8 | 169.6 | 98.8 | -101.2 | 166.8 | -173.7 | -167 | 1.8 | 113.1 | |||||
| 2075 | T | 20.9 | Very low | 22.4 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 68% | 0.681 | S | S | * | * | trans | -77.5 | 170.6 | 170.6 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2076 | S | 20.7 | Very low | 22.4 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | trans | 65.2 | 113 | 165.8 | 61.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2077 | E | 20.5 | Very low | 22.5 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 72% | 0.715 | 68% | 0.678 | S | S | * | * | trans | 58.6 | 153 | 133.6 | -57.3 | -171.7 | 165.1 | 0 | 0 | 123.5 | ||||
| 2078 | K | 23.2 | Very low | 22.6 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 64% | 0.635 | 66% | 0.658 | S | S | * | * | trans | 83.4 | 85 | 153.2 | -72.9 | 143.9 | 178.4 | 154 | 0 | 121.4 | ||||
| 2079 | S | 22.7 | Very low | 22.7 | Very low | 77 Ų | 77 | 129.5 Ų | 129.5 | 54% | 0.538 | 66% | 0.656 | S | S | . | * | 61.2 | 148.2 | 121.2 | 62.9 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 2080 | S | 22.7 | Very low | 22.9 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 49% | 0.49 | 65% | 0.648 | S | S | . | * | trans | 69 | 139.6 | 170.5 | 42.1 | 0 | 0 | 0 | 0 | 117.2 | S2090 | S2080-S2090 PolarHBondContact OG-N 2.93Š| ||
| 2081 | L | 25.5 | Very low | 23 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 72% | 0.723 | 65% | 0.653 | S | S | * | * | cis | 84.3 | 133.1 | 26.3 | -59.1 | 171 | 0 | 0 | 0 | 114.1 | S2088 | L2081-S2088 WeakPolarHBondContact O-CB 3.38Š| ||
| 2082 | I | 25.7 | Very low | 23 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 54% | 0.538 | 67% | 0.667 | S | S | . | * | cis | -153.5 | 164.5 | 3.5 | -151.6 | 166.1 | 0 | 0 | 0 | 112.2 | ||||
| 2083 | F | 26 | Very low | 23.5 | Very low | 182 Ų | 182 | 126 Ų | 126 | 80% | 0.798 | 67% | 0.672 | S | S | * | * | trans | -136.1 | 135.1 | 158.4 | -79.7 | -103.4 | 0 | 0 | 0 | 106.4 | ||||
| 2084 | D | 23.1 | Very low | 23.5 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 66% | 0.663 | 67% | 0.671 | S | S | * | * | S | Bend | cis | -146.2 | 148 | 5.6 | -102.8 | -31.7 | 0 | 0 | 0 | 108.4 | ||
| 2085 | E | 22.3 | Very low | 24.3 | Very low | 165 Ų | 165 | 119.2 Ų | 119.2 | 77% | 0.771 | 67% | 0.666 | S | S | * | * | S | Bend | cis | -132.7 | 143.3 | 0.5 | -85.6 | 168.9 | 162.7 | 0 | 0 | 106.6 | ||
| 2086 | I | 24.5 | Very low | 24.6 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | S | Bend | cis | -150.6 | 141.8 | 6 | -99.7 | 152.7 | 0 | 0 | 0 | 109.2 | ||
| 2087 | H | 25.2 | Very low | 24.7 | Very low | 159 Ų | 159 | 120.3 Ų | 120.3 | 74% | 0.736 | 68% | 0.676 | S | S | * | * | trans | 57.8 | 96.9 | 166.3 | -65.2 | -40.6 | 0 | 0 | 0 | 122.6 | ||||
| 2088 | S | 22.5 | Very low | 25 | Very low | 61 Ų | 61 | 119.3 Ų | 119.3 | 43% | 0.427 | 68% | 0.68 | S | S | . | * | 8.4 | 147.4 | 125.3 | 56.3 | 0 | 0 | 0 | 0 | 120.9 | L2081 | L2081-S2088 WeakPolarHBondContact O-CB 3.38Š| |||
| 2089 | V | 24.9 | Very low | 25 | Very low | 118 Ų | 118 | 120 Ų | 120 | 72% | 0.715 | 69% | 0.69 | S | S | * | * | -172.9 | 134 | 78.7 | 152.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 2090 | S | 23.6 | Very low | 24.9 | Very low | 75 Ų | 75 | 120.8 Ų | 120.8 | 52% | 0.524 | 70% | 0.696 | S | S | . | * | trans | 52 | 146.2 | 148.5 | 84.8 | 0 | 0 | 0 | 0 | 127.6 | S2080 | S2080-S2090 PolarHBondContact OG-N 2.93Š| ||
| 2091 | A | 23.3 | Very low | 25 | Very low | 81 Ų | 81 | 122.1 Ų | 122.1 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | trans | 82.7 | 166.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 2092 | Q | 21.9 | Very low | 24.9 | Very low | 166 Ų | 166 | 121.8 Ų | 121.8 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | -80.6 | 171.7 | 179.8 | -81.4 | -178.1 | -54.4 | 0 | 0 | 113 | ||||
| 2093 | P | 31.2 | Very low | 24.8 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | cis | -132.3 | -170.6 | -25.5 | 35 | -15.6 | 0 | 0 | 0 | 112.8 | ||||
| 2094 | S | 21.8 | Very low | 24.7 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | 52.9 | 116.5 | 157 | 54.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2095 | T | 38.6 | Very low | 24.6 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | 35 | 126.8 | 145.3 | 58.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2096 | P | 27.3 | Very low | 24.7 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | trans | -143.1 | 166.5 | 130.2 | 37.3 | -23 | 0 | 0 | 0 | 116.4 | ||||
| 2097 | S | 22.5 | Very low | 24.4 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | trans | -82.4 | 176.4 | 165.9 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2098 | V | 26.9 | Very low | 24.3 | Very low | 132 Ų | 132 | 126 Ų | 126 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | -123.4 | 152.9 | -175.2 | 178.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 2099 | L | 22.2 | Very low | 24.3 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | trans | 90.2 | 124.7 | -172.8 | -57.5 | 171.5 | 0 | 0 | 0 | 113.8 | ||||
| 2100 | S | 21.9 | Very low | 24.1 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | cis | -164.9 | 150.3 | -3 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2101 | S | 24.6 | Very low | 24.1 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | 62.4 | 150 | 149.5 | 59.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2102 | N | 23 | Very low | 24 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -167 | 151.3 | -16.6 | -107.2 | -3.7 | 0 | 0 | 0 | 112.4 | ||||
| 2103 | Q | 24 | Very low | 23.9 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | trans | 60 | 132.2 | 140.5 | -69.3 | 176.7 | -26.8 | 0 | 0 | 124.9 | ||||
| 2104 | N | 22.9 | Very low | 23.4 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | 75.2 | 130 | 136.5 | -62.8 | -6.6 | 0 | 0 | 0 | 123.8 | ||||
| 2105 | Y | 21.7 | Very low | 23.4 | Very low | 207 Ų | 207 | 136.7 Ų | 136.7 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | trans | 34.1 | 138.6 | 139 | -82.8 | -69.8 | 0 | 0 | 0 | 124.2 | ||||
| 2106 | F | 23.7 | Very low | 22.5 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | trans | 68.2 | 111.2 | 148.3 | -89 | -74.1 | 0 | 0 | 0 | 121 | ||||
| 2107 | E | 19.8 | Very low | 22.3 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 70% | 0.696 | 70% | 0.704 | S | S | * | * | 61.7 | 141.8 | 130 | -86.3 | 173.1 | -164 | 0 | 0 | 124.6 | |||||
| 2108 | H | 22.7 | Very low | 22.3 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 66% | 0.662 | 70% | 0.695 | S | S | * | * | trans | 60.7 | 107.1 | 158.7 | -77.6 | -83.3 | 0 | 0 | 0 | 121.1 | ||||
| 2109 | E | 21.7 | Very low | 22.2 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 71% | 0.71 | 69% | 0.686 | S | S | * | * | 71 | 142.3 | 129.4 | -68.7 | -175.4 | -129.1 | 0 | 0 | 121.2 | |||||
| 2110 | N | 21.4 | Very low | 22.2 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 65% | 0.647 | 68% | 0.679 | S | S | * | * | cis | -166.8 | 160.6 | -23.3 | -129.9 | -14.2 | 0 | 0 | 0 | 111.6 | ||||
| 2111 | H | 23.6 | Very low | 22.5 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 65% | 0.648 | 68% | 0.678 | S | S | * | * | trans | 57.4 | 108 | 159.9 | -70.1 | -76.3 | 0 | 0 | 0 | 122.8 | ||||
| 2112 | E | 20.1 | Very low | 22.6 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | 88 | 132.7 | 117.9 | -79.2 | 175.8 | -138.2 | 0 | 0 | 126 | |||||
| 2113 | L | 20.6 | Very low | 22.7 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 72% | 0.723 | 68% | 0.679 | S | S | * | * | trans | 74.2 | 100.3 | 142.3 | -67.1 | 166.7 | 0 | 0 | 0 | 122.7 | ||||
| 2114 | S | 20.6 | Very low | 22.7 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 58% | 0.58 | 68% | 0.681 | S | S | * | * | trans | 84.9 | 161.5 | 132.3 | 81.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2115 | I | 21.6 | Very low | 22.8 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | trans | 89.8 | 112.3 | 158.7 | -64.2 | 166.4 | 0 | 0 | 0 | 120.6 | ||||
| 2116 | S | 20.8 | Very low | 22.8 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | trans | 36.7 | 129.9 | 144.9 | 77.9 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 2117 | A | 23.3 | Very low | 22.7 | Very low | 68 Ų | 68 | 126 Ų | 126 | 56% | 0.562 | 69% | 0.685 | S | S | * | * | 70 | 121.2 | 122.2 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 2118 | S | 21.7 | Very low | 22.8 | Very low | 93 Ų | 93 | 124 Ų | 124 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | trans | 61.7 | 155 | 142.8 | 73.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 2119 | H | 24.2 | Very low | 23 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 60% | 0.602 | 69% | 0.687 | S | S | * | * | cis | -172.6 | 158.1 | 27.5 | -144.7 | -44.6 | 0 | 0 | 0 | 112 | V322 | V322-H2119 WeakPolarHBondContact CG1-NE2 3.42Š| ||
| 2120 | S | 23 | Very low | 23.1 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | 71.1 | 158.3 | 140.9 | 77 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 2121 | V | 26.9 | Very low | 23.2 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | trans | 156.2 | 142.2 | 153.8 | 154 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 2122 | E | 27 | Very low | 23.2 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 73% | 0.729 | 70% | 0.698 | S | S | * | * | cis | -135.5 | 136.4 | 12.1 | -137.8 | 122.8 | -132.6 | 0 | 0 | 107.5 | ||||
| 2123 | K | 26.5 | Very low | 23.3 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | 68.9 | 151.5 | 65.7 | -62.1 | 175.5 | 163.5 | 173.4 | 0 | 114.4 | |||||
| 2124 | L | 22.7 | Very low | 23.3 | Very low | 146 Ų | 146 | 122.3 Ų | 122.3 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | cis | -162.8 | 171.6 | -6.8 | -116.9 | 168.9 | 0 | 0 | 0 | 111 | ||||
| 2125 | G | 24.4 | Very low | 23.3 | Very low | 62 Ų | 62 | 127.2 Ų | 127.2 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | trans | 89.7 | 110.9 | 168 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2126 | E | 21.6 | Very low | 23.4 | Very low | 183 Ų | 183 | 125.9 Ų | 125.9 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | cis | 80 | 157.5 | 42.6 | -58.4 | -165.3 | 138.9 | 0 | 0 | 115.4 | ||||
| 2127 | V | 23 | Very low | 23.5 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | 94.7 | 126.3 | -178.4 | -172.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 2128 | D | 20.8 | Very low | 23.4 | Very low | 107 Ų | 107 | 131 Ų | 131 | 57% | 0.572 | 71% | 0.714 | S | S | * | * | trans | -38 | 148.3 | 179 | -58.6 | -93 | 0 | 0 | 0 | 119.9 | W2130 | D2128-W2130 PolarHBondContact OD1-NE1 3.34Š| ||
| 2129 | N | 27.5 | Very low | 23.4 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | 175.2 | 148.8 | 116.9 | -94.1 | -68.5 | 0 | 0 | 0 | 111.2 | |||||
| 2130 | W | 23.2 | Very low | 23.5 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | -168.9 | 143.9 | -51.8 | -118.1 | 45.9 | 0 | 0 | 0 | 109 | D2128 | D2128-W2130 PolarHBondContact OD1-NE1 3.34Š| |||
| 2131 | L | 23.9 | Very low | 23.5 | Very low | 133 Ų | 133 | 134 Ų | 134 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | trans | 59.9 | 146.3 | -177.4 | -73 | 76.2 | 0 | 0 | 0 | 114.3 | ||||
| 2132 | V | 23.1 | Very low | 23.2 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | cis | -112.7 | 118.5 | 29.6 | 174.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 2133 | S | 22.4 | Very low | 23.1 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | 68.4 | 135.3 | 90.2 | -40.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 2134 | S | 20.9 | Very low | 22.9 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | -72.7 | -168.3 | 167.3 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2135 | E | 20.7 | Very low | 23 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | trans | 72.1 | 163.3 | 179.1 | -45.4 | 172.8 | -177 | 0 | 0 | 111.7 | ||||
| 2136 | V | 24.1 | Very low | 22.9 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | cis | -119.5 | 125.3 | 0.5 | -174.3 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 2137 | N | 21.9 | Very low | 23.1 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | 46 | 145.2 | 93 | -92.9 | 2.3 | 0 | 0 | 0 | 116.7 | |||||
| 2138 | E | 21.4 | Very low | 23.1 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 59% | 0.589 | 72% | 0.724 | S | S | * | * | trans | -14.9 | 128.6 | 150.7 | -53.3 | 174.7 | 132.6 | 0 | 0 | 116.1 | L2141 | E2138-L2141 WeakPolarHBondContact OE1-CD2 3.16Š| ||
| 2139 | T | 22.9 | Very low | 23.4 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | S | Bend | -114.5 | 118.7 | 129.2 | 41.8 | 0 | 0 | 0 | 0 | 107.5 | |||
| 2140 | N | 24.6 | Very low | 23.2 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 57.6 | 76.7 | 173.5 | -52.2 | -27.8 | 0 | 0 | 0 | 114.8 | ||
| 2141 | L | 23.4 | Very low | 23.1 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 56% | 0.555 | 74% | 0.741 | S | S | * | * | 53.2 | 100.7 | 84.8 | -67.3 | 166.8 | 0 | 0 | 0 | 115.5 | E2138 | E2138-L2141 WeakPolarHBondContact OE1-CD2 3.16Š| |||
| 2142 | T | 22.3 | Very low | 23.1 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | trans | 64.9 | 136.1 | 134.4 | 65.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2143 | K | 24.3 | Very low | 23.1 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 81% | 0.809 | 74% | 0.739 | S | S | * | * | trans | 65.7 | 109.4 | 149.5 | -66.5 | 162.7 | -176.7 | 176.5 | 0 | 115.1 | ||||
| 2144 | N | 22.4 | Very low | 23.3 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | -164.5 | 163.2 | 64.8 | -120.8 | 32.6 | 0 | 0 | 0 | 115.1 | |||||
| 2145 | D | 24 | Very low | 23.4 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 68 | 174.2 | 150.5 | -53.3 | -30.9 | 0 | 0 | 0 | 121.7 | ||||
| 2146 | N | 23.1 | Very low | 23.3 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | -148.9 | 154.1 | -138.8 | -107.1 | -38.5 | 0 | 0 | 0 | 114.2 | ||||
| 2147 | V | 26.1 | Very low | 23.1 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | 79.6 | 160.6 | 153.3 | 172.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2148 | S | 23.1 | Very low | 23.3 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 55% | 0.552 | 74% | 0.744 | S | S | * | * | trans | -92 | 173.9 | -167.3 | 44.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2149 | H | 25.3 | Very low | 23.5 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | cis | -164.4 | 161.2 | 43 | -91 | -76.3 | 0 | 0 | 0 | 114.8 | ||||
| 2150 | R | 23 | Very low | 23.6 | Very low | 235 Ų | 235 | 143.2 Ų | 143.2 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | 66.2 | 168.7 | 162 | -76.8 | -177.5 | 177.2 | -176.8 | 0.7 | 114.3 | ||||
| 2151 | L | 21.2 | Very low | 23.6 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | cis | -144.4 | -132.7 | 18.7 | -143.8 | 166.5 | 0 | 0 | 0 | 111.9 | ||||
| 2152 | S | 23.9 | Very low | 23.6 | Very low | 91 Ų | 91 | 147.5 Ų | 147.5 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -66 | 171.1 | 175.1 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2153 | V | 24.2 | Very low | 23.7 | Very low | 137 Ų | 137 | 150 Ų | 150 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | cis | -160.1 | 161.5 | -20.1 | 139 | 0 | 0 | 0 | 0 | 104.8 | K2155 | V2153-K2155 PolarHBondContact O-N 3.41Š| ||
| 2154 | A | 26.8 | Very low | 23.8 | Very low | 86 Ų | 86 | 146.5 Ų | 146.5 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -68.8 | 131.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2155 | K | 21.9 | Very low | 23.9 | Very low | 200 Ų | 200 | 147.3 Ų | 147.3 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | 78.1 | 107.5 | 160.4 | -56 | 172.6 | 179.9 | 179.7 | 0 | 118.3 | V2153 | V2153-K2155 PolarHBondContact O-N 3.41Š| ||
| 2156 | M | 18.8 | Very low | 23.8 | Very low | 182 Ų | 182 | 148 Ų | 148 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | -151.9 | -175.4 | 85.3 | -99.9 | -177.6 | 72.1 | 0 | 0 | 110.9 | |||||
| 2157 | S | 20.5 | Very low | 23.9 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -76 | 169.3 | -171.6 | 49.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2158 | S | 25.3 | Very low | 23.7 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 63.1 | 118.9 | 169 | 33.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2159 | E | 26.2 | Very low | 23.7 | Very low | 178 Ų | 178 | 151 Ų | 151 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | 67 | 108.2 | 67.9 | -69.7 | -175.8 | 172.4 | 0 | 0 | 113.6 | |||||
| 2160 | E | 25.6 | Very low | 23.6 | Very low | 196 Ų | 196 | 147.9 Ų | 147.9 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -166.1 | 90.5 | 146.7 | -111.5 | 165.7 | -156.6 | 0 | 0 | 112.5 | ||||
| 2161 | Y | 23.7 | Very low | 23.9 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | 22.6 | 111.5 | 150.6 | -78.7 | -102.4 | 0 | 0 | 0 | 123.8 | ||||
| 2162 | I | 22.9 | Very low | 23.9 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 76 | 156.1 | 142.6 | -43.8 | 175.2 | 0 | 0 | 0 | 119.1 | ||||
| 2163 | I | 24.4 | Very low | 23.9 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | 79.7 | 157.5 | 164.7 | 30.3 | -175.6 | 0 | 0 | 0 | 118.8 | ||||
| 2164 | P | 27.9 | Very low | 23.9 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -134.3 | -166.8 | -134.4 | 35.2 | -10.6 | 0 | 0 | 0 | 117.7 | ||||
| 2165 | I | 24 | Very low | 23.8 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 125.3 | 114.1 | 149.7 | -64.2 | 166.4 | 0 | 0 | 0 | 118.9 | ||||
| 2166 | D | 22.1 | Very low | 24 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | 52 | -168 | 139.8 | -54.6 | -16.2 | 0 | 0 | 0 | 125.6 | ||||
| 2167 | V | 24.8 | Very low | 24.3 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -149.5 | 141.3 | -130.6 | 162.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2168 | N | 22.6 | Very low | 24.6 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 72.5 | 147.8 | 158.4 | -80.7 | -20 | 0 | 0 | 0 | 123.7 | ||||
| 2169 | Q | 22.9 | Very low | 24.6 | Very low | 172 Ų | 172 | 147.6 Ų | 147.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 72.7 | 100.6 | 151.2 | -76.3 | 170.9 | -8.1 | 0 | 0 | 122.2 | ||||
| 2170 | S | 22.5 | Very low | 24.6 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | 34.7 | 153.1 | 121.6 | 59.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 2171 | P | 29.7 | Very low | 24.6 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | cis | -131.5 | -176.3 | -28 | 39.4 | -22 | 0 | 0 | 0 | 113.4 | ||||
| 2172 | E | 21.4 | Very low | 24.6 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | 43.4 | 106.4 | 169.3 | -59.3 | -151.2 | 141.6 | 0 | 0 | 120.8 | ||||
| 2173 | L | 24.8 | Very low | 24.8 | Very low | 162 Ų | 162 | 146 Ų | 146 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | 37.5 | 84.3 | 142.4 | -69.9 | 168.5 | 0 | 0 | 0 | 120 | ||||
| 2174 | S | 23.6 | Very low | 24.7 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | 90.5 | 135.5 | 125.1 | 77.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 2175 | I | 25 | Very low | 24.6 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 87.2 | 90.8 | 158.4 | -60.6 | 168.7 | 0 | 0 | 0 | 117.8 | ||||
| 2176 | N | 24.9 | Very low | 24.6 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | 86.6 | 114.1 | 129 | -73.6 | 54.3 | 0 | 0 | 0 | 123.8 | |||||
| 2177 | D | 26.3 | Very low | 24.8 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | 98.6 | 103.8 | 121.1 | -58.6 | -9.3 | 0 | 0 | 0 | 123.6 | |||||
| 2178 | H | 26.8 | Very low | 24.8 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 81.6 | 110.5 | 132.5 | -71.2 | -51.6 | 0 | 0 | 0 | 124 | ||||
| 2179 | H | 25 | Very low | 24.9 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 48.5 | 124.7 | 132.5 | -61.4 | -52.5 | 0 | 0 | 0 | 122.3 | ||||
| 2180 | Q | 26.4 | Very low | 25 | Very low | 196 Ų | 196 | 141.6 Ų | 141.6 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | -141.3 | 157.2 | 129.2 | -71.4 | -162.4 | 3.4 | 0 | 0 | 111 | |||||
| 2181 | L | 25.4 | Very low | 25.1 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -149.2 | 116.8 | 163.4 | -125.9 | -179.2 | 0 | 0 | 0 | 111 | ||||
| 2182 | K | 23.8 | Very low | 24.8 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | 51.1 | 123.5 | 166.6 | -73.3 | 173.1 | -178.8 | 177.8 | 0 | 118.7 | ||||
| 2183 | N | 25.9 | Very low | 25 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | -145.8 | 160.4 | 107.2 | -102 | -25.9 | 0 | 0 | 0 | 111.4 | |||||
| 2184 | T | 22.2 | Very low | 25.2 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | -68.1 | 148.6 | 167.8 | 46.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2185 | N | 25.9 | Very low | 25.3 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | -145.3 | 152.8 | 162.5 | -86.1 | -35.9 | 0 | 0 | 0 | 109.8 | ||||
| 2186 | D | 25.3 | Very low | 25.4 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -82.1 | 166 | 177.1 | -47.4 | -82.9 | 0 | 0 | 0 | 112.4 | ||||
| 2187 | H | 25.3 | Very low | 25.2 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 61.9 | 135.9 | 161.7 | -67 | -70.4 | 0 | 0 | 0 | 117.7 | ||||
| 2188 | D | 25.4 | Very low | 25.1 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | cis | -144.5 | 178.4 | 2.9 | -99.9 | -39.4 | 0 | 0 | 0 | 110.5 | ||||
| 2189 | G | 24.7 | Very low | 24.9 | Very low | 62 Ų | 62 | 140.9 Ų | 140.9 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | trans | -146 | 178.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2190 | S | 24.6 | Very low | 24.9 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 90.3 | 125.8 | 171.5 | 79.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2191 | N | 23.9 | Very low | 24.9 | Very low | 126 Ų | 126 | 135 Ų | 135 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | trans | 86 | 109.8 | 131.3 | -74.6 | 43.9 | 0 | 0 | 0 | 123.3 | ||||
| 2192 | D | 25.3 | Very low | 24.9 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | 115.9 | 122.9 | 101.8 | -80.1 | 2.6 | 0 | 0 | 0 | 122.9 | |||||
| 2193 | N | 25.3 | Very low | 25 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | trans | 65.2 | 128.4 | 135.6 | -60.4 | -36.7 | 0 | 0 | 0 | 121.8 | ||||
| 2194 | N | 27.4 | Very low | 25 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | 174.8 | 136.7 | 101.9 | -93.3 | -65.9 | 0 | 0 | 0 | 115.9 | |||||
| 2195 | N | 27.2 | Very low | 24.9 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | trans | 56 | 157.3 | 138.9 | -53.5 | -29 | 0 | 0 | 0 | 123.4 | ||||
| 2196 | G | 25.4 | Very low | 24.7 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | 177.5 | -20.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 2197 | W | 22.2 | Very low | 24.5 | Very low | 236 Ų | 236 | 129.4 Ų | 129.4 | 89% | 0.894 | 73% | 0.734 | S | S | * | * | trans | 24.5 | 138 | 164.2 | -89.7 | 1.3 | 0 | 0 | 0 | 125.1 | ||||
| 2198 | N | 23.2 | Very low | 24.4 | Very low | 106 Ų | 106 | 127 Ų | 127 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | trans | 94.1 | 123.6 | 131.1 | -72.5 | -11.3 | 0 | 0 | 0 | 124.4 | ||||
| 2199 | N | 23.3 | Very low | 24.4 | Very low | 131 Ų | 131 | 128 Ų | 128 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | 69.4 | 161.2 | 125.2 | -64.8 | -7.5 | 0 | 0 | 0 | 120.4 | |||||
| 2200 | T | 24.9 | Very low | 24.2 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | cis | -169.5 | 160.2 | -12 | 26.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 2201 | E | 25.5 | Very low | 24.1 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 53% | 0.533 | 73% | 0.726 | S | S | . | * | cis | -171.9 | 159 | -16.3 | -173.4 | -123.6 | 83 | 0 | 0 | 105.3 | K2203 | E2201-K2203 WeakPolarHBondContact OE1-CG 3.3Å; E2201-K2203 IonicContact OE1-NZ 3.37Å; E2201-K2203 PolarHBondContact OE1-NZ 3.47Å; E2201-K2203 IonicContact OE2-NZ 3.3Å; E2201-K2203 PolarHBondContact OE2-NZ 2.82Å | ||
| 2202 | N | 26.8 | Very low | 24 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | trans | -167.6 | 158.1 | 148.4 | -105.9 | -55.8 | 0 | 0 | 0 | 114.3 | ||||
| 2203 | K | 24.7 | Very low | 24 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | -115.5 | 155.5 | -168.4 | -52.4 | 169.2 | -177.8 | 64.1 | 0 | 112.6 | E2201 | E2201-K2203 WeakPolarHBondContact OE1-CG 3.3Å; E2201-K2203 IonicContact OE1-NZ 3.37Å; E2201-K2203 PolarHBondContact OE1-NZ 3.47Å; E2201-K2203 IonicContact OE2-NZ 3.3Å; E2201-K2203 PolarHBondContact OE2-NZ 2.82Å | ||
| 2204 | A | 25.6 | Very low | 23.9 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | 178.2 | 156.1 | 120.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 2205 | N | 21.8 | Very low | 24.3 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | -118.6 | 147.9 | -176.7 | -92.8 | -20.7 | 0 | 0 | 0 | 113.8 | ||||
| 2206 | S | 21.1 | Very low | 24.1 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | 67.5 | 119.8 | 144 | 64.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2207 | S | 20.8 | Very low | 24.1 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | 112 | 159.7 | 121.8 | 77.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 2208 | V | 23.4 | Very low | 24 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | trans | 92.4 | 107.5 | 167.6 | -171.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2209 | H | 24.5 | Very low | 24.1 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | 62.2 | 169.5 | 151.1 | -66.9 | -18.2 | 0 | 0 | 0 | 121.2 | ||||
| 2210 | S | 21.3 | Very low | 24.2 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 57% | 0.566 | 75% | 0.753 | S | S | * | * | -168.2 | 160.5 | -52.1 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 2211 | N | 22.7 | Very low | 24.1 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | 69.8 | 140.8 | 157.9 | -61.6 | -9.7 | 0 | 0 | 0 | 121.3 | ||||
| 2212 | C | 22 | Very low | 24.1 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | 63.5 | 126.4 | 147.4 | -69.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 2213 | L | 25.7 | Very low | 24 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | cis | -161.7 | 179.2 | 36.3 | -105.5 | 143.4 | 0 | 0 | 0 | 113.6 | ||||
| 2214 | L | 22.8 | Very low | 24 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | trans | -87 | -179.4 | 173 | -82.5 | 85.8 | 0 | 0 | 0 | 112 | ||||
| 2215 | P | 35.2 | Very low | 23.9 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | cis | -136.7 | -149.7 | -40.3 | 37.8 | -17.6 | 0 | 0 | 0 | 111.8 | ||||
| 2216 | N | 22.6 | Very low | 24.1 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 78.9 | 150.2 | 169.7 | -54.9 | -26.4 | 0 | 0 | 0 | 115.6 | ||||
| 2217 | T | 25.1 | Very low | 24.3 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | cis | -146.7 | 164.1 | 7.5 | -21.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2218 | C | 21.8 | Very low | 24.6 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | trans | -73.2 | 154.5 | 170.4 | -48 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2219 | L | 23.5 | Very low | 24.7 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | 176.1 | 154.5 | 117.6 | -97.7 | 163.2 | 0 | 0 | 0 | 116.6 | |||||
| 2220 | S | 26.1 | Very low | 24.7 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | 55.8 | 122.5 | 147.6 | 59.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 2221 | Y | 23.5 | Very low | 25.1 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | trans | -43.4 | 146.7 | 146 | -82.1 | -112.5 | 0 | 0 | 0 | 114.9 | ||||
| 2222 | S | 25.8 | Very low | 25.2 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | -159.7 | 160.1 | 129.1 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 2223 | C | 23.8 | Very low | 25.5 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | -112.7 | 152 | -171.2 | -51.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2224 | S | 24.8 | Very low | 25.7 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -168.7 | 144.6 | 137.5 | 49.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 2225 | L | 23.4 | Very low | 25.8 | Very low | 154 Ų | 154 | 134 Ų | 134 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -100 | 147.1 | 160.9 | -72.9 | 81.1 | 0 | 0 | 0 | 109.1 | ||||
| 2226 | T | 26.4 | Very low | 25.4 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -151.6 | 136 | 141.3 | 41.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2227 | N | 24.5 | Very low | 26 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | trans | -78.4 | 161.9 | 174.9 | -66.1 | 17.5 | 0 | 0 | 0 | 111.4 | ||||
| 2228 | N | 26.7 | Very low | 26.3 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | -156.5 | 152.4 | 120.6 | -104.8 | -1.3 | 0 | 0 | 0 | 109.2 | |||||
| 2229 | D | 26.1 | Very low | 26.9 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | trans | -108.4 | 176.6 | -156.8 | -55.6 | -64.6 | 0 | 0 | 0 | 114.6 | ||||
| 2230 | N | 25.3 | Very low | 28.3 | Very low | 152 Ų | 152 | 136 Ų | 136 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | 74.5 | 98.6 | 157.7 | -57.5 | -32.9 | 0 | 0 | 0 | 120 | ||||
| 2231 | S | 28.4 | Very low | 29.2 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | -152 | 97 | 118.5 | 65.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 2232 | D | 26.1 | Very low | 30.1 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | trans | -80.5 | 129.7 | 172.6 | -99.4 | -34.9 | 0 | 0 | 0 | 111.1 | ||||
| 2233 | S | 28.6 | Very low | 31.2 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -147.7 | 100.5 | 157.9 | 66.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2234 | Q | 28.2 | Very low | 32.4 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 91% | 0.911 | 71% | 0.709 | S | S | * | * | trans | 16.2 | 101.6 | 165.7 | -67.9 | 169.8 | -93 | 0 | 0 | 117.1 | ||||
| 2235 | C | 25.9 | Very low | 33.6 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 64% | 0.642 | 68% | 0.682 | S | S | * | * | trans | -90.6 | 118 | 157 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | Q2237 | C2235-Q2237 HydrophobicContact CB-CG 4.2Å; C2235-Q2237 PolarHBondContact O-N 3.4Å; C2235-Q2237 VanDerWaalsContact SG-CG 3.54Å | ||
| 2236 | D | 26.8 | Very low | 34.8 | Very low | 162 Ų | 162 | 122.2 Ų | 122.2 | 87% | 0.866 | 65% | 0.653 | S | S | * | * | trans | -62.7 | 105.1 | 161.6 | -77.5 | -46 | 0 | 0 | 0 | 108 | ||||
| 2237 | Q | 34.2 | Very low | 36.2 | Very low | 161 Ų | 161 | 119.3 Ų | 119.3 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | trans | -100.2 | 102.7 | 176.4 | -70.7 | -172.9 | 2.5 | 0 | 0 | 109.5 | C2235 M2239 | C2235-Q2237 HydrophobicContact CB-CG 4.2Å; C2235-Q2237 PolarHBondContact O-N 3.4Å; C2235-Q2237 VanDerWaalsContact SG-CG 3.54Å; Q2237-M2239 PolarHBondContact O-N 2.81Å; Q2237-M2239 VanDerWaalsContact O-N 3.14Å | ||
| 2238 | E | 31.8 | Very low | 37.7 | Very low | 181 Ų | 181 | 119.7 Ų | 119.7 | 85% | 0.846 | 63% | 0.63 | S | S | * | * | trans | -52.7 | 119 | 160.7 | -65.2 | -174.1 | 133.5 | 0 | 0 | 108.5 | T2240 | E2238-T2240 PolarHBondContact O-N 2.76Š| ||
| 2239 | M | 34.8 | Very low | 38.9 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | trans | -65.9 | 99.6 | 178.4 | 178.5 | 172.7 | 55.3 | 0 | 0 | 108.6 | Q2237 D2243 M2244 | Q2237-M2239 PolarHBondContact O-N 2.81Å; Q2237-M2239 VanDerWaalsContact O-N 3.14Å; M2239-D2243 HydrophobicContact CG-CB 4.17Å; M2239-M2244 HydrophobicContact CE-CG 3.73Å; M2239-M2244 HydrophobicContact CE-SD 4.03Å; M2239-M2244 HydrophobicContact CG-CG 4.15Å; M2239-M2244 HydrophobicContact SD-CG 4.15Å | ||
| 2240 | T | 52.1 | Low | 40.2 | Very low | 70 Ų | 70 | 108.4 Ų | 108.4 | 43% | 0.429 | 57% | 0.569 | S | S | . | * | trans | -55.6 | 148.1 | -174.7 | 70.1 | 0 | 0 | 0 | 0 | 111.3 | E2238 Q2242 D2243 M2244 | E2238-T2240 PolarHBondContact O-N 2.76Å; T2240-Q2242 PolarHBondContact O-N 3.34Å; T2240-D2243 PolarHBondContact O-N 2.94Å; T2240-M2244 PolarHBondContact O-N 3.36Å | ||
| 2241 | E | 45 | Very low | 41.7 | Very low | 162 Ų | 162 | 105.7 Ų | 105.7 | 76% | 0.757 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -54.5 | -24.8 | 178.4 | -61.3 | -179.5 | 133.1 | 0 | 0 | 112.6 | M2244 W2245 | E2241-M2244 HydrophobicContact CG-CE 4.17Å; E2241-M2244 PolarHBondContact O-N 3.45Å; E2241-W2245 VanDerWaalsContact O-CB 3.3Å; E2241-W2245 WeakPolarHBondContact O-CB 3.27Å; E2241-W2245 PolarHBondContact O-N 2.98Å |
| 2242 | Q | 43.7 | Very low | 42.9 | Very low | 113 Ų | 113 | 102.2 Ų | 102.2 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 175.4 | -49.4 | -171.1 | -8.7 | 0 | 0 | 112.4 | T2240 W2245 C2246 F2295 | T2240-Q2242 PolarHBondContact O-N 3.34Å; Q2242-W2245 PolarHBondContact O-N 3.26Å; Q2242-C2246 WeakPolarHBondContact O-CB 3.49Å; Q2242-C2246 PolarHBondContact O-N 2.9Å; Q2242-C2246 PolarHBondContact O-SG 3.06Å; Q2242-F2295 HydrophobicContact CG-CE2 3.94Å; Q2242-F2295 HydrophobicContact CG-CZ 4.23Å |
| 2243 | D | 48.1 | Very low | 44.2 | Very low | 51 Ų | 51 | 95.5 Ų | 95.5 | 27% | 0.273 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 177.6 | -90 | -54 | 0 | 0 | 0 | 111.3 | M2239 T2240 N2247 K2286 | M2239-D2243 HydrophobicContact CG-CB 4.17Å; T2240-D2243 PolarHBondContact O-N 2.94Å; D2243-N2247 WeakPolarHBondContact O-CB 3.49Å; D2243-N2247 PolarHBondContact O-N 3.33Å; D2243-N2247 PolarHBondContact O-ND2 2.77Å; D2243-K2286 WeakPolarHBondContact OD1-CE 3.38Å; D2243-K2286 IonicContact OD1-NZ 2.66Å; D2243-K2286 PolarHBondContact OD1-NZ 3.46Å; D2243-K2286 IonicContact OD2-NZ 2.72Å; D2243-K2286 PolarHBondContact OD2-NZ 2.92Å |
| 2244 | M | 50 | Low | 45.3 | Very low | 77 Ų | 77 | 92.1 Ų | 92.1 | 38% | 0.379 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 172.5 | -69.3 | -163.2 | -70.7 | 0 | 0 | 112.1 | M2239 T2240 E2241 N2247 Q2248 | M2239-M2244 HydrophobicContact CE-CG 3.73Å; M2239-M2244 HydrophobicContact CE-SD 4.03Å; M2239-M2244 HydrophobicContact CG-CG 4.15Å; M2239-M2244 HydrophobicContact SD-CG 4.15Å; T2240-M2244 PolarHBondContact O-N 3.36Å; E2241-M2244 HydrophobicContact CG-CE 4.17Å; E2241-M2244 PolarHBondContact O-N 3.45Å; M2244-N2247 PolarHBondContact O-N 3.47Å; M2244-Q2248 WeakPolarHBondContact O-CG 3.46Å; M2244-Q2248 PolarHBondContact O-N 3.3Å |
| 2245 | W | 49.7 | Very low | 46.5 | Very low | 70 Ų | 70 | 87.3 Ų | 87.3 | 27% | 0.265 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 179.4 | -174.5 | 92.9 | 0 | 0 | 0 | 112.3 | E2241 Q2242 N2247 Q2248 L2249 F2327 | E2241-W2245 VanDerWaalsContact O-CB 3.3Å; E2241-W2245 WeakPolarHBondContact O-CB 3.27Å; E2241-W2245 PolarHBondContact O-N 2.98Å; Q2242-W2245 PolarHBondContact O-N 3.26Å; W2245-N2247 VanDerWaalsContact C-N 3.33Å; W2245-N2247 PolarHBondContact O-N 3.05Å; W2245-Q2248 PolarHBondContact O-N 2.76Å; W2245-L2249 HydrophobicContact CH2-CD1 3.61Å; W2245-L2249 HydrophobicContact CZ2-CD1 4.08Å; W2245-L2249 HydrophobicContact CZ3-CD1 3.98Å; W2245-L2249 WeakPolarHBondContact O-CB 3.26Å; W2245-L2249 PolarHBondContact O-N 2.81Å; W2245-F2327 AromaticContact CE2-CD1 3.87Å; W2245-F2327 AromaticContact CE2-CE1 3.87Å; W2245-F2327 AromaticContact CZ2-CD1 3.62Å; W2245-F2327 HydrophobicContact CZ2-CD1 3.62Å; W2245-F2327 AromaticContact CZ2-CE1 3.73Å; W2245-F2327 HydrophobicContact CZ2-CE1 3.73Å; W2245-F2327 AromaticContact NE1-CD1 3.69Å; W2245-F2327 AromaticContact NE1-CE1 3.86Å |
| 2246 | C | 48.3 | Very low | 47.5 | Very low | 28 Ų | 28 | 85.9 Ų | 85.9 | 19% | 0.189 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.2 | -74.3 | 0 | 0 | 0 | 0 | 112 | Q2242 L2249 L2250 L2282 | Q2242-C2246 WeakPolarHBondContact O-CB 3.49Å; Q2242-C2246 PolarHBondContact O-N 2.9Å; Q2242-C2246 PolarHBondContact O-SG 3.06Å; C2246-L2249 PolarHBondContact O-N 3.07Å; C2246-L2250 WeakPolarHBondContact O-CB 3.33Å; C2246-L2250 WeakPolarHBondContact O-CG 3.42Å; C2246-L2250 PolarHBondContact O-N 2.59Å; C2246-L2282 HydrophobicContact CB-CD2 4.5Å |
| 2247 | N | 55.4 | Low | 48.4 | Very low | 77 Ų | 77 | 79.1 Ų | 79.1 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 176.6 | -68.3 | -21.6 | 0 | 0 | 0 | 111.7 | D2243 M2244 W2245 L2249 L2250 D2251 | D2243-N2247 WeakPolarHBondContact O-CB 3.49Å; D2243-N2247 PolarHBondContact O-N 3.33Å; D2243-N2247 PolarHBondContact O-ND2 2.77Å; M2244-N2247 PolarHBondContact O-N 3.47Å; W2245-N2247 VanDerWaalsContact C-N 3.33Å; W2245-N2247 PolarHBondContact O-N 3.05Å; N2247-L2249 VanDerWaalsContact C-N 3.31Å; N2247-L2249 PolarHBondContact O-N 3.15Å; N2247-L2250 PolarHBondContact O-N 2.88Å; N2247-D2251 WeakPolarHBondContact O-CB 3.22Å; N2247-D2251 PolarHBondContact O-N 3.46Å |
| 2248 | Q | 56 | Low | 48.8 | Very low | 124 Ų | 124 | 74.6 Ų | 74.6 | 58% | 0.579 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.5 | -36 | 174.9 | -74.1 | 176.9 | 9.3 | 0 | 0 | 113.1 | M2244 W2245 S2252 | M2244-Q2248 WeakPolarHBondContact O-CG 3.46Å; M2244-Q2248 PolarHBondContact O-N 3.3Å; W2245-Q2248 PolarHBondContact O-N 2.76Å; Q2248-S2252 VanDerWaalsContact O-CB 3.28Å; Q2248-S2252 WeakPolarHBondContact O-CB 3.38Å; Q2248-S2252 PolarHBondContact O-N 3.29Å; Q2248-S2252 PolarHBondContact O-OG 3.17Å |
| 2249 | L | 53.4 | Low | 49.2 | Very low | 14 Ų | 14 | 71.2 Ų | 71.2 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.2 | -40.3 | 175.4 | -178.6 | 145.8 | 0 | 0 | 0 | 111.7 | W2245 C2246 N2247 S2252 I2253 F2324 F2327 | W2245-L2249 HydrophobicContact CH2-CD1 3.61Å; W2245-L2249 HydrophobicContact CZ2-CD1 4.08Å; W2245-L2249 HydrophobicContact CZ3-CD1 3.98Å; W2245-L2249 WeakPolarHBondContact O-CB 3.26Å; W2245-L2249 PolarHBondContact O-N 2.81Å; C2246-L2249 PolarHBondContact O-N 3.07Å; N2247-L2249 VanDerWaalsContact C-N 3.31Å; N2247-L2249 PolarHBondContact O-N 3.15Å; L2249-S2252 PolarHBondContact O-N 3.41Å; L2249-I2253 HydrophobicContact CD2-CD1 3.64Å; L2249-I2253 HydrophobicContact CG-CD1 4.2Å; L2249-I2253 WeakPolarHBondContact O-CG1 3.37Å; L2249-I2253 PolarHBondContact O-N 3.06Å; L2249-F2324 HydrophobicContact CD1-CE1 4.32Å; L2249-F2327 HydrophobicContact CB-CE1 4.46Å; L2249-F2327 HydrophobicContact CB-CZ 4.44Å; L2249-F2327 HydrophobicContact CD1-CE1 3.95Å; L2249-F2327 HydrophobicContact CD1-CZ 4Å; L2249-F2327 HydrophobicContact CG-CZ 4.35Å |
| 2250 | L | 53.7 | Low | 49.3 | Very low | 28 Ų | 28 | 67.3 Ų | 67.3 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 172.3 | -80.1 | 167 | 0 | 0 | 0 | 111.6 | C2246 N2247 S2252 I2253 S2254 I2278 L2282 | C2246-L2250 WeakPolarHBondContact O-CB 3.33Å; C2246-L2250 WeakPolarHBondContact O-CG 3.42Å; C2246-L2250 PolarHBondContact O-N 2.59Å; N2247-L2250 PolarHBondContact O-N 2.88Å; L2250-S2252 VanDerWaalsContact C-N 3.29Å; L2250-S2252 PolarHBondContact O-N 3.27Å; L2250-I2253 PolarHBondContact O-N 2.85Å; L2250-I2253 VanDerWaalsContact O-N 3.16Å; L2250-S2254 WeakPolarHBondContact O-CB 3.49Å; L2250-S2254 PolarHBondContact O-N 3.31Å; L2250-S2254 PolarHBondContact O-OG 2.97Å; L2250-I2278 HydrophobicContact CD2-CB 4.45Å; L2250-I2278 HydrophobicContact CD2-CG2 3.65Å; L2250-L2282 HydrophobicContact CD1-CD1 3.85Å; L2250-L2282 HydrophobicContact CD2-CD1 4.38Å; L2250-L2282 HydrophobicContact CG-CD1 4.28Å |
| 2251 | D | 56.8 | Low | 48.6 | Very low | 96 Ų | 96 | 67.7 Ų | 67.7 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 176.6 | -77 | -25.2 | 0 | 0 | 0 | 111.6 | N2247 S2254 N2255 | N2247-D2251 WeakPolarHBondContact O-CB 3.22Å; N2247-D2251 PolarHBondContact O-N 3.46Å; D2251-S2254 PolarHBondContact O-OG 3.41Å; D2251-N2255 WeakPolarHBondContact O-CB 3.42Å; D2251-N2255 PolarHBondContact O-N 2.73Å; D2251-N2255 PolarHBondContact O-ND2 3.16Å |
| 2252 | S | 52.5 | Low | 48 | Very low | 46 Ų | 46 | 64.3 Ų | 64.3 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 175.1 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | Q2248 L2249 L2250 L2256 | Q2248-S2252 VanDerWaalsContact O-CB 3.28Å; Q2248-S2252 WeakPolarHBondContact O-CB 3.38Å; Q2248-S2252 PolarHBondContact O-N 3.29Å; Q2248-S2252 PolarHBondContact O-OG 3.17Å; L2249-S2252 PolarHBondContact O-N 3.41Å; L2250-S2252 VanDerWaalsContact C-N 3.29Å; L2250-S2252 PolarHBondContact O-N 3.27Å; S2252-L2256 WeakPolarHBondContact O-CB 3.33Å; S2252-L2256 WeakPolarHBondContact O-CD1 3.41Å; S2252-L2256 PolarHBondContact O-N 3.31Å; S2252-L2256 VanDerWaalsContact O-N 3.08Å |
| 2253 | I | 54.1 | Low | 47.5 | Very low | 27 Ų | 27 | 64.9 Ų | 64.9 | 14% | 0.138 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.9 | -39.9 | -179 | -69.7 | 173.3 | 0 | 0 | 0 | 111.4 | L2249 L2250 L2256 S2257 I2278 | L2249-I2253 HydrophobicContact CD2-CD1 3.64Å; L2249-I2253 HydrophobicContact CG-CD1 4.2Å; L2249-I2253 WeakPolarHBondContact O-CG1 3.37Å; L2249-I2253 PolarHBondContact O-N 3.06Å; L2250-I2253 PolarHBondContact O-N 2.85Å; L2250-I2253 VanDerWaalsContact O-N 3.16Å; I2253-L2256 PolarHBondContact O-N 3.4Å; I2253-S2257 WeakPolarHBondContact O-CB 3.4Å; I2253-S2257 PolarHBondContact O-N 3.02Å; I2253-I2278 HydrophobicContact CD1-CD1 4.3Å; I2253-I2278 HydrophobicContact CG2-CD1 4.11Å |
| 2254 | S | 51.9 | Low | 46.6 | Very low | 40 Ų | 40 | 66 Ų | 66 | 28% | 0.28 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.8 | -41 | 178.5 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | L2250 D2251 L2256 S2257 S2258 | L2250-S2254 WeakPolarHBondContact O-CB 3.49Å; L2250-S2254 PolarHBondContact O-N 3.31Å; L2250-S2254 PolarHBondContact O-OG 2.97Å; D2251-S2254 PolarHBondContact O-OG 3.41Å; S2254-L2256 VanDerWaalsContact C-N 3.28Å; S2254-L2256 PolarHBondContact O-N 3.12Å; S2254-S2257 PolarHBondContact O-N 3.48Å; S2254-S2257 PolarHBondContact O-OG 3.25Å; S2254-S2257 VanDerWaalsContact O-OG 3.04Å; S2254-S2258 PolarHBondContact O-N 3.1Å; S2254-S2258 VanDerWaalsContact O-N 3.12Å; S2254-S2258 PolarHBondContact O-OG 3.31Å |
| 2255 | N | 52.2 | Low | 45.5 | Very low | 94 Ų | 94 | 68.4 Ų | 68.4 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.2 | -25.8 | 173.9 | -76.3 | -65.3 | 0 | 0 | 0 | 112.8 | D2251 S2258 N2259 | D2251-N2255 WeakPolarHBondContact O-CB 3.42Å; D2251-N2255 PolarHBondContact O-N 2.73Å; D2251-N2255 PolarHBondContact O-ND2 3.16Å; N2255-S2258 PolarHBondContact O-OG 3.34Å; N2255-N2259 PolarHBondContact O-ND2 3.05Å |
| 2256 | L | 47.2 | Very low | 44.4 | Very low | 65 Ų | 65 | 69.4 Ų | 69.4 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -83.3 | -26.5 | 169.7 | -89.2 | 104.6 | 0 | 0 | 0 | 113.8 | S2252 I2253 S2254 V2260 K2319 V2323 | S2252-L2256 WeakPolarHBondContact O-CB 3.33Å; S2252-L2256 WeakPolarHBondContact O-CD1 3.41Å; S2252-L2256 PolarHBondContact O-N 3.31Å; S2252-L2256 VanDerWaalsContact O-N 3.08Å; I2253-L2256 PolarHBondContact O-N 3.4Å; S2254-L2256 VanDerWaalsContact C-N 3.28Å; S2254-L2256 PolarHBondContact O-N 3.12Å; L2256-V2260 WeakPolarHBondContact O-CB 3.39Å; L2256-V2260 WeakPolarHBondContact O-CG2 3.37Å; L2256-V2260 PolarHBondContact O-N 3.43Å; L2256-K2319 HydrophobicContact CD2-CB 4.43Å; L2256-V2323 HydrophobicContact CD1-CG2 3.64Å; L2256-V2323 HydrophobicContact CD2-CG2 3.62Å; L2256-V2323 HydrophobicContact CG-CG2 4.21Å |
| 2257 | S | 46.3 | Very low | 43.7 | Very low | 20 Ų | 20 | 72.9 Ų | 72.9 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -71 | -44.9 | 177.4 | 80.1 | 0 | 0 | 0 | 0 | 111.4 | I2253 S2254 N2259 V2260 F2261 | I2253-S2257 WeakPolarHBondContact O-CB 3.4Å; I2253-S2257 PolarHBondContact O-N 3.02Å; S2254-S2257 PolarHBondContact O-N 3.48Å; S2254-S2257 PolarHBondContact O-OG 3.25Å; S2254-S2257 VanDerWaalsContact O-OG 3.04Å; S2257-N2259 VanDerWaalsContact C-N 3.31Å; S2257-N2259 PolarHBondContact O-N 3.48Å; S2257-V2260 PolarHBondContact O-N 3.35Å; S2257-F2261 VanDerWaalsContact O-CD2 3.3Å; S2257-F2261 WeakPolarHBondContact O-CD2 3.38Å; S2257-F2261 PolarHBondContact O-N 2.96Å; S2257-F2261 VanDerWaalsContact O-N 3.15Å |
| 2258 | S | 42.7 | Very low | 42.8 | Very low | 65 Ų | 65 | 75.9 Ų | 75.9 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.3 | -41.3 | 175 | 60.3 | 0 | 0 | 0 | 0 | 112.3 | S2254 N2255 V2260 S2262 | S2254-S2258 PolarHBondContact O-N 3.1Å; S2254-S2258 VanDerWaalsContact O-N 3.12Å; S2254-S2258 PolarHBondContact O-OG 3.31Å; N2255-S2258 PolarHBondContact O-OG 3.34Å; S2258-V2260 PolarHBondContact O-N 3.46Å; S2258-S2262 WeakPolarHBondContact O-CB 3.48Å; S2258-S2262 PolarHBondContact O-N 2.9Å; S2258-S2262 PolarHBondContact O-OG 2.99Å |
| 2259 | N | 39 | Very low | 42.1 | Very low | 110 Ų | 110 | 75.4 Ų | 75.4 | 59% | 0.588 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -80 | 10.8 | 175.1 | -73.6 | -61.3 | 0 | 0 | 0 | 114.9 | N2255 S2257 K2319 | N2255-N2259 PolarHBondContact O-ND2 3.05Å; S2257-N2259 VanDerWaalsContact C-N 3.31Å; S2257-N2259 PolarHBondContact O-N 3.48Å; N2259-K2319 PolarHBondContact O-NZ 3.25Å |
| 2260 | V | 38.6 | Very low | 41.4 | Very low | 36 Ų | 36 | 77 Ų | 77 | 22% | 0.218 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -115.1 | -38.8 | 174.4 | 162 | 0 | 0 | 0 | 0 | 112.1 | L2256 S2257 S2258 I2316 K2319 | L2256-V2260 WeakPolarHBondContact O-CB 3.39Å; L2256-V2260 WeakPolarHBondContact O-CG2 3.37Å; L2256-V2260 PolarHBondContact O-N 3.43Å; S2257-V2260 PolarHBondContact O-N 3.35Å; S2258-V2260 PolarHBondContact O-N 3.46Å; V2260-I2316 HydrophobicContact CG1-CG1 4.07Å; V2260-K2319 HydrophobicContact CG2-CD 3.37Å; V2260-K2319 VanDerWaalsContact CG2-NZ 3.35Å |
| 2261 | F | 36 | Very low | 40.8 | Very low | 79 Ų | 79 | 77.3 Ų | 77.3 | 35% | 0.346 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -90.7 | -12.9 | -176.1 | -66.2 | -68.2 | 0 | 0 | 0 | 114.4 | S2257 C2263 S2264 I2316 | S2257-F2261 VanDerWaalsContact O-CD2 3.3Å; S2257-F2261 WeakPolarHBondContact O-CD2 3.38Å; S2257-F2261 PolarHBondContact O-N 2.96Å; S2257-F2261 VanDerWaalsContact O-N 3.15Å; F2261-C2263 PolarHBondContact O-N 3.42Å; F2261-S2264 PolarHBondContact O-N 3.14Å; F2261-S2264 VanDerWaalsContact O-N 3.15Å; F2261-I2316 HydrophobicContact CE1-CD1 4.44Å; F2261-I2316 HydrophobicContact CZ-CD1 4.24Å |
| 2262 | S | 33.4 | Very low | 40.2 | Very low | 91 Ų | 91 | 77.7 Ų | 77.7 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.7 | 178.1 | 54.5 | 0 | 0 | 0 | 0 | 115.5 | S2258 | S2258-S2262 WeakPolarHBondContact O-CB 3.48Å; S2258-S2262 PolarHBondContact O-N 2.9Å; S2258-S2262 PolarHBondContact O-OG 2.99Å |
| 2263 | C | 33.1 | Very low | 39.9 | Very low | 124 Ų | 124 | 79.4 Ų | 79.4 | 84% | 0.838 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 5.4 | 176.1 | -63.6 | 0 | 0 | 0 | 0 | 115.1 | F2261 | F2261-C2263 PolarHBondContact O-N 3.42Š|
| 2264 | S | 29.1 | Very low | 39.5 | Very low | 74 Ų | 74 | 79.9 Ų | 79.9 | 52% | 0.517 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -143.4 | 107.9 | 175.1 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | F2261 S2266 | F2261-S2264 PolarHBondContact O-N 3.14Å; F2261-S2264 VanDerWaalsContact O-N 3.15Å; S2264-S2266 PolarHBondContact O-N 3.4Å |
| 2265 | S | 26.2 | Very low | 39.4 | Very low | 129 Ų | 129 | 80.1 Ų | 80.1 | 90% | 0.902 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -74.1 | 61.4 | -177.9 | 45.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 2266 | S | 26.6 | Very low | 39.3 | Very low | 91 Ų | 91 | 80.9 Ų | 80.9 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 177.8 | 97.5 | 160.2 | 23.6 | 0 | 0 | 0 | 0 | 110.7 | S2264 | S2264-S2266 PolarHBondContact O-N 3.4Š|
| 2267 | H | 34.6 | Very low | 39.4 | Very low | 101 Ų | 101 | 80.8 Ų | 80.8 | 47% | 0.468 | 47% | 0.473 | S | S | . | . | trans | 170.8 | 70.9 | 147.8 | -87.9 | -45.2 | 0 | 0 | 0 | 112.7 | Y402 N2269 | Y402-H2267 AromaticContact CE1-CE1 3.71Å; H2267-N2269 PolarHBondContact O-N 3.16Å | ||
| 2268 | D | 35.4 | Very low | 39.6 | Very low | 140 Ų | 140 | 81 Ų | 81 | 75% | 0.749 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -10.2 | 178.1 | -48.7 | -48.7 | 0 | 0 | 0 | 113.7 | S2271 | D2268-S2271 PolarHBondContact O-OG 3.14Š|
| 2269 | N | 41.2 | Very low | 40 | Very low | 113 Ų | 113 | 82.6 Ų | 82.6 | 60% | 0.604 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -77.3 | -17 | -179.4 | -68 | -10.6 | 0 | 0 | 0 | 114.1 | H2267 | H2267-N2269 PolarHBondContact O-N 3.16Å |
| 2270 | N | 38.6 | Very low | 40.5 | Very low | 49 Ų | 49 | 82.1 Ų | 82.1 | 26% | 0.262 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -83 | -35.6 | -169.3 | -71.3 | 2.6 | 0 | 0 | 0 | 113.2 | Y402 T2273 | Y402-N2270 PolarHBondContact OH-OD1 3.38Å; Y402-N2270 VanDerWaalsContact OH-OD1 3.06Å; N2270-T2273 PolarHBondContact O-N 3.32Å; N2270-T2273 PolarHBondContact O-OG1 3.32Å |
| 2271 | S | 40.6 | Very low | 40.8 | Very low | 34 Ų | 34 | 81.9 Ų | 81.9 | 24% | 0.238 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -56.2 | -56.5 | 176.8 | 41.9 | 0 | 0 | 0 | 0 | 111 | D2268 T2273 L2274 D2275 | D2268-S2271 PolarHBondContact O-OG 3.14Å; S2271-T2273 PolarHBondContact O-N 3.25Å; S2271-L2274 PolarHBondContact O-N 3.1Å; S2271-D2275 PolarHBondContact O-N 3.46Å |
| 2272 | N | 44.4 | Very low | 41.4 | Very low | 103 Ų | 103 | 80 Ų | 80 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.4 | -31.1 | -173.4 | -57.1 | 10.5 | 0 | 0 | 0 | 112.1 | E2276 | N2272-E2276 VanDerWaalsContact O-CB 3.23Å; N2272-E2276 WeakPolarHBondContact O-CB 3.23Å; N2272-E2276 WeakPolarHBondContact O-CG 3.27Å; N2272-E2276 PolarHBondContact O-N 3.04Å |
| 2273 | T | 46.7 | Very low | 42.2 | Very low | 82 Ų | 82 | 80.3 Ų | 80.3 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.1 | -33.2 | 176.4 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | N2270 S2271 I2277 | N2270-T2273 PolarHBondContact O-N 3.32Å; N2270-T2273 PolarHBondContact O-OG1 3.32Å; S2271-T2273 PolarHBondContact O-N 3.25Å; T2273-I2277 WeakPolarHBondContact O-CB 3.49Å; T2273-I2277 VanDerWaalsContact O-CD1 3.28Å; T2273-I2277 WeakPolarHBondContact O-CD1 3.36Å; T2273-I2277 WeakPolarHBondContact O-CG1 3.44Å; T2273-I2277 PolarHBondContact O-N 3.07Å |
| 2274 | L | 45.6 | Very low | 42.9 | Very low | 38 Ų | 38 | 78.6 Ų | 78.6 | 20% | 0.199 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -73.4 | -45.6 | 175.1 | -173.5 | 64.1 | 0 | 0 | 0 | 110.2 | S2271 E2276 I2277 I2278 L2306 | S2271-L2274 PolarHBondContact O-N 3.1Å; L2274-E2276 PolarHBondContact O-N 3.34Å; L2274-I2277 PolarHBondContact O-N 3.17Å; L2274-I2277 VanDerWaalsContact O-N 3.14Å; L2274-I2278 HydrophobicContact CD1-CD1 4.31Å; L2274-I2278 HydrophobicContact CG-CD1 3.99Å; L2274-I2278 WeakPolarHBondContact O-CG1 3.37Å; L2274-I2278 PolarHBondContact O-N 2.85Å; L2274-L2306 HydrophobicContact CD1-CD2 4.4Å |
| 2275 | D | 49.8 | Very low | 43.7 | Very low | 44 Ų | 44 | 79.6 Ų | 79.6 | 24% | 0.235 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 179.9 | -58 | -34.8 | 0 | 0 | 0 | 111.2 | S2271 I2277 I2278 H2279 | S2271-D2275 PolarHBondContact O-N 3.46Å; D2275-I2277 VanDerWaalsContact C-N 3.34Å; D2275-I2277 PolarHBondContact O-N 2.97Å; D2275-I2278 PolarHBondContact O-N 3.37Å; D2275-H2279 WeakPolarHBondContact O-CB 3.37Å; D2275-H2279 PolarHBondContact O-N 3.3Å |
| 2276 | E | 50.9 | Low | 44.6 | Very low | 110 Ų | 110 | 79.7 Ų | 79.7 | 51% | 0.514 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 171.4 | -93.1 | -160.4 | -155.2 | 0 | 0 | 113.2 | N2272 L2274 K2280 | N2272-E2276 VanDerWaalsContact O-CB 3.23Å; N2272-E2276 WeakPolarHBondContact O-CB 3.23Å; N2272-E2276 WeakPolarHBondContact O-CG 3.27Å; N2272-E2276 PolarHBondContact O-N 3.04Å; L2274-E2276 PolarHBondContact O-N 3.34Å; E2276-K2280 VanDerWaalsContact O-CB 3.32Å; E2276-K2280 WeakPolarHBondContact O-CB 3.32Å; E2276-K2280 WeakPolarHBondContact O-CD 3.42Å; E2276-K2280 VanDerWaalsContact O-CG 3.25Å; E2276-K2280 WeakPolarHBondContact O-CG 3.32Å; E2276-K2280 PolarHBondContact O-N 2.97Å; E2276-K2280 IonicContact OE2-NZ 2.79Å; E2276-K2280 PolarHBondContact OE2-NZ 3.24Å |
| 2277 | I | 48.3 | Very low | 45.4 | Very low | 64 Ų | 64 | 81.4 Ų | 81.4 | 33% | 0.328 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.2 | -40 | -177.6 | -71.6 | 168.4 | 0 | 0 | 0 | 110.4 | T2273 L2274 D2275 K2280 A2281 L2306 | T2273-I2277 WeakPolarHBondContact O-CB 3.49Å; T2273-I2277 VanDerWaalsContact O-CD1 3.28Å; T2273-I2277 WeakPolarHBondContact O-CD1 3.36Å; T2273-I2277 WeakPolarHBondContact O-CG1 3.44Å; T2273-I2277 PolarHBondContact O-N 3.07Å; L2274-I2277 PolarHBondContact O-N 3.17Å; L2274-I2277 VanDerWaalsContact O-N 3.14Å; D2275-I2277 VanDerWaalsContact C-N 3.34Å; D2275-I2277 PolarHBondContact O-N 2.97Å; I2277-K2280 PolarHBondContact O-N 3.09Å; I2277-A2281 PolarHBondContact O-N 3.1Å; I2277-L2306 HydrophobicContact CG2-CD1 3.8Å |
| 2278 | I | 50.4 | Low | 45.6 | Very low | 23 Ų | 23 | 85.6 Ų | 85.6 | 12% | 0.118 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66 | -44.4 | 174.4 | -62.3 | 169.1 | 0 | 0 | 0 | 110.1 | L2250 I2253 L2274 D2275 K2280 A2281 L2282 | L2250-I2278 HydrophobicContact CD2-CB 4.45Å; L2250-I2278 HydrophobicContact CD2-CG2 3.65Å; I2253-I2278 HydrophobicContact CD1-CD1 4.3Å; I2253-I2278 HydrophobicContact CG2-CD1 4.11Å; L2274-I2278 HydrophobicContact CD1-CD1 4.31Å; L2274-I2278 HydrophobicContact CG-CD1 3.99Å; L2274-I2278 WeakPolarHBondContact O-CG1 3.37Å; L2274-I2278 PolarHBondContact O-N 2.85Å; D2275-I2278 PolarHBondContact O-N 3.37Å; I2278-K2280 PolarHBondContact O-N 2.89Å; I2278-A2281 PolarHBondContact O-N 2.71Å; I2278-L2282 HydrophobicContact CG2-CD1 4.16Å; I2278-L2282 WeakPolarHBondContact O-CG 3.35Å; I2278-L2282 PolarHBondContact O-N 3.33Å |
| 2279 | H | 51.5 | Low | 45.5 | Very low | 99 Ų | 99 | 88.5 Ų | 88.5 | 46% | 0.458 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 172.9 | -100.3 | -74.6 | 0 | 0 | 0 | 112.6 | D2275 A2281 L2282 I2283 | D2275-H2279 WeakPolarHBondContact O-CB 3.37Å; D2275-H2279 PolarHBondContact O-N 3.3Å; H2279-A2281 PolarHBondContact O-N 3.33Å; H2279-L2282 PolarHBondContact O-N 3.18Å; H2279-I2283 WeakPolarHBondContact O-CB 3.16Å; H2279-I2283 WeakPolarHBondContact O-CD1 3.41Å; H2279-I2283 WeakPolarHBondContact O-CG1 3.48Å; H2279-I2283 PolarHBondContact O-N 3.01Å |
| 2280 | K | 48.9 | Very low | 45 | Very low | 101 Ų | 101 | 85.8 Ų | 85.8 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.4 | -81.4 | 162.8 | -179.3 | 156.6 | 0 | 112 | E2276 I2277 I2278 I2283 T2284 | E2276-K2280 VanDerWaalsContact O-CB 3.32Å; E2276-K2280 WeakPolarHBondContact O-CB 3.32Å; E2276-K2280 WeakPolarHBondContact O-CD 3.42Å; E2276-K2280 VanDerWaalsContact O-CG 3.25Å; E2276-K2280 WeakPolarHBondContact O-CG 3.32Å; E2276-K2280 PolarHBondContact O-N 2.97Å; E2276-K2280 IonicContact OE2-NZ 2.79Å; E2276-K2280 PolarHBondContact OE2-NZ 3.24Å; I2277-K2280 PolarHBondContact O-N 3.09Å; I2278-K2280 PolarHBondContact O-N 2.89Å; K2280-I2283 PolarHBondContact O-N 3.43Å; K2280-T2284 PolarHBondContact O-N 2.87Å; K2280-T2284 PolarHBondContact O-OG1 2.89Å; K2280-T2284 VanDerWaalsContact O-OG1 3.05Å |
| 2281 | A | 45.8 | Very low | 44.6 | Very low | 31 Ų | 31 | 89.5 Ų | 89.5 | 26% | 0.256 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I2277 I2278 H2279 I2283 T2284 Q2285 I2302 | I2277-A2281 PolarHBondContact O-N 3.1Å; I2278-A2281 PolarHBondContact O-N 2.71Å; H2279-A2281 PolarHBondContact O-N 3.33Å; A2281-I2283 PolarHBondContact O-N 3.49Å; A2281-T2284 WeakPolarHBondContact CA-OG1 3.43Å; A2281-T2284 PolarHBondContact O-N 3.2Å; A2281-T2284 PolarHBondContact O-OG1 3.03Å; A2281-Q2285 PolarHBondContact O-N 3.39Å; A2281-Q2285 VanDerWaalsContact O-N 3.1Å; A2281-I2302 HydrophobicContact CB-CG2 4.44Å |
| 2282 | L | 48 | Very low | 44.3 | Very low | 39 Ų | 39 | 95.8 Ų | 95.8 | 20% | 0.204 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 176.4 | -69 | 168.5 | 0 | 0 | 0 | 112.5 | C2246 L2250 I2278 H2279 Q2285 K2286 | C2246-L2282 HydrophobicContact CB-CD2 4.5Å; L2250-L2282 HydrophobicContact CD1-CD1 3.85Å; L2250-L2282 HydrophobicContact CD2-CD1 4.38Å; L2250-L2282 HydrophobicContact CG-CD1 4.28Å; I2278-L2282 HydrophobicContact CG2-CD1 4.16Å; I2278-L2282 WeakPolarHBondContact O-CG 3.35Å; I2278-L2282 PolarHBondContact O-N 3.33Å; H2279-L2282 PolarHBondContact O-N 3.18Å; L2282-Q2285 WeakPolarHBondContact O-CB 3.25Å; L2282-Q2285 PolarHBondContact O-N 2.81Å; L2282-Q2285 VanDerWaalsContact O-N 3.12Å; L2282-K2286 PolarHBondContact O-N 2.78Å |
| 2283 | I | 50.6 | Low | 43.7 | Very low | 97 Ų | 97 | 99.5 Ų | 99.5 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 175.8 | -70.4 | 162.9 | 0 | 0 | 0 | 111.1 | H2279 K2280 A2281 Q2285 K2286 N2287 | H2279-I2283 WeakPolarHBondContact O-CB 3.16Å; H2279-I2283 WeakPolarHBondContact O-CD1 3.41Å; H2279-I2283 WeakPolarHBondContact O-CG1 3.48Å; H2279-I2283 PolarHBondContact O-N 3.01Å; K2280-I2283 PolarHBondContact O-N 3.43Å; A2281-I2283 PolarHBondContact O-N 3.49Å; I2283-Q2285 PolarHBondContact O-N 3.15Å; I2283-K2286 PolarHBondContact O-N 3.5Å; I2283-N2287 PolarHBondContact O-N 3.39Å |
| 2284 | T | 47.3 | Very low | 42.9 | Very low | 89 Ų | 89 | 102.2 Ų | 102.2 | 55% | 0.546 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -28.3 | 171.6 | 37.3 | 0 | 0 | 0 | 0 | 113.1 | K2280 A2281 | K2280-T2284 PolarHBondContact O-N 2.87Å; K2280-T2284 PolarHBondContact O-OG1 2.89Å; K2280-T2284 VanDerWaalsContact O-OG1 3.05Å; A2281-T2284 WeakPolarHBondContact CA-OG1 3.43Å; A2281-T2284 PolarHBondContact O-N 3.2Å; A2281-T2284 PolarHBondContact O-OG1 3.03Å |
| 2285 | Q | 46.8 | Very low | 42.3 | Very low | 94 Ų | 94 | 105 Ų | 105 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -77.5 | -41.8 | 177.6 | -161.6 | 169.8 | -3 | 0 | 0 | 112.1 | A2281 L2282 I2283 N2287 F2288 | A2281-Q2285 PolarHBondContact O-N 3.39Å; A2281-Q2285 VanDerWaalsContact O-N 3.1Å; L2282-Q2285 WeakPolarHBondContact O-CB 3.25Å; L2282-Q2285 PolarHBondContact O-N 2.81Å; L2282-Q2285 VanDerWaalsContact O-N 3.12Å; I2283-Q2285 PolarHBondContact O-N 3.15Å; Q2285-N2287 PolarHBondContact O-N 3.38Å; Q2285-F2288 PolarHBondContact O-N 3.25Å; Q2285-F2288 VanDerWaalsContact O-N 3.16Å |
| 2286 | K | 44.8 | Very low | 42 | Very low | 131 Ų | 131 | 107 Ų | 107 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.3 | -17.8 | 176.6 | -71.7 | -156.8 | 174.7 | -161.3 | 0 | 114.4 | D2243 L2282 I2283 | D2243-K2286 WeakPolarHBondContact OD1-CE 3.38Å; D2243-K2286 IonicContact OD1-NZ 2.66Å; D2243-K2286 PolarHBondContact OD1-NZ 3.46Å; D2243-K2286 IonicContact OD2-NZ 2.72Å; D2243-K2286 PolarHBondContact OD2-NZ 2.92Å; L2282-K2286 PolarHBondContact O-N 2.78Å; I2283-K2286 PolarHBondContact O-N 3.5Å |
| 2287 | N | 44.5 | Very low | 41.8 | Very low | 127 Ų | 127 | 104 Ų | 104 | 68% | 0.679 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -10.9 | 176.1 | -71.7 | -16.1 | 0 | 0 | 0 | 114.3 | I2283 Q2285 K2289 | I2283-N2287 PolarHBondContact O-N 3.39Å; Q2285-N2287 PolarHBondContact O-N 3.38Å; N2287-K2289 PolarHBondContact O-N 2.85Å |
| 2288 | F | 37.8 | Very low | 41.5 | Very low | 189 Ų | 189 | 104.1 Ų | 104.1 | 83% | 0.829 | 55% | 0.549 | S | S | * | . | trans | -92.2 | 66.5 | 176 | -88.4 | -85.7 | 0 | 0 | 0 | 112.3 | Q2285 G2290 | Q2285-F2288 PolarHBondContact O-N 3.25Å; Q2285-F2288 VanDerWaalsContact O-N 3.16Å; F2288-G2290 PolarHBondContact O-N 2.95Å; F2288-G2290 VanDerWaalsContact O-N 3.16Å | ||
| 2289 | K | 32.8 | Very low | 41.5 | Very low | 202 Ų | 202 | 103.9 Ų | 103.9 | 88% | 0.878 | 55% | 0.549 | S | S | * | . | trans | -79.5 | 88.8 | 168.3 | -79.4 | -171.3 | 173.5 | -177.3 | 0 | 110.8 | N2287 | N2287-K2289 PolarHBondContact O-N 2.85Š| ||
| 2290 | G | 31.5 | Very low | 41.5 | Very low | 56 Ų | 56 | 102.1 Ų | 102.1 | 58% | 0.577 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -162.1 | 99.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F2288 | F2288-G2290 PolarHBondContact O-N 2.95Å; F2288-G2290 VanDerWaalsContact O-N 3.16Å |
| 2291 | S | 30.9 | Very low | 41.6 | Very low | 127 Ų | 127 | 98.8 Ų | 98.8 | 89% | 0.888 | 53% | 0.527 | S | S | * | . | trans | 61.2 | 143.5 | -178.8 | 60.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2292 | I | 34.3 | Very low | 42 | Very low | 165 Ų | 165 | 101.2 Ų | 101.2 | 85% | 0.846 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -103.1 | 158.1 | -172.5 | -63.8 | 168.3 | 0 | 0 | 0 | 109.3 | ||
| 2293 | Q | 30 | Very low | 42.2 | Very low | 181 Ų | 181 | 101.4 Ų | 101.4 | 85% | 0.846 | 54% | 0.535 | S | S | * | . | trans | 84.9 | 65.6 | -176.3 | -53.1 | -173.3 | -5.3 | 0 | 0 | 116.2 | ||||
| 2294 | L | 30.5 | Very low | 42.4 | Very low | 140 Ų | 140 | 97.7 Ų | 97.7 | 73% | 0.733 | 52% | 0.519 | S | S | * | . | trans | -163.9 | 104.7 | 141.2 | -107.8 | 157.7 | 0 | 0 | 0 | 110.5 | N2296 | L2294-N2296 VanDerWaalsContact C-N 3.29Å; L2294-N2296 PolarHBondContact O-N 3.21Å | ||
| 2295 | F | 33.1 | Very low | 42.7 | Very low | 95 Ų | 95 | 96.6 Ų | 96.6 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | trans | -69.7 | 95.3 | 156.3 | -110.9 | -89 | 0 | 0 | 0 | 106.3 | Q2242 E2331 | Q2242-F2295 HydrophobicContact CG-CE2 3.94Å; Q2242-F2295 HydrophobicContact CG-CZ 4.23Å; F2295-E2331 HydrophobicContact CB-CG 4.41Å; F2295-E2331 WeakPolarHBondContact CD1-OE1 3.41Å | ||
| 2296 | N | 43.8 | Very low | 43.1 | Very low | 86 Ų | 86 | 93.6 Ų | 93.6 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | trans | -76.1 | 144.5 | 177.9 | -81.1 | -42.6 | 0 | 0 | 0 | 110 | L2294 C2298 | L2294-N2296 VanDerWaalsContact C-N 3.29Å; L2294-N2296 PolarHBondContact O-N 3.21Å; N2296-C2298 HydrophobicContact CB-CB 4.1Å; N2296-C2298 PolarHBondContact O-N 3.35Å | ||
| 2297 | A | 45.6 | Very low | 43.6 | Very low | 49 Ų | 49 | 88.3 Ų | 88.3 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 6.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T2301 | A2297-T2301 WeakPolarHBondContact O-CB 3.19Å; A2297-T2301 WeakPolarHBondContact O-CG2 3.25Å; A2297-T2301 PolarHBondContact O-N 3.23Å; A2297-T2301 PolarHBondContact O-OG1 3.02Å |
| 2298 | C | 43 | Very low | 44 | Very low | 66 Ų | 66 | 82.5 Ų | 82.5 | 45% | 0.446 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55.2 | -42.1 | 171.2 | -68.6 | 0 | 0 | 0 | 0 | 113.1 | N2296 T2301 I2302 | N2296-C2298 HydrophobicContact CB-CB 4.1Å; N2296-C2298 PolarHBondContact O-N 3.35Å; C2298-T2301 VanDerWaalsContact CA-OG1 3.26Å; C2298-T2301 WeakPolarHBondContact CA-OG1 3.48Å; C2298-T2301 PolarHBondContact O-N 2.91Å; C2298-T2301 PolarHBondContact O-OG1 2.91Å; C2298-I2302 VanDerWaalsContact O-CB 3.24Å; C2298-I2302 WeakPolarHBondContact O-CB 3.27Å; C2298-I2302 WeakPolarHBondContact O-CD1 3.43Å; C2298-I2302 WeakPolarHBondContact O-CG1 3.33Å; C2298-I2302 PolarHBondContact O-N 2.92Å |
| 2299 | T | 49.3 | Very low | 44.6 | Very low | 18 Ų | 18 | 77.1 Ų | 77.1 | 11% | 0.11 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.5 | -48.9 | -179.6 | 47.5 | 0 | 0 | 0 | 0 | 111.5 | I2302 I2303 | T2299-I2302 PolarHBondContact O-N 3.49Å; T2299-I2303 WeakPolarHBondContact O-CG1 3.4Å; T2299-I2303 PolarHBondContact O-N 2.83Å; T2299-I2303 VanDerWaalsContact O-N 3.14Å |
| 2300 | Y | 51.9 | Low | 45.3 | Very low | 61 Ų | 61 | 73 Ų | 73 | 24% | 0.239 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 175.2 | -72.6 | -71.8 | 0 | 0 | 0 | 112.7 | A2304 F2324 | Y2300-A2304 WeakPolarHBondContact O-CB 3.47Å; Y2300-A2304 PolarHBondContact O-N 2.69Å; Y2300-F2324 HydrophobicContact CE1-CD1 4.13Å; Y2300-F2324 HydrophobicContact CE1-CE1 4.33Å |
| 2301 | T | 52.4 | Low | 46.5 | Very low | 32 Ų | 32 | 74.6 Ų | 74.6 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70.7 | -35.6 | 176.6 | 46.3 | 0 | 0 | 0 | 0 | 113 | R144 A2297 C2298 A2304 D2305 | R144-T2301 HydrophobicContact CG-CG2 4.1Å; A2297-T2301 WeakPolarHBondContact O-CB 3.19Å; A2297-T2301 WeakPolarHBondContact O-CG2 3.25Å; A2297-T2301 PolarHBondContact O-N 3.23Å; A2297-T2301 PolarHBondContact O-OG1 3.02Å; C2298-T2301 VanDerWaalsContact CA-OG1 3.26Å; C2298-T2301 WeakPolarHBondContact CA-OG1 3.48Å; C2298-T2301 PolarHBondContact O-N 2.91Å; C2298-T2301 PolarHBondContact O-OG1 2.91Å; T2301-A2304 PolarHBondContact O-N 3.04Å; T2301-D2305 VanDerWaalsContact O-CB 3.23Å; T2301-D2305 WeakPolarHBondContact O-CB 3.49Å; T2301-D2305 VanDerWaalsContact O-CG 3.27Å; T2301-D2305 PolarHBondContact O-N 3.29Å |
| 2302 | I | 53.1 | Low | 47.8 | Very low | 82 Ų | 82 | 70.9 Ų | 70.9 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 173.6 | -74.9 | 162.9 | 0 | 0 | 0 | 110.6 | A2281 C2298 T2299 A2304 D2305 L2306 | A2281-I2302 HydrophobicContact CB-CG2 4.44Å; C2298-I2302 VanDerWaalsContact O-CB 3.24Å; C2298-I2302 WeakPolarHBondContact O-CB 3.27Å; C2298-I2302 WeakPolarHBondContact O-CD1 3.43Å; C2298-I2302 WeakPolarHBondContact O-CG1 3.33Å; C2298-I2302 PolarHBondContact O-N 2.92Å; T2299-I2302 PolarHBondContact O-N 3.49Å; I2302-A2304 VanDerWaalsContact C-N 3.32Å; I2302-A2304 PolarHBondContact O-N 3.05Å; I2302-D2305 PolarHBondContact O-N 3.3Å; I2302-L2306 WeakPolarHBondContact O-CB 3.22Å; I2302-L2306 PolarHBondContact O-N 3.2Å |
| 2303 | I | 53.3 | Low | 49 | Very low | 42 Ų | 42 | 64.3 Ų | 64.3 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.1 | -36.4 | -179.9 | -62.7 | 171.3 | 0 | 0 | 0 | 110.9 | T2299 L2306 L2307 F2324 | T2299-I2303 WeakPolarHBondContact O-CG1 3.4Å; T2299-I2303 PolarHBondContact O-N 2.83Å; T2299-I2303 VanDerWaalsContact O-N 3.14Å; I2303-L2306 WeakPolarHBondContact O-CB 3.25Å; I2303-L2306 PolarHBondContact O-N 2.86Å; I2303-L2307 HydrophobicContact CG2-CD1 4.45Å; I2303-L2307 WeakPolarHBondContact O-CG 3.11Å; I2303-L2307 PolarHBondContact O-N 2.88Å; I2303-F2324 HydrophobicContact CD1-CZ 3.92Å; I2303-F2324 HydrophobicContact CG2-CE2 3.84Å; I2303-F2324 HydrophobicContact CG2-CZ 3.87Å |
| 2304 | A | 53.8 | Low | 50.8 | Low | 20 Ų | 20 | 57.2 Ų | 57.2 | 17% | 0.165 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.3 | -34.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L147 Y2300 T2301 I2302 L2307 G2308 | L147-A2304 HydrophobicContact CB-CB 4.29Å; L147-A2304 HydrophobicContact CD1-CB 3.5Å; L147-A2304 HydrophobicContact CD2-CB 3.93Å; L147-A2304 HydrophobicContact CG-CB 4.09Å; Y2300-A2304 WeakPolarHBondContact O-CB 3.47Å; Y2300-A2304 PolarHBondContact O-N 2.69Å; T2301-A2304 PolarHBondContact O-N 3.04Å; I2302-A2304 VanDerWaalsContact C-N 3.32Å; I2302-A2304 PolarHBondContact O-N 3.05Å; A2304-L2307 CarbonylContact O-C 3.56Å; A2304-L2307 PolarHBondContact O-N 3.06Å; A2304-G2308 PolarHBondContact O-N 3.05Å |
| 2305 | D | 53 | Low | 52.2 | Low | 66 Ų | 66 | 53.5 Ų | 53.5 | 35% | 0.353 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.7 | -34 | 170 | -76.4 | -25.6 | 0 | 0 | 0 | 111 | R144 T2301 I2302 G2308 S2309 | R144-D2305 IonicContact CZ-OD1 3.44Å; R144-D2305 IonicContact CZ-OD2 3.49Å; R144-D2305 IonicContact NH1-OD1 3.76Å; R144-D2305 PolarHBondContact NH1-OD1 3.25Å; R144-D2305 IonicContact NH1-OD2 2.69Å; R144-D2305 PolarHBondContact NH1-OD2 3.41Å; R144-D2305 IonicContact NH2-OD1 2.75Å; R144-D2305 IonicContact NH2-OD2 3.92Å; R144-D2305 PolarHBondContact NH2-OD2 2.93Å; T2301-D2305 VanDerWaalsContact O-CB 3.23Å; T2301-D2305 WeakPolarHBondContact O-CB 3.49Å; T2301-D2305 VanDerWaalsContact O-CG 3.27Å; T2301-D2305 PolarHBondContact O-N 3.29Å; I2302-D2305 PolarHBondContact O-N 3.3Å; D2305-G2308 CarbonylContact O-C 3.49Å; D2305-G2308 PolarHBondContact O-N 3.15Å; D2305-G2308 VanDerWaalsContact O-N 3.16Å; D2305-S2309 VanDerWaalsContact O-CB 3.29Å; D2305-S2309 WeakPolarHBondContact O-CB 3.41Å; D2305-S2309 PolarHBondContact O-N 3.21Å; D2305-S2309 PolarHBondContact O-OG 3.15Å |
| 2306 | L | 55.5 | Low | 53.8 | Low | 31 Ų | 31 | 50.5 Ų | 50.5 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 171.6 | -156 | 166.8 | 0 | 0 | 0 | 110.8 | L2274 I2277 I2302 I2303 G2308 S2309 Y2310 F2312 | L2274-L2306 HydrophobicContact CD1-CD2 4.4Å; I2277-L2306 HydrophobicContact CG2-CD1 3.8Å; I2302-L2306 WeakPolarHBondContact O-CB 3.22Å; I2302-L2306 PolarHBondContact O-N 3.2Å; I2303-L2306 WeakPolarHBondContact O-CB 3.25Å; I2303-L2306 PolarHBondContact O-N 2.86Å; L2306-G2308 PolarHBondContact O-N 3.04Å; L2306-S2309 WeakPolarHBondContact CA-OG 3.3Å; L2306-S2309 PolarHBondContact O-N 3.35Å; L2306-S2309 PolarHBondContact O-OG 3Å; L2306-Y2310 HydrophobicContact CD2-CD2 4.07Å; L2306-Y2310 HydrophobicContact CG-CD2 4.45Å; L2306-Y2310 PolarHBondContact O-N 3.31Å; L2306-Y2310 VanDerWaalsContact O-N 3.16Å; L2306-F2312 HydrophobicContact CD2-CE2 3.78Å; L2306-F2312 HydrophobicContact CD2-CZ 3.76Å |
| 2307 | L | 55.8 | Low | 54.8 | Low | 20 Ų | 20 | 46.8 Ų | 46.8 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.6 | -19.2 | 171 | -72.5 | 171.2 | 0 | 0 | 0 | 114.3 | I2303 A2304 F2312 R2317 I2320 | I2303-L2307 HydrophobicContact CG2-CD1 4.45Å; I2303-L2307 WeakPolarHBondContact O-CG 3.11Å; I2303-L2307 PolarHBondContact O-N 2.88Å; A2304-L2307 CarbonylContact O-C 3.56Å; A2304-L2307 PolarHBondContact O-N 3.06Å; L2307-F2312 HydrophobicContact CD2-CD2 4.01Å; L2307-F2312 HydrophobicContact CD2-CE2 4.26Å; L2307-R2317 HydrophobicContact CD2-CG 4.33Å; L2307-I2320 HydrophobicContact CD1-CG2 4Å; L2307-I2320 HydrophobicContact CD2-CD1 3.99Å; L2307-I2320 HydrophobicContact CD2-CG2 4.26Å |
| 2308 | G | 52.6 | Low | 55.9 | Low | 5 Ų | 5 | 45.1 Ų | 45.1 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -96.2 | -10.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S286 A2304 D2305 L2306 | S286-G2308 WeakPolarHBondContact CB-O 3.49Å; S286-G2308 PolarHBondContact OG-O 2.87Å; A2304-G2308 PolarHBondContact O-N 3.05Å; D2305-G2308 CarbonylContact O-C 3.49Å; D2305-G2308 PolarHBondContact O-N 3.15Å; D2305-G2308 VanDerWaalsContact O-N 3.16Å; L2306-G2308 PolarHBondContact O-N 3.04Å |
| 2309 | S | 50.5 | Low | 57 | Low | 75 Ų | 75 | 45.3 Ų | 45.3 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -112.9 | -21.6 | -178.1 | 52.6 | 0 | 0 | 0 | 0 | 114 | D2305 L2306 | D2305-S2309 VanDerWaalsContact O-CB 3.29Å; D2305-S2309 WeakPolarHBondContact O-CB 3.41Å; D2305-S2309 PolarHBondContact O-N 3.21Å; D2305-S2309 PolarHBondContact O-OG 3.15Å; L2306-S2309 WeakPolarHBondContact CA-OG 3.3Å; L2306-S2309 PolarHBondContact O-N 3.35Å; L2306-S2309 PolarHBondContact O-OG 3Å |
| 2310 | Y | 48.3 | Very low | 57.8 | Low | 115 Ų | 115 | 46.3 Ų | 46.3 | 45% | 0.451 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -110.3 | 131.5 | 176 | -75.8 | -91.2 | 0 | 0 | 0 | 112.4 | L2306 F2312 | L2306-Y2310 HydrophobicContact CD2-CD2 4.07Å; L2306-Y2310 HydrophobicContact CG-CD2 4.45Å; L2306-Y2310 PolarHBondContact O-N 3.31Å; L2306-Y2310 VanDerWaalsContact O-N 3.16Å; Y2310-F2312 VanDerWaalsContact C-N 3.27Å; Y2310-F2312 VanDerWaalsContact CB-CE2 3.48Å; Y2310-F2312 HydrophobicContact CG-CE2 4.48Å; Y2310-F2312 HydrophobicContact CG-CZ 4.44Å; Y2310-F2312 VanDerWaalsContact O-CD2 3.32Å; Y2310-F2312 WeakPolarHBondContact O-CD2 3.38Å; Y2310-F2312 PolarHBondContact O-N 3.28Å |
| 2311 | P | 55.4 | Low | 58.5 | Low | 90 Ų | 90 | 44 Ų | 44 | 58% | 0.584 | 24% | 0.239 | S | C | * | . | trans | -79.8 | 68.3 | -177.1 | 33.6 | -36.7 | 0 | 0 | 0 | 112.4 | ||||
| 2312 | F | 57.8 | Low | 59.2 | Low | 50 Ų | 50 | 43.3 Ų | 43.3 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | trans | -67.2 | 149.4 | 171.6 | -60.1 | -72.6 | 0 | 0 | 0 | 111.6 | L2306 L2307 Y2310 I2316 R2317 | L2306-F2312 HydrophobicContact CD2-CE2 3.78Å; L2306-F2312 HydrophobicContact CD2-CZ 3.76Å; L2307-F2312 HydrophobicContact CD2-CD2 4.01Å; L2307-F2312 HydrophobicContact CD2-CE2 4.26Å; Y2310-F2312 VanDerWaalsContact C-N 3.27Å; Y2310-F2312 VanDerWaalsContact CB-CE2 3.48Å; Y2310-F2312 HydrophobicContact CG-CE2 4.48Å; Y2310-F2312 HydrophobicContact CG-CZ 4.44Å; Y2310-F2312 VanDerWaalsContact O-CD2 3.32Å; Y2310-F2312 WeakPolarHBondContact O-CD2 3.38Å; Y2310-F2312 PolarHBondContact O-N 3.28Å; F2312-I2316 HydrophobicContact CB-CB 4.33Å; F2312-I2316 HydrophobicContact CB-CG2 4.03Å; F2312-I2316 HydrophobicContact CD1-CG2 4.11Å; F2312-I2316 HydrophobicContact CG-CG2 4.25Å; F2312-R2317 HydrophobicContact CB-CG 3.66Å; F2312-R2317 VanDerWaalsContact O-CD 3.29Å; F2312-R2317 WeakPolarHBondContact O-CD 3.46Å | ||
| 2313 | S | 61.2 | Low | 59.7 | Low | 26 Ų | 26 | 40.3 Ų | 40.3 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | trans | -65.3 | 158.7 | 174.6 | 68.5 | 0 | 0 | 0 | 0 | 111.9 | S2315 I2316 R2317 | S2313-S2315 VanDerWaalsContact C-N 3.28Å; S2313-S2315 PolarHBondContact O-N 3.37Å; S2313-I2316 PolarHBondContact O-N 3.22Å; S2313-I2316 VanDerWaalsContact O-N 3.12Å; S2313-I2316 WeakPolarHBondContact OG-CD1 3.37Å; S2313-I2316 WeakPolarHBondContact OG-CG1 3.31Å; S2313-R2317 WeakPolarHBondContact O-CG 3.44Å; S2313-R2317 PolarHBondContact O-N 3.17Å | ||
| 2314 | R | 67.3 | Low | 60.1 | Low | 33 Ų | 33 | 39.1 Ų | 39.1 | 13% | 0.125 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -37.9 | -176 | -164.7 | 172.9 | 149.6 | -82.3 | -37.6 | 111.3 | D154 A294 E298 I2316 R2317 T2318 | D154-R2314 PolarHBondContact O-NH2 3.02Å; A294-R2314 HydrophobicContact CB-CB 3.97Å; A294-R2314 HydrophobicContact CB-CG 4.36Å; E298-R2314 WeakPolarHBondContact OE2-CA 3.45Å; E298-R2314 VanDerWaalsContact OE2-CB 3.27Å; E298-R2314 WeakPolarHBondContact OE2-CB 3.45Å; E298-R2314 PolarHBondContact OE2-N 3.08Å; R2314-I2316 PolarHBondContact O-N 3.33Å; R2314-R2317 PolarHBondContact O-N 3.32Å; R2314-T2318 HydrophobicContact CG-CG2 4.43Å; R2314-T2318 WeakPolarHBondContact O-CG2 3.46Å; R2314-T2318 PolarHBondContact O-N 3.49Å; R2314-T2318 PolarHBondContact O-OG1 3.41Å |
| 2315 | S | 60.5 | Low | 60.6 | Low | 61 Ų | 61 | 39.9 Ų | 39.9 | 43% | 0.427 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.6 | -45.1 | 173.9 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | S2313 T2318 K2319 | S2313-S2315 VanDerWaalsContact C-N 3.28Å; S2313-S2315 PolarHBondContact O-N 3.37Å; S2315-T2318 WeakPolarHBondContact CA-OG1 3.23Å; S2315-T2318 PolarHBondContact O-OG1 3.42Å; S2315-K2319 PolarHBondContact O-N 2.88Å |
| 2316 | I | 64.8 | Low | 60.8 | Low | 33 Ų | 33 | 46.1 Ų | 46.1 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -48.8 | 176.5 | -66.9 | 170.8 | 0 | 0 | 0 | 110.4 | V2260 F2261 F2312 S2313 R2314 T2318 K2319 I2320 | V2260-I2316 HydrophobicContact CG1-CG1 4.07Å; F2261-I2316 HydrophobicContact CE1-CD1 4.44Å; F2261-I2316 HydrophobicContact CZ-CD1 4.24Å; F2312-I2316 HydrophobicContact CB-CB 4.33Å; F2312-I2316 HydrophobicContact CB-CG2 4.03Å; F2312-I2316 HydrophobicContact CD1-CG2 4.11Å; F2312-I2316 HydrophobicContact CG-CG2 4.25Å; S2313-I2316 PolarHBondContact O-N 3.22Å; S2313-I2316 VanDerWaalsContact O-N 3.12Å; S2313-I2316 WeakPolarHBondContact OG-CD1 3.37Å; S2313-I2316 WeakPolarHBondContact OG-CG1 3.31Å; R2314-I2316 PolarHBondContact O-N 3.33Å; I2316-T2318 VanDerWaalsContact C-N 3.33Å; I2316-T2318 PolarHBondContact O-N 3.29Å; I2316-K2319 PolarHBondContact O-N 3.08Å; I2316-I2320 HydrophobicContact CG2-CD1 3.67Å; I2316-I2320 HydrophobicContact CG2-CG1 4.41Å; I2316-I2320 WeakPolarHBondContact O-CG1 3.46Å; I2316-I2320 PolarHBondContact O-N 2.93Å |
| 2317 | R | 66.6 | Low | 60.9 | Low | 8 Ų | 8 | 46.3 Ų | 46.3 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 179.3 | -66.6 | 175.9 | 64.4 | -90.9 | -13.1 | 111.3 | D154 L2307 F2312 S2313 R2314 Q2321 | D154-R2317 IonicContact OD1-CZ 3.16Å; D154-R2317 IonicContact OD1-NH1 3.36Å; D154-R2317 PolarHBondContact OD1-NH1 3.43Å; D154-R2317 IonicContact OD1-NH2 3.12Å; D154-R2317 IonicContact OD2-CZ 2.9Å; D154-R2317 IonicContact OD2-NH1 2.65Å; D154-R2317 PolarHBondContact OD2-NH1 3.36Å; D154-R2317 IonicContact OD2-NH2 2.68Å; D154-R2317 PolarHBondContact OD2-NH2 2.76Å; L2307-R2317 HydrophobicContact CD2-CG 4.33Å; F2312-R2317 HydrophobicContact CB-CG 3.66Å; F2312-R2317 VanDerWaalsContact O-CD 3.29Å; F2312-R2317 WeakPolarHBondContact O-CD 3.46Å; S2313-R2317 WeakPolarHBondContact O-CG 3.44Å; S2313-R2317 PolarHBondContact O-N 3.17Å; R2314-R2317 PolarHBondContact O-N 3.32Å; R2317-Q2321 VanDerWaalsContact O-CB 3.3Å; R2317-Q2321 WeakPolarHBondContact O-CB 3.44Å; R2317-Q2321 WeakPolarHBondContact O-CG 3.22Å; R2317-Q2321 PolarHBondContact O-N 3Å |
| 2318 | T | 68.2 | Low | 61 | Low | 13 Ų | 13 | 52.9 Ų | 52.9 | 8% | 0.08 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 174.3 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | D154 R2314 S2315 I2316 S2322 | D154-T2318 HydrophobicContact CB-CG2 3.92Å; D154-T2318 WeakPolarHBondContact O-CG2 3.38Å; R2314-T2318 HydrophobicContact CG-CG2 4.43Å; R2314-T2318 WeakPolarHBondContact O-CG2 3.46Å; R2314-T2318 PolarHBondContact O-N 3.49Å; R2314-T2318 PolarHBondContact O-OG1 3.41Å; S2315-T2318 WeakPolarHBondContact CA-OG1 3.23Å; S2315-T2318 PolarHBondContact O-OG1 3.42Å; I2316-T2318 VanDerWaalsContact C-N 3.33Å; I2316-T2318 PolarHBondContact O-N 3.29Å; T2318-S2322 VanDerWaalsContact O-CB 3.25Å; T2318-S2322 WeakPolarHBondContact O-CB 3.14Å; T2318-S2322 PolarHBondContact O-N 3.28Å; T2318-S2322 PolarHBondContact O-OG 3.2Å |
| 2319 | K | 64.8 | Low | 61.4 | Low | 70 Ų | 70 | 53.9 Ų | 53.9 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.2 | -49.8 | 178.7 | -81.6 | -175.2 | 171.5 | -166.5 | 0 | 110.6 | L2256 N2259 V2260 S2315 I2316 Q2321 S2322 V2323 | L2256-K2319 HydrophobicContact CD2-CB 4.43Å; N2259-K2319 PolarHBondContact O-NZ 3.25Å; V2260-K2319 HydrophobicContact CG2-CD 3.37Å; V2260-K2319 VanDerWaalsContact CG2-NZ 3.35Å; S2315-K2319 PolarHBondContact O-N 2.88Å; I2316-K2319 PolarHBondContact O-N 3.08Å; K2319-Q2321 PolarHBondContact O-N 3.1Å; K2319-S2322 PolarHBondContact O-N 3.22Å; K2319-S2322 VanDerWaalsContact O-N 3.09Å; K2319-S2322 PolarHBondContact O-OG 2.85Å; K2319-V2323 PolarHBondContact O-N 3.08Å; K2319-V2323 VanDerWaalsContact O-N 3.1Å |
| 2320 | I | 66.1 | Low | 61.9 | Low | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.205 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 177.2 | -65.2 | 169.7 | 0 | 0 | 0 | 110.7 | L2307 I2316 S2322 V2323 F2324 | L2307-I2320 HydrophobicContact CD1-CG2 4Å; L2307-I2320 HydrophobicContact CD2-CD1 3.99Å; L2307-I2320 HydrophobicContact CD2-CG2 4.26Å; I2316-I2320 HydrophobicContact CG2-CD1 3.67Å; I2316-I2320 HydrophobicContact CG2-CG1 4.41Å; I2316-I2320 WeakPolarHBondContact O-CG1 3.46Å; I2316-I2320 PolarHBondContact O-N 2.93Å; I2320-S2322 VanDerWaalsContact C-N 3.26Å; I2320-S2322 PolarHBondContact O-N 3.21Å; I2320-V2323 WeakPolarHBondContact O-CB 3.3Å; I2320-V2323 PolarHBondContact O-N 3.09Å; I2320-F2324 HydrophobicContact CG2-CD2 4.21Å; I2320-F2324 HydrophobicContact CG2-CE2 3.72Å; I2320-F2324 WeakPolarHBondContact O-CD2 3.47Å; I2320-F2324 PolarHBondContact O-N 3.48Å |
| 2321 | Q | 67.9 | Low | 62.7 | Low | 11 Ų | 11 | 52.3 Ų | 52.3 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.5 | -24.1 | 177.7 | -70.6 | 168.2 | 8.8 | 0 | 0 | 114.4 | R151 D154 L155 R2317 K2319 | R151-Q2321 HydrophobicContact CB-CG 4.49Å; R151-Q2321 HydrophobicContact CG-CB 4.2Å; R151-Q2321 HydrophobicContact CG-CG 4.23Å; D154-Q2321 PolarHBondContact OD2-NE2 2.94Å; L155-Q2321 HydrophobicContact CD2-CB 4.32Å; R2317-Q2321 VanDerWaalsContact O-CB 3.3Å; R2317-Q2321 WeakPolarHBondContact O-CB 3.44Å; R2317-Q2321 WeakPolarHBondContact O-CG 3.22Å; R2317-Q2321 PolarHBondContact O-N 3Å; K2319-Q2321 PolarHBondContact O-N 3.1Å |
| 2322 | S | 66.5 | Low | 63.3 | Low | 18 Ų | 18 | 49.8 Ų | 49.8 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -78.5 | -27.7 | 175.7 | 74.1 | 0 | 0 | 0 | 0 | 113 | T2318 K2319 I2320 F2324 L2325 Y2326 | T2318-S2322 VanDerWaalsContact O-CB 3.25Å; T2318-S2322 WeakPolarHBondContact O-CB 3.14Å; T2318-S2322 PolarHBondContact O-N 3.28Å; T2318-S2322 PolarHBondContact O-OG 3.2Å; K2319-S2322 PolarHBondContact O-N 3.22Å; K2319-S2322 VanDerWaalsContact O-N 3.09Å; K2319-S2322 PolarHBondContact O-OG 2.85Å; I2320-S2322 VanDerWaalsContact C-N 3.26Å; I2320-S2322 PolarHBondContact O-N 3.21Å; S2322-F2324 VanDerWaalsContact C-N 3.3Å; S2322-L2325 WeakPolarHBondContact O-CB 3.34Å; S2322-L2325 PolarHBondContact O-N 3.5Å; S2322-Y2326 WeakPolarHBondContact O-CD2 3.48Å |
| 2323 | V | 62.9 | Low | 63.9 | Low | 19 Ų | 19 | 48.1 Ų | 48.1 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 169.1 | 172.3 | 0 | 0 | 0 | 0 | 109.5 | L2256 K2319 I2320 L2325 Y2326 F2327 | L2256-V2323 HydrophobicContact CD1-CG2 3.64Å; L2256-V2323 HydrophobicContact CD2-CG2 3.62Å; L2256-V2323 HydrophobicContact CG-CG2 4.21Å; K2319-V2323 PolarHBondContact O-N 3.08Å; K2319-V2323 VanDerWaalsContact O-N 3.1Å; I2320-V2323 WeakPolarHBondContact O-CB 3.3Å; I2320-V2323 PolarHBondContact O-N 3.09Å; V2323-L2325 PolarHBondContact O-N 3.43Å; V2323-Y2326 PolarHBondContact O-N 3.44Å; V2323-F2327 HydrophobicContact CG1-CE2 3.91Å; V2323-F2327 WeakPolarHBondContact O-CD2 3.46Å |
| 2324 | F | 63.7 | Low | 64.4 | Low | 18 Ų | 18 | 50.9 Ų | 50.9 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 29.7 | 169.2 | -60.6 | -61 | 0 | 0 | 0 | 115.1 | W113 R151 L2249 Y2300 I2303 I2320 S2322 F2327 | W113-F2324 VanDerWaalsContact CZ2-O 3.27Å; W113-F2324 WeakPolarHBondContact CZ2-O 3.44Å; R151-F2324 PolarHBondContact NH2-O 3.04Å; L2249-F2324 HydrophobicContact CD1-CE1 4.32Å; Y2300-F2324 HydrophobicContact CE1-CD1 4.13Å; Y2300-F2324 HydrophobicContact CE1-CE1 4.33Å; I2303-F2324 HydrophobicContact CD1-CZ 3.92Å; I2303-F2324 HydrophobicContact CG2-CE2 3.84Å; I2303-F2324 HydrophobicContact CG2-CZ 3.87Å; I2320-F2324 HydrophobicContact CG2-CD2 4.21Å; I2320-F2324 HydrophobicContact CG2-CE2 3.72Å; I2320-F2324 WeakPolarHBondContact O-CD2 3.47Å; I2320-F2324 PolarHBondContact O-N 3.48Å; S2322-F2324 VanDerWaalsContact C-N 3.3Å; F2324-F2327 HydrophobicContact CD1-CD2 4.13Å; F2324-F2327 HydrophobicContact CD1-CE2 4.29Å |
| 2325 | L | 62.6 | Low | 64.6 | Low | 36 Ų | 36 | 52 Ų | 52 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -11.4 | 163.1 | -70.3 | 162.2 | 0 | 0 | 0 | 112.7 | H115 L155 S2322 V2323 | H115-L2325 HydrophobicContact CB-CD2 4.28Å; L155-L2325 HydrophobicContact CD1-CD2 4.5Å; S2322-L2325 WeakPolarHBondContact O-CB 3.34Å; S2322-L2325 PolarHBondContact O-N 3.5Å; V2323-L2325 PolarHBondContact O-N 3.43Å |
| 2326 | Y | 58.3 | Low | 65.4 | Low | 196 Ų | 196 | 49.1 Ų | 49.1 | 77% | 0.769 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -106 | -0.6 | -171.6 | -63.9 | -82 | 0 | 0 | 0 | 114.6 | S2322 V2323 | S2322-Y2326 WeakPolarHBondContact O-CD2 3.48Å; V2323-Y2326 PolarHBondContact O-N 3.44Å |
| 2327 | F | 57.7 | Low | 66.1 | Low | 36 Ų | 36 | 50.3 Ų | 50.3 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -88.4 | 159.7 | 179.1 | -70 | -98.5 | 0 | 0 | 0 | 111.5 | W113 W2245 L2249 V2323 F2324 | W113-F2327 HydrophobicContact CH2-CB 4.21Å; W113-F2327 WeakPolarHBondContact CH2-O 3.35Å; W2245-F2327 AromaticContact CE2-CD1 3.87Å; W2245-F2327 AromaticContact CE2-CE1 3.87Å; W2245-F2327 AromaticContact CZ2-CD1 3.62Å; W2245-F2327 HydrophobicContact CZ2-CD1 3.62Å; W2245-F2327 AromaticContact CZ2-CE1 3.73Å; W2245-F2327 HydrophobicContact CZ2-CE1 3.73Å; W2245-F2327 AromaticContact NE1-CD1 3.69Å; W2245-F2327 AromaticContact NE1-CE1 3.86Å; L2249-F2327 HydrophobicContact CB-CE1 4.46Å; L2249-F2327 HydrophobicContact CB-CZ 4.44Å; L2249-F2327 HydrophobicContact CD1-CE1 3.95Å; L2249-F2327 HydrophobicContact CD1-CZ 4Å; L2249-F2327 HydrophobicContact CG-CZ 4.35Å; V2323-F2327 HydrophobicContact CG1-CE2 3.91Å; V2323-F2327 WeakPolarHBondContact O-CD2 3.46Å; F2324-F2327 HydrophobicContact CD1-CD2 4.13Å; F2324-F2327 HydrophobicContact CD1-CE2 4.29Å |
| 2328 | E | 56.6 | Low | 66.7 | Low | 157 Ų | 157 | 54.2 Ų | 54.2 | 73% | 0.734 | 27% | 0.268 | S | S | * | . | trans | -80.5 | 156.6 | -179.1 | -63.8 | -173.9 | 128.9 | 0 | 0 | 112.2 | ||||
| 2329 | L | 61.5 | Low | 67.1 | Low | 26 Ų | 26 | 54 Ų | 54 | 14% | 0.136 | 27% | 0.266 | C | S | . | . | trans | -97.5 | 1.8 | -162.7 | -97.3 | 168.2 | 0 | 0 | 0 | 114.5 | L110 W113 E2331 L2332 M2333 | L110-L2329 HydrophobicContact CD2-CD2 4.34Å; W113-L2329 HydrophobicContact CB-CD2 4.34Å; W113-L2329 HydrophobicContact CD2-CD2 3.87Å; W113-L2329 HydrophobicContact CE3-CD1 4.31Å; W113-L2329 HydrophobicContact CE3-CD2 3.59Å; W113-L2329 HydrophobicContact CE3-CG 3.88Å; W113-L2329 HydrophobicContact CG-CD2 4.22Å; W113-L2329 HydrophobicContact CZ3-CD2 4.15Å; W113-L2329 HydrophobicContact CZ3-CG 4Å; L2329-E2331 PolarHBondContact O-N 3.05Å; L2329-L2332 HydrophobicContact CD2-CB 4.42Å; L2329-L2332 HydrophobicContact CD2-CD1 4.04Å; L2329-L2332 PolarHBondContact O-N 3.41Å; L2329-M2333 HydrophobicContact CB-CG 4.39Å; L2329-M2333 PolarHBondContact O-N 3.29Å; L2329-M2333 VanDerWaalsContact O-N 3.15Å | ||
| 2330 | D | 61.6 | Low | 67.8 | Low | 102 Ų | 102 | 51 Ų | 51 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | -153 | -69.8 | 11.2 | 0 | 0 | 0 | 114 | L2332 M2333 V2334 | D2330-L2332 VanDerWaalsContact C-N 3.33Å; D2330-L2332 PolarHBondContact O-N 2.64Å; D2330-M2333 PolarHBondContact O-N 3.22Å; D2330-V2334 WeakPolarHBondContact O-CG2 3.22Å; D2330-V2334 PolarHBondContact O-N 2.82Å |
| 2331 | E | 64.4 | Low | 68.4 | Low | 56 Ų | 56 | 52.2 Ų | 52.2 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.4 | -46.5 | 172.1 | -71.2 | 177.9 | -150.7 | 0 | 0 | 111.8 | F2295 L2329 M2333 V2334 D2335 | F2295-E2331 HydrophobicContact CB-CG 4.41Å; F2295-E2331 WeakPolarHBondContact CD1-OE1 3.41Å; L2329-E2331 PolarHBondContact O-N 3.05Å; E2331-M2333 VanDerWaalsContact C-N 3.31Å; E2331-M2333 PolarHBondContact O-N 3.01Å; E2331-V2334 PolarHBondContact O-N 2.94Å; E2331-D2335 PolarHBondContact O-N 3.48Å |
| 2332 | L | 68.4 | Low | 68.9 | Low | 37 Ų | 37 | 55.6 Ų | 55.6 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.4 | -28.3 | -179.4 | -70.4 | 175.4 | 0 | 0 | 0 | 112.4 | R109 L110 W113 L2329 D2330 A2336 | R109-L2332 HydrophobicContact CB-CD2 4.44Å; L110-L2332 HydrophobicContact CD2-CB 3.81Å; W113-L2332 HydrophobicContact CB-CD1 4.49Å; W113-L2332 HydrophobicContact CG-CD1 4.15Å; L2329-L2332 HydrophobicContact CD2-CB 4.42Å; L2329-L2332 HydrophobicContact CD2-CD1 4.04Å; L2329-L2332 PolarHBondContact O-N 3.41Å; D2330-L2332 VanDerWaalsContact C-N 3.33Å; D2330-L2332 PolarHBondContact O-N 2.64Å; L2332-A2336 WeakPolarHBondContact O-CB 3.36Å; L2332-A2336 PolarHBondContact O-N 3.27Å; L2332-A2336 VanDerWaalsContact O-N 3.11Å |
| 2333 | M | 70.5 | Confident | 69.4 | Low | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.069 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.7 | -43.9 | 172.9 | -67.4 | -65.1 | -69.7 | 0 | 0 | 111.1 | Y47 F50 T51 L110 L2329 D2330 E2331 A2336 N2337 | Y47-M2333 HydrophobicContact CD2-CE 3.99Å; Y47-M2333 HydrophobicContact CE2-CB 4.4Å; Y47-M2333 HydrophobicContact CE2-CE 3.52Å; Y47-M2333 WeakPolarHBondContact CE2-O 3.44Å; Y47-M2333 HydrophobicContact CE2-SD 4.23Å; F50-M2333 HydrophobicContact CB-CE 4.19Å; F50-M2333 HydrophobicContact CB-SD 4.26Å; T51-M2333 WeakPolarHBondContact OG1-CE 3.23Å; L110-M2333 HydrophobicContact CD1-SD 3.65Å; L110-M2333 HydrophobicContact CD2-CG 4.25Å; L110-M2333 HydrophobicContact CD2-SD 3.59Å; L110-M2333 VanDerWaalsContact CD2-SD 3.59Å; L110-M2333 HydrophobicContact CG-SD 4.26Å; L2329-M2333 HydrophobicContact CB-CG 4.39Å; L2329-M2333 PolarHBondContact O-N 3.29Å; L2329-M2333 VanDerWaalsContact O-N 3.15Å; D2330-M2333 PolarHBondContact O-N 3.22Å; E2331-M2333 VanDerWaalsContact C-N 3.31Å; E2331-M2333 PolarHBondContact O-N 3.01Å; M2333-A2336 PolarHBondContact O-N 3.12Å; M2333-N2337 WeakPolarHBondContact O-CB 3.5Å; M2333-N2337 PolarHBondContact O-N 2.85Å |
| 2334 | V | 72 | Confident | 70.1 | Confident | 84 Ų | 84 | 56 Ų | 56 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 175.2 | 172 | 0 | 0 | 0 | 0 | 111 | D2330 E2331 A2336 N2337 N2338 | D2330-V2334 WeakPolarHBondContact O-CG2 3.22Å; D2330-V2334 PolarHBondContact O-N 2.82Å; E2331-V2334 PolarHBondContact O-N 2.94Å; V2334-A2336 PolarHBondContact O-N 3.17Å; V2334-N2337 PolarHBondContact O-N 3.16Å; V2334-N2338 WeakPolarHBondContact O-CB 3.49Å; V2334-N2338 VanDerWaalsContact O-CG 3.24Å; V2334-N2338 PolarHBondContact O-N 3.37Å; V2334-N2338 PolarHBondContact O-ND2 3.04Å |
| 2335 | D | 71.8 | Confident | 70.8 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 31% | 0.305 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55 | -49.7 | 174.5 | -118.4 | 31.8 | 0 | 0 | 0 | 112.1 | H106 R109 E2331 N2338 S2339 | H106-D2335 IonicContact CE1-OD2 2.76Å; H106-D2335 PolarHBondContact CE1-OD2 2.96Å; H106-D2335 IonicContact ND1-OD2 3.22Å; H106-D2335 PolarHBondContact ND1-OD2 3.38Å; R109-D2335 IonicContact CZ-OD2 2.77Å; R109-D2335 IonicContact NH1-OD2 3.77Å; R109-D2335 PolarHBondContact NH1-OD2 3.4Å; E2331-D2335 PolarHBondContact O-N 3.48Å; D2335-N2338 PolarHBondContact O-N 2.96Å; D2335-S2339 PolarHBondContact O-N 3.45Å; D2335-S2339 VanDerWaalsContact O-N 3.1Å |
| 2336 | A | 76.5 | Confident | 71.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y47 I107 L110 L2332 M2333 V2334 S2339 L2340 | Y47-A2336 HydrophobicContact CD2-CB 4.09Å; Y47-A2336 HydrophobicContact CE2-CB 4.34Å; I107-A2336 HydrophobicContact CG1-CB 4.25Å; L110-A2336 HydrophobicContact CD1-CB 3.96Å; L2332-A2336 WeakPolarHBondContact O-CB 3.36Å; L2332-A2336 PolarHBondContact O-N 3.27Å; L2332-A2336 VanDerWaalsContact O-N 3.11Å; M2333-A2336 PolarHBondContact O-N 3.12Å; V2334-A2336 PolarHBondContact O-N 3.17Å; A2336-S2339 PolarHBondContact O-N 2.96Å; A2336-S2339 PolarHBondContact O-OG 2.93Å; A2336-L2340 PolarHBondContact O-N 3.46Å |
| 2337 | N | 80 | Confident | 71.8 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 31% | 0.31 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 178.3 | -168.4 | 33.9 | 0 | 0 | 0 | 112.3 | Y47 M2333 V2334 S2339 L2340 I2341 | Y47-N2337 HydrophobicContact CE1-CB 4.45Å; Y47-N2337 HydrophobicContact CE2-CB 3.95Å; M2333-N2337 WeakPolarHBondContact O-CB 3.5Å; M2333-N2337 PolarHBondContact O-N 2.85Å; V2334-N2337 PolarHBondContact O-N 3.16Å; N2337-S2339 VanDerWaalsContact C-N 3.35Å; N2337-S2339 PolarHBondContact O-N 3.42Å; N2337-L2340 WeakPolarHBondContact O-CB 3.42Å; N2337-L2340 PolarHBondContact O-N 3.23Å; N2337-I2341 VanDerWaalsContact O-CG1 3.29Å; N2337-I2341 WeakPolarHBondContact O-CG1 3.46Å; N2337-I2341 PolarHBondContact O-N 3.36Å |
| 2338 | N | 78.4 | Confident | 72.4 | Confident | 91 Ų | 91 | 61.9 Ų | 61.9 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 177.1 | -72.4 | -22.7 | 0 | 0 | 0 | 111.2 | V2334 D2335 L2340 I2341 E2342 | V2334-N2338 WeakPolarHBondContact O-CB 3.49Å; V2334-N2338 VanDerWaalsContact O-CG 3.24Å; V2334-N2338 PolarHBondContact O-N 3.37Å; V2334-N2338 PolarHBondContact O-ND2 3.04Å; D2335-N2338 PolarHBondContact O-N 2.96Å; N2338-L2340 VanDerWaalsContact C-N 3.34Å; N2338-L2340 PolarHBondContact O-N 2.96Å; N2338-I2341 PolarHBondContact O-N 3.35Å; N2338-E2342 PolarHBondContact O-N 3.38Å |
| 2339 | S | 77.5 | Confident | 72.7 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -33 | 176.9 | 78.7 | 0 | 0 | 0 | 0 | 113.4 | S103 D2335 A2336 N2337 V2343 | S103-S2339 WeakPolarHBondContact OG-CB 3.39Å; S103-S2339 PolarHBondContact OG-O 2.89Å; D2335-S2339 PolarHBondContact O-N 3.45Å; D2335-S2339 VanDerWaalsContact O-N 3.1Å; A2336-S2339 PolarHBondContact O-N 2.96Å; A2336-S2339 PolarHBondContact O-OG 2.93Å; N2337-S2339 VanDerWaalsContact C-N 3.35Å; N2337-S2339 PolarHBondContact O-N 3.42Å; S2339-V2343 PolarHBondContact O-N 3.33Å |
| 2340 | L | 78.7 | Confident | 72.3 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -48.2 | 172.6 | -84 | 164.5 | 0 | 0 | 0 | 111.5 | L43 K44 Y47 I107 A2336 N2337 N2338 E2342 V2343 E2344 | L43-L2340 HydrophobicContact CB-CD2 3.95Å; K44-L2340 HydrophobicContact CG-CD2 4.19Å; Y47-L2340 HydrophobicContact CD1-CD1 4.28Å; Y47-L2340 HydrophobicContact CD2-CD1 4.27Å; Y47-L2340 HydrophobicContact CG-CD1 3.81Å; I107-L2340 HydrophobicContact CD1-CD1 4.02Å; I107-L2340 HydrophobicContact CD1-CD2 3.71Å; I107-L2340 HydrophobicContact CD1-CG 3.75Å; I107-L2340 HydrophobicContact CG1-CD1 4.49Å; I107-L2340 HydrophobicContact CG1-CG 4.49Å; A2336-L2340 PolarHBondContact O-N 3.46Å; N2337-L2340 WeakPolarHBondContact O-CB 3.42Å; N2337-L2340 PolarHBondContact O-N 3.23Å; N2338-L2340 VanDerWaalsContact C-N 3.34Å; N2338-L2340 PolarHBondContact O-N 2.96Å; L2340-E2342 VanDerWaalsContact C-N 3.26Å; L2340-E2342 PolarHBondContact O-N 3.42Å; L2340-V2343 PolarHBondContact O-N 2.72Å; L2340-E2344 WeakPolarHBondContact O-CB 3.49Å; L2340-E2344 PolarHBondContact O-N 2.97Å |
| 2341 | I | 79.6 | Confident | 71.9 | Confident | 65 Ų | 65 | 58 Ų | 58 | 33% | 0.333 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 179.3 | -69.2 | 164 | 0 | 0 | 0 | 110.8 | N2337 N2338 K2345 | N2337-I2341 VanDerWaalsContact O-CG1 3.29Å; N2337-I2341 WeakPolarHBondContact O-CG1 3.46Å; N2337-I2341 PolarHBondContact O-N 3.36Å; N2338-I2341 PolarHBondContact O-N 3.35Å; I2341-K2345 WeakPolarHBondContact O-CG 3.28Å; I2341-K2345 PolarHBondContact O-N 3.08Å |
| 2342 | E | 78.3 | Confident | 71.2 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.7 | -52 | 176.3 | -161.3 | -172 | 166.1 | 0 | 0 | 112.3 | N2338 L2340 E2344 K2345 Y2346 | N2338-E2342 PolarHBondContact O-N 3.38Å; L2340-E2342 VanDerWaalsContact C-N 3.26Å; L2340-E2342 PolarHBondContact O-N 3.42Å; E2342-E2344 VanDerWaalsContact C-N 3.28Å; E2342-E2344 PolarHBondContact O-N 2.96Å; E2342-K2345 WeakPolarHBondContact O-CB 3.43Å; E2342-K2345 PolarHBondContact O-N 2.8Å; E2342-Y2346 HydrophobicContact CG-CD2 4.23Å; E2342-Y2346 HydrophobicContact CG-CE2 3.8Å; E2342-Y2346 WeakPolarHBondContact O-CD2 3.1Å; E2342-Y2346 PolarHBondContact O-N 3.49Å; E2342-Y2346 WeakPolarHBondContact OE1-CE2 3.3Å |
| 2343 | V | 76.6 | Confident | 69.8 | Low | 16 Ų | 16 | 68 Ų | 68 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.4 | -32.3 | 177.5 | 165.4 | 0 | 0 | 0 | 0 | 112 | P99 S103 S2339 L2340 K2345 Y2346 L2347 | P99-V2343 HydrophobicContact CB-CG2 4.23Å; P99-V2343 WeakPolarHBondContact O-CG2 3.26Å; S103-V2343 WeakPolarHBondContact OG-CG2 3.45Å; S2339-V2343 PolarHBondContact O-N 3.33Å; L2340-V2343 PolarHBondContact O-N 2.72Å; V2343-K2345 VanDerWaalsContact C-N 3.32Å; V2343-K2345 PolarHBondContact O-N 2.77Å; V2343-Y2346 PolarHBondContact O-N 3.23Å; V2343-L2347 HydrophobicContact CG1-CD1 3.87Å; V2343-L2347 HydrophobicContact CG1-CG 4.18Å; V2343-L2347 WeakPolarHBondContact O-CB 3.47Å; V2343-L2347 WeakPolarHBondContact O-CG 3.49Å; V2343-L2347 PolarHBondContact O-N 2.96Å |
| 2344 | E | 78.6 | Confident | 68.2 | Low | 31 Ų | 31 | 73 Ų | 73 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 170.4 | -85 | -159.1 | -100.3 | 0 | 0 | 113.5 | K44 L2340 E2342 K2348 | K44-E2344 WeakPolarHBondContact CE-OE1 3.35Å; K44-E2344 IonicContact NZ-OE1 2.64Å; K44-E2344 PolarHBondContact NZ-OE1 2.93Å; K44-E2344 IonicContact NZ-OE2 3.41Å; K44-E2344 PolarHBondContact NZ-OE2 2.78Å; L2340-E2344 WeakPolarHBondContact O-CB 3.49Å; L2340-E2344 PolarHBondContact O-N 2.97Å; E2342-E2344 VanDerWaalsContact C-N 3.28Å; E2342-E2344 PolarHBondContact O-N 2.96Å; E2344-K2348 VanDerWaalsContact O-CB 3.3Å; E2344-K2348 WeakPolarHBondContact O-CB 3.39Å; E2344-K2348 WeakPolarHBondContact O-CD 3.47Å; E2344-K2348 WeakPolarHBondContact O-CG 2.99Å; E2344-K2348 PolarHBondContact O-N 3.19Å; E2344-K2348 VanDerWaalsContact OE2-CE 3.23Å; E2344-K2348 WeakPolarHBondContact OE2-CE 3.42Å; E2344-K2348 IonicContact OE2-NZ 3.31Å; E2344-K2348 PolarHBondContact OE2-NZ 2.96Å |
| 2345 | K | 78.3 | Confident | 66.2 | Low | 139 Ų | 139 | 79.4 Ų | 79.4 | 60% | 0.604 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.5 | -47.5 | 175.3 | -69.7 | 162.6 | -177.2 | 173.8 | 0 | 110.2 | I2341 E2342 V2343 L2347 K2348 S2349 | I2341-K2345 WeakPolarHBondContact O-CG 3.28Å; I2341-K2345 PolarHBondContact O-N 3.08Å; E2342-K2345 WeakPolarHBondContact O-CB 3.43Å; E2342-K2345 PolarHBondContact O-N 2.8Å; V2343-K2345 VanDerWaalsContact C-N 3.32Å; V2343-K2345 PolarHBondContact O-N 2.77Å; K2345-L2347 PolarHBondContact O-N 2.92Å; K2345-K2348 PolarHBondContact O-N 3.11Å; K2345-S2349 WeakPolarHBondContact O-CB 3.36Å; K2345-S2349 PolarHBondContact O-N 3.48Å; K2345-S2349 PolarHBondContact O-OG 3.24Å |
| 2346 | Y | 71.5 | Confident | 66 | Low | 112 Ų | 112 | 80.6 Ų | 80.6 | 44% | 0.439 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 178 | -73.4 | -65.3 | 0 | 0 | 0 | 114 | P99 E2342 V2343 S2349 K2350 | P99-Y2346 HydrophobicContact CB-CD2 4.26Å; P99-Y2346 HydrophobicContact CB-CE2 4.2Å; P99-Y2346 HydrophobicContact CG-CD2 4.42Å; P99-Y2346 HydrophobicContact CG-CE2 4.47Å; E2342-Y2346 HydrophobicContact CG-CD2 4.23Å; E2342-Y2346 HydrophobicContact CG-CE2 3.8Å; E2342-Y2346 WeakPolarHBondContact O-CD2 3.1Å; E2342-Y2346 PolarHBondContact O-N 3.49Å; E2342-Y2346 WeakPolarHBondContact OE1-CE2 3.3Å; V2343-Y2346 PolarHBondContact O-N 3.23Å; Y2346-S2349 WeakPolarHBondContact CA-OG 3.21Å; Y2346-S2349 PolarHBondContact O-OG 3.19Å; Y2346-K2350 PolarHBondContact O-N 3.14Å |
| 2347 | L | 70.6 | Confident | 65.4 | Low | 36 Ų | 36 | 84.8 Ų | 84.8 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71 | -43.5 | 175.7 | -69.8 | 174.6 | 0 | 0 | 0 | 111.4 | F36 N40 L96 V2343 K2345 K2350 S2351 | F36-L2347 HydrophobicContact CB-CD2 4.04Å; F36-L2347 HydrophobicContact CD1-CD2 4.19Å; F36-L2347 HydrophobicContact CG-CD2 4.13Å; N40-L2347 HydrophobicContact CB-CD1 4.45Å; L96-L2347 HydrophobicContact CD2-CD2 4.27Å; V2343-L2347 HydrophobicContact CG1-CD1 3.87Å; V2343-L2347 HydrophobicContact CG1-CG 4.18Å; V2343-L2347 WeakPolarHBondContact O-CB 3.47Å; V2343-L2347 WeakPolarHBondContact O-CG 3.49Å; V2343-L2347 PolarHBondContact O-N 2.96Å; K2345-L2347 PolarHBondContact O-N 2.92Å; L2347-K2350 PolarHBondContact O-N 2.88Å; L2347-S2351 PolarHBondContact O-N 2.8Å; L2347-S2351 VanDerWaalsContact O-N 3.12Å |
| 2348 | K | 69.5 | Low | 64.6 | Low | 121 Ų | 121 | 86.3 Ų | 86.3 | 53% | 0.526 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.1 | -28.7 | 178.4 | -70.2 | 168.8 | -169.7 | 167.5 | 0 | 113.6 | E2344 K2345 K2350 S2351 | E2344-K2348 VanDerWaalsContact O-CB 3.3Å; E2344-K2348 WeakPolarHBondContact O-CB 3.39Å; E2344-K2348 WeakPolarHBondContact O-CD 3.47Å; E2344-K2348 WeakPolarHBondContact O-CG 2.99Å; E2344-K2348 PolarHBondContact O-N 3.19Å; E2344-K2348 VanDerWaalsContact OE2-CE 3.23Å; E2344-K2348 WeakPolarHBondContact OE2-CE 3.42Å; E2344-K2348 IonicContact OE2-NZ 3.31Å; E2344-K2348 PolarHBondContact OE2-NZ 2.96Å; K2345-K2348 PolarHBondContact O-N 3.11Å; K2348-K2350 PolarHBondContact O-N 2.88Å; K2348-S2351 PolarHBondContact O-OG 2.64Å |
| 2349 | S | 63.7 | Low | 63.8 | Low | 69 Ų | 69 | 86 Ų | 86 | 48% | 0.483 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.1 | -22.6 | 172.6 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | K2345 Y2346 | K2345-S2349 WeakPolarHBondContact O-CB 3.36Å; K2345-S2349 PolarHBondContact O-N 3.48Å; K2345-S2349 PolarHBondContact O-OG 3.24Å; Y2346-S2349 WeakPolarHBondContact CA-OG 3.21Å; Y2346-S2349 PolarHBondContact O-OG 3.19Å |
| 2350 | K | 52.6 | Low | 62.9 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 34% | 0.335 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -99.4 | -25.4 | -175.2 | -141.6 | 167.3 | -167.7 | 169.5 | 0 | 114.6 | L93 Y2346 L2347 K2348 K2352 L2353 | L93-K2350 HydrophobicContact CD1-CD 4.2Å; Y2346-K2350 PolarHBondContact O-N 3.14Å; L2347-K2350 PolarHBondContact O-N 2.88Å; K2348-K2350 PolarHBondContact O-N 2.88Å; K2350-K2352 PolarHBondContact O-N 2.7Å; K2350-L2353 PolarHBondContact O-N 3.05Å |
| 2351 | S | 52.9 | Low | 61.9 | Low | 58 Ų | 58 | 96.4 Ų | 96.4 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -34.1 | 168.8 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | L2347 K2348 L2353 T2354 E2355 | L2347-S2351 PolarHBondContact O-N 2.8Å; L2347-S2351 VanDerWaalsContact O-N 3.12Å; K2348-S2351 PolarHBondContact O-OG 2.64Å; S2351-L2353 PolarHBondContact O-N 3.39Å; S2351-L2353 VanDerWaalsContact O-N 3.16Å; S2351-T2354 PolarHBondContact O-N 3Å; S2351-T2354 PolarHBondContact O-OG1 3.36Å; S2351-E2355 PolarHBondContact O-N 2.68Å |
| 2352 | K | 49.1 | Very low | 60.6 | Low | 164 Ų | 164 | 98.6 Ų | 98.6 | 71% | 0.713 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 6.7 | 171.4 | -73.3 | -166.8 | 167.7 | -163.4 | 0 | 115.6 | K2350 | K2350-K2352 PolarHBondContact O-N 2.7Š|
| 2353 | L | 39.7 | Very low | 59.2 | Low | 139 Ų | 139 | 100 Ų | 100 | 73% | 0.728 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | 8.3 | 174.6 | -92.7 | 160.9 | 0 | 0 | 0 | 111.5 | K2350 S2351 | K2350-L2353 PolarHBondContact O-N 3.05Å; S2351-L2353 PolarHBondContact O-N 3.39Å; S2351-L2353 VanDerWaalsContact O-N 3.16Å |
| 2354 | T | 37.7 | Very low | 57.8 | Low | 120 Ų | 120 | 107 Ų | 107 | 74% | 0.736 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.3 | -3.7 | 174.9 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | S2351 | S2351-T2354 PolarHBondContact O-N 3Å; S2351-T2354 PolarHBondContact O-OG1 3.36Å |
| 2355 | E | 29.7 | Very low | 55.9 | Low | 218 Ų | 218 | 113.9 Ų | 113.9 | 100% | 1.019 | 56% | 0.562 | S | S | * | * | trans | -97.2 | 0 | 155.2 | -65.8 | 179.2 | 142.7 | 0 | 0 | 108 | S2351 | S2351-E2355 PolarHBondContact O-N 2.68Š|
Retrieved 2,355 of 2,355 residues in 1657.5 ms
(Link to these results)