| 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 | 31.8 | Very low | 42 | Very low | 243 Ų | 243 | 156.6 Ų | 156.6 | 100% | 1.197 | 77% | 0.766 | S | S | * | * | 0 | 101.5 | 0 | -89.9 | 171.9 | 169.4 | 0 | 0 | 109.1 | R3 | M1-R3 PolarHBondContact O-N 3.24Š| |||
| 2 | V | 28.3 | Very low | 43.7 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -81.1 | 110.8 | 170.1 | 176.8 | 0 | 0 | 0 | 0 | 105.8 | M4 | V2-M4 VanDerWaalsContact C-N 3.35Å; V2-M4 PolarHBondContact O-N 3.11Å | ||
| 3 | R | 33.8 | Very low | 46.1 | Very low | 217 Ų | 217 | 146.8 Ų | 146.8 | 82% | 0.819 | 75% | 0.747 | S | S | * | * | trans | -66.2 | 99.3 | 169.9 | -78.1 | -177.6 | 175.8 | 173.7 | -2 | 106.8 | M1 T5 | M1-R3 PolarHBondContact O-N 3.24Å; R3-T5 VanDerWaalsContact C-N 3.34Å; R3-T5 PolarHBondContact O-N 3.44Å | ||
| 4 | M | 30.6 | Very low | 48.7 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -68.6 | 99.8 | 162.8 | -73.2 | -174.8 | 120 | 0 | 0 | 106.1 | V2 Q6 | V2-M4 VanDerWaalsContact C-N 3.35Å; V2-M4 PolarHBondContact O-N 3.11Å; M4-Q6 VanDerWaalsContact C-N 3.32Å; M4-Q6 PolarHBondContact O-N 3.39Å | ||
| 5 | T | 43 | Very low | 51.2 | Low | 105 Ų | 105 | 132.1 Ų | 132.1 | 64% | 0.644 | 67% | 0.673 | S | S | * | * | trans | -66.5 | 102.9 | 160.1 | 42.4 | 0 | 0 | 0 | 0 | 105.6 | R3 R7 | R3-T5 VanDerWaalsContact C-N 3.34Å; R3-T5 PolarHBondContact O-N 3.44Å; T5-R7 PolarHBondContact O-N 3.22Å | ||
| 6 | Q | 38.5 | Very low | 53.4 | Low | 156 Ų | 156 | 126.5 Ų | 126.5 | 73% | 0.729 | 65% | 0.65 | S | S | * | * | trans | -63.2 | 93.3 | 170.1 | -168.1 | 167.6 | 15.5 | 0 | 0 | 106.2 | M4 H8 | M4-Q6 VanDerWaalsContact C-N 3.32Å; M4-Q6 PolarHBondContact O-N 3.39Å; Q6-H8 PolarHBondContact O-CD2 3.44Å; Q6-H8 PolarHBondContact O-N 2.98Å | ||
| 7 | R | 49.8 | Very low | 55.2 | Low | 138 Ų | 138 | 123.2 Ų | 123.2 | 52% | 0.521 | 64% | 0.637 | S | S | . | * | trans | -70.4 | 99.9 | 172.9 | -66.8 | -173 | -176.4 | -174.1 | -1.6 | 105.7 | T5 C9 S114 | T5-R7 PolarHBondContact O-N 3.22Å; R7-C9 PolarHBondContact O-N 3.28Å; R7-S114 PolarHBondContact NH1-OG 3Å; R7-S114 PolarHBondContact NH2-O 3.48Å; R7-S114 PolarHBondContact NH2-OG 3.18Å | ||
| 8 | H | 46.3 | Very low | 56.8 | Low | 143 Ų | 143 | 119.9 Ų | 119.9 | 66% | 0.662 | 63% | 0.625 | S | S | * | * | trans | -70.9 | 77.3 | 166.9 | -69 | -87.4 | 0 | 0 | 0 | 107.5 | Q6 L10 | Q6-H8 PolarHBondContact O-CD2 3.44Å; Q6-H8 PolarHBondContact O-N 2.98Å; H8-L10 PolarHBondContact O-N 3.08Å | ||
| 9 | C | 47.9 | Very low | 58.3 | Low | 86 Ų | 86 | 122.1 Ų | 122.1 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | trans | -73.1 | 108.3 | 169.4 | -66.8 | 0 | 0 | 0 | 0 | 106.9 | R7 | R7-C9 PolarHBondContact O-N 3.28Š| ||
| 10 | L | 55.9 | Low | 59.8 | Low | 124 Ų | 124 | 118.3 Ų | 118.3 | 65% | 0.649 | 62% | 0.618 | S | S | * | * | trans | -64.8 | 143.3 | 170 | -62.6 | 174.2 | 0 | 0 | 0 | 108.8 | H8 G12 Q13 | H8-L10 PolarHBondContact O-N 3.08Å; L10-G12 PolarHBondContact O-N 2.93Å; L10-G12 VanDerWaalsContact O-N 3.17Å; L10-Q13 WeakPolarHBondContact O-CB 3.34Å; L10-Q13 PolarHBondContact O-N 3.48Å | ||
| 11 | E | 55.7 | Low | 60.8 | Low | 208 Ų | 208 | 118.1 Ų | 118.1 | 97% | 0.972 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 119.9 | -179.6 | -160.5 | 162.7 | -167.6 | 0 | 0 | 109.8 | ||
| 12 | G | 62.9 | Low | 62.9 | Low | 76 Ų | 76 | 111 Ų | 111 | 78% | 0.784 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.1 | -6.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116 | L10 V14 | L10-G12 PolarHBondContact O-N 2.93Å; L10-G12 VanDerWaalsContact O-N 3.17Å; G12-V14 PolarHBondContact O-N 2.81Å |
| 13 | Q | 74.5 | Confident | 65.3 | Low | 109 Ų | 109 | 111.4 Ų | 111.4 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | trans | -85.6 | 107 | 175.2 | -170.8 | 159.5 | 3.2 | 0 | 0 | 111.7 | L10 Y15 | L10-Q13 WeakPolarHBondContact O-CB 3.34Å; L10-Q13 PolarHBondContact O-N 3.48Å; Q13-Y15 WeakPolarHBondContact CG-O 3.41Å; Q13-Y15 PolarHBondContact NE2-O 3.33Å | ||
| 14 | V | 82.4 | Confident | 67.4 | Low | 44 Ų | 44 | 102.6 Ų | 102.6 | 27% | 0.267 | 55% | 0.548 | S | S | . | . | trans | -87.4 | -35.6 | -175.7 | 172 | 0 | 0 | 0 | 0 | 112.9 | G12 F107 A110 | G12-V14 PolarHBondContact O-N 2.81Å; V14-F107 HydrophobicContact CB-CB 4.34Å; V14-F107 HydrophobicContact CG1-CB 4.29Å; V14-F107 HydrophobicContact CG2-CB 3.83Å; V14-A110 HydrophobicContact CG1-CB 3.32Å | ||
| 15 | Y | 86.6 | Confident | 69.9 | Low | 29 Ų | 29 | 97 Ų | 97 | 11% | 0.114 | 52% | 0.518 | C | S | . | . | trans | -114.8 | 140.2 | -177.8 | -54.7 | -77.2 | 0 | 0 | 0 | 111.3 | Q13 I43 D46 I47 R50 F107 A110 D112 | Q13-Y15 WeakPolarHBondContact CG-O 3.41Å; Q13-Y15 PolarHBondContact NE2-O 3.33Å; Y15-I43 HydrophobicContact CD1-CB 4.5Å; Y15-I43 HydrophobicContact CD1-CD1 4.32Å; Y15-I43 HydrophobicContact CD1-CG1 3.88Å; Y15-I43 HydrophobicContact CD1-CG2 4.02Å; Y15-I43 HydrophobicContact CD2-CG2 4.14Å; Y15-I43 HydrophobicContact CG-CD1 4.43Å; Y15-I43 HydrophobicContact CG-CG1 4.3Å; Y15-I43 HydrophobicContact CG-CG2 3.77Å; Y15-D46 PolarHBondContact OH-OD2 2.95Å; Y15-I47 HydrophobicContact CD2-CD1 4.12Å; Y15-I47 HydrophobicContact CD2-CG1 4.14Å; Y15-I47 HydrophobicContact CE2-CD1 4.18Å; Y15-I47 HydrophobicContact CE2-CG1 3.68Å; Y15-R50 PolarHBondContact OH-NE 3.48Å; Y15-F107 AromaticContact CE2-CD1 3.65Å; Y15-F107 HydrophobicContact CE2-CD1 3.65Å; Y15-F107 AromaticContact CE2-CE1 3.9Å; Y15-F107 HydrophobicContact CE2-CE1 3.9Å; Y15-F107 HydrophobicContact CE2-CG 4.5Å; Y15-A110 HydrophobicContact CE1-CB 4.38Å; Y15-D112 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 16 | S | 85.8 | Confident | 71.9 | Confident | 43 Ų | 43 | 101.7 Ų | 101.7 | 30% | 0.301 | 52% | 0.524 | S | S | . | . | trans | -130.6 | 113.6 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | Y39 D112 | S16-Y39 WeakPolarHBondContact O-CE1 3.46Å; S16-Y39 PolarHBondContact O-OH 3.19Å; S16-D112 PolarHBondContact N-OD1 3.02Å | ||
| 17 | V | 85.4 | Confident | 74.2 | Confident | 71 Ų | 71 | 98.2 Ų | 98.2 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 126 | 178.5 | -178 | 0 | 0 | 0 | 0 | 110 | L19 Y39 I43 | V17-L19 PolarHBondContact O-N 3.24Å; V17-Y39 HydrophobicContact CB-CD1 4.4Å; V17-Y39 HydrophobicContact CG1-CD1 4.32Å; V17-Y39 HydrophobicContact CG2-CD1 4.25Å; V17-Y39 HydrophobicContact CG2-CE1 4.34Å; V17-I43 HydrophobicContact CG2-CD1 4Å |
| 18 | P | 83.1 | Confident | 75.9 | Confident | 64 Ų | 64 | 93.8 Ų | 93.8 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -69 | 125.9 | 177.8 | 26.9 | -31.6 | 0 | 0 | 0 | 110.7 | S36 Y39 | P18-S36 PolarHBondContact O-OG 3.25Å; P18-Y39 VanDerWaalsContact CD-CD1 3.42Å; P18-Y39 HydrophobicContact CG-CD1 4.4Å |
| 19 | L | 85.9 | Confident | 77.9 | Confident | 161 Ų | 161 | 88 Ų | 88 | 84% | 0.843 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 137.2 | 171.8 | -141.6 | 92.8 | 0 | 0 | 0 | 110 | V17 Q21 | V17-L19 PolarHBondContact O-N 3.24Å; L19-Q21 PolarHBondContact O-N 3.45Å |
| 20 | V | 87.4 | Confident | 79.9 | Confident | 46 Ų | 46 | 88 Ų | 88 | 28% | 0.279 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -67 | 126.5 | 172.5 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | Q32 I33 | V20-Q32 HydrophobicContact CG1-CB 4.14Å; V20-Q32 HydrophobicContact CG2-CB 4.3Å; V20-I33 HydrophobicContact CG1-CG1 4.36Å; V20-I33 HydrophobicContact CG2-CG1 3.85Å |
| 21 | Q | 81.6 | Confident | 81.4 | Confident | 114 Ų | 114 | 84.8 Ų | 84.8 | 53% | 0.533 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 147.7 | -177.6 | -47.1 | 179.9 | -19.6 | 0 | 0 | 109.6 | L19 L24 | L19-Q21 PolarHBondContact O-N 3.45Å; Q21-L24 HydrophobicContact CB-CD1 3.51Å; Q21-L24 HydrophobicContact CG-CD1 4.36Å; Q21-L24 WeakPolarHBondContact O-CD1 3.21Å |
| 22 | P | 75.6 | Confident | 82.9 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 62% | 0.617 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 141.6 | 169.9 | 27.2 | -32.4 | 0 | 0 | 0 | 109.5 | ||
| 23 | E | 77.8 | Confident | 84.2 | Confident | 145 Ų | 145 | 78 Ų | 78 | 68% | 0.678 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 32.7 | 170.3 | -51 | -137.1 | -179 | 0 | 0 | 117.4 | K138 | E23-K138 VanDerWaalsContact OE1-CE 3.3Å; E23-K138 WeakPolarHBondContact OE1-CE 3.41Å; E23-K138 IonicContact OE1-NZ 2.95Å; E23-K138 PolarHBondContact OE1-NZ 3.38Å; E23-K138 IonicContact OE2-NZ 3.1Å; E23-K138 PolarHBondContact OE2-NZ 2.82Å |
| 24 | L | 79.8 | Confident | 85 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | trans | -71.4 | 157.4 | 158.4 | -75.2 | 100.6 | 0 | 0 | 0 | 112 | Q21 E28 A29 Q32 | Q21-L24 HydrophobicContact CB-CD1 3.51Å; Q21-L24 HydrophobicContact CG-CD1 4.36Å; Q21-L24 WeakPolarHBondContact O-CD1 3.21Å; L24-E28 HydrophobicContact CB-CB 3.99Å; L24-E28 HydrophobicContact CD2-CB 3.62Å; L24-E28 HydrophobicContact CG-CB 4.4Å; L24-A29 HydrophobicContact CB-CB 4.11Å; L24-Q32 VanDerWaalsContact CD1-OE1 3.27Å; L24-Q32 HydrophobicContact CD2-CG 4.13Å; L24-Q32 VanDerWaalsContact CD2-NE2 3.3Å | ||
| 25 | R | 82.9 | Confident | 85.3 | Confident | 48 Ų | 48 | 74.4 Ų | 74.4 | 18% | 0.181 | 39% | 0.389 | C | S | . | . | trans | -61.3 | 154.8 | 166.6 | -66.1 | -178.4 | -82.5 | 179.3 | -5.7 | 109.4 | E27 E28 A29 N125 | R25-E27 PolarHBondContact O-N 3.08Å; R25-E28 HydrophobicContact CB-CB 4.38Å; R25-E28 HydrophobicContact CB-CG 4.34Å; R25-E28 WeakPolarHBondContact CB-OE2 3.41Å; R25-E28 IonicContact CZ-OE1 3.49Å; R25-E28 VanDerWaalsContact CZ-OE1 3.25Å; R25-E28 PolarHBondContact N-OE2 3.5Å; R25-E28 VanDerWaalsContact NE-CD 3.31Å; R25-E28 IonicContact NE-OE1 3.32Å; R25-E28 PolarHBondContact NE-OE1 3.43Å; R25-E28 VanDerWaalsContact NE-OE1 3.12Å; R25-E28 IonicContact NE-OE2 2.7Å; R25-E28 PolarHBondContact NE-OE2 2.92Å; R25-E28 IonicContact NH2-OE1 3.59Å; R25-E28 PolarHBondContact NH2-OE1 3.08Å; R25-E28 PolarHBondContact O-N 3.29Å; R25-E28 VanDerWaalsContact O-N 3.1Å; R25-A29 WeakPolarHBondContact O-CB 3.48Å; R25-A29 PolarHBondContact O-N 2.78Å; R25-N125 PolarHBondContact NH1-O 3.24Å | ||
| 26 | R | 84.9 | Confident | 85.4 | Confident | 205 Ų | 205 | 73.9 Ų | 73.9 | 77% | 0.774 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -54.5 | -43.4 | -176.1 | -174 | 178.6 | -178.4 | 177.5 | 1 | 112 | A29 V30 | R26-A29 PolarHBondContact O-N 3.31Å; R26-V30 VanDerWaalsContact O-CG2 3.24Å; R26-V30 WeakPolarHBondContact O-CG2 3.49Å; R26-V30 PolarHBondContact O-N 2.91Å |
| 27 | E | 85.7 | Confident | 85.7 | Confident | 82 Ų | 82 | 76.9 Ų | 76.9 | 38% | 0.383 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | -178.3 | -54.7 | 74.8 | -165.9 | 0 | 0 | 111.3 | R25 L31 I123 N125 | R25-E27 PolarHBondContact O-N 3.08Å; E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.27Å; E27-L31 PolarHBondContact O-N 3.18Å; E27-L31 VanDerWaalsContact O-N 3.12Å; E27-I123 HydrophobicContact CB-CG2 4.18Å; E27-N125 PolarHBondContact OE1-ND2 2.82Å; E27-N125 PolarHBondContact OE2-ND2 3.35Å |
| 28 | E | 85 | Confident | 85.9 | Confident | 45 Ų | 45 | 78.2 Ų | 78.2 | 21% | 0.21 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 175.4 | -73.9 | 167.3 | 165.6 | 0 | 0 | 111.8 | L24 R25 L31 Q32 I123 | L24-E28 HydrophobicContact CB-CB 3.99Å; L24-E28 HydrophobicContact CD2-CB 3.62Å; L24-E28 HydrophobicContact CG-CB 4.4Å; R25-E28 HydrophobicContact CB-CB 4.38Å; R25-E28 HydrophobicContact CB-CG 4.34Å; R25-E28 WeakPolarHBondContact CB-OE2 3.41Å; R25-E28 IonicContact CZ-OE1 3.49Å; R25-E28 VanDerWaalsContact CZ-OE1 3.25Å; R25-E28 PolarHBondContact N-OE2 3.5Å; R25-E28 VanDerWaalsContact NE-CD 3.31Å; R25-E28 IonicContact NE-OE1 3.32Å; R25-E28 PolarHBondContact NE-OE1 3.43Å; R25-E28 VanDerWaalsContact NE-OE1 3.12Å; R25-E28 IonicContact NE-OE2 2.7Å; R25-E28 PolarHBondContact NE-OE2 2.92Å; R25-E28 IonicContact NH2-OE1 3.59Å; R25-E28 PolarHBondContact NH2-OE1 3.08Å; R25-E28 PolarHBondContact O-N 3.29Å; R25-E28 VanDerWaalsContact O-N 3.1Å; E28-L31 PolarHBondContact O-N 2.91Å; E28-Q32 WeakPolarHBondContact O-CG 3.29Å; E28-Q32 PolarHBondContact O-N 3.22Å; E28-I123 HydrophobicContact CB-CD1 4.15Å; E28-I123 HydrophobicContact CG-CD1 3.29Å; E28-I123 HydrophobicContact CG-CG1 4.5Å; E28-I123 HydrophobicContact CG-CG2 4.38Å |
| 29 | A | 89.1 | Confident | 86.3 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 19% | 0.19 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L24 R25 R26 L31 Q32 I33 | L24-A29 HydrophobicContact CB-CB 4.11Å; R25-A29 WeakPolarHBondContact O-CB 3.48Å; R25-A29 PolarHBondContact O-N 2.78Å; R26-A29 PolarHBondContact O-N 3.31Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 3.3Å; A29-Q32 PolarHBondContact O-N 3.2Å; A29-I33 WeakPolarHBondContact O-CB 3.38Å; A29-I33 WeakPolarHBondContact O-CD1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.48Å; A29-I33 PolarHBondContact O-N 3.33Å |
| 30 | V | 89.9 | Confident | 86.5 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 52% | 0.515 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 176.8 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | R26 I33 A34 | R26-V30 VanDerWaalsContact O-CG2 3.24Å; R26-V30 WeakPolarHBondContact O-CG2 3.49Å; R26-V30 PolarHBondContact O-N 2.91Å; V30-I33 PolarHBondContact O-N 2.97Å; V30-A34 WeakPolarHBondContact O-CB 3.37Å; V30-A34 PolarHBondContact O-N 3.5Å |
| 31 | L | 87.9 | Confident | 86.8 | Confident | 56 Ų | 56 | 76 Ų | 76 | 29% | 0.293 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.6 | -43 | 177.2 | -70.5 | 170.5 | 0 | 0 | 0 | 112.1 | E27 E28 A29 A34 D35 I123 | E27-L31 VanDerWaalsContact O-CG 3.31Å; E27-L31 WeakPolarHBondContact O-CG 3.27Å; E27-L31 PolarHBondContact O-N 3.18Å; E27-L31 VanDerWaalsContact O-N 3.12Å; E28-L31 PolarHBondContact O-N 2.91Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 3.3Å; L31-A34 PolarHBondContact O-N 2.82Å; L31-D35 WeakPolarHBondContact O-CB 3.48Å; L31-D35 PolarHBondContact O-N 3.09Å; L31-I123 HydrophobicContact CD1-CD1 3.56Å; L31-I123 HydrophobicContact CD1-CG1 3.74Å |
| 32 | Q | 87.4 | Confident | 87.3 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 175.5 | -75.8 | -166 | -11.2 | 0 | 0 | 112.2 | V20 L24 E28 A29 D35 S36 | V20-Q32 HydrophobicContact CG1-CB 4.14Å; V20-Q32 HydrophobicContact CG2-CB 4.3Å; L24-Q32 VanDerWaalsContact CD1-OE1 3.27Å; L24-Q32 HydrophobicContact CD2-CG 4.13Å; L24-Q32 VanDerWaalsContact CD2-NE2 3.3Å; E28-Q32 WeakPolarHBondContact O-CG 3.29Å; E28-Q32 PolarHBondContact O-N 3.22Å; A29-Q32 PolarHBondContact O-N 3.2Å; Q32-D35 PolarHBondContact O-N 2.98Å; Q32-S36 VanDerWaalsContact O-CB 3.32Å; Q32-S36 WeakPolarHBondContact O-CB 3.48Å; Q32-S36 PolarHBondContact O-N 3.32Å; Q32-S36 PolarHBondContact O-OG 2.91Å; Q32-S36 VanDerWaalsContact O-OG 3.11Å |
| 33 | I | 90.6 | Very high | 88.1 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 41% | 0.41 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 174.8 | -69.9 | 162.3 | 0 | 0 | 0 | 109.6 | V20 A29 V30 D35 S36 L37 | V20-I33 HydrophobicContact CG1-CG1 4.36Å; V20-I33 HydrophobicContact CG2-CG1 3.85Å; A29-I33 WeakPolarHBondContact O-CB 3.38Å; A29-I33 WeakPolarHBondContact O-CD1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.48Å; A29-I33 PolarHBondContact O-N 3.33Å; V30-I33 PolarHBondContact O-N 2.97Å; I33-D35 VanDerWaalsContact C-N 3.33Å; I33-D35 PolarHBondContact O-N 2.97Å; I33-S36 PolarHBondContact O-N 3.05Å; I33-L37 HydrophobicContact CG2-CD1 3.86Å; I33-L37 HydrophobicContact CG2-CG 4.3Å; I33-L37 WeakPolarHBondContact O-CB 3.36Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.5Å; I33-L37 PolarHBondContact O-N 3.21Å |
| 34 | A | 90.5 | Very high | 88.8 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 40% | 0.397 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | V30 L31 L37 L38 | V30-A34 WeakPolarHBondContact O-CB 3.37Å; V30-A34 PolarHBondContact O-N 3.5Å; L31-A34 PolarHBondContact O-N 2.82Å; A34-L37 PolarHBondContact O-N 2.8Å; A34-L38 WeakPolarHBondContact O-CB 3.34Å; A34-L38 PolarHBondContact O-N 3.37Å |
| 35 | D | 87.9 | Confident | 89.5 | Confident | 29 Ų | 29 | 67.9 Ų | 67.9 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 178.4 | -66.9 | -20.7 | 0 | 0 | 0 | 111.6 | L31 Q32 I33 L37 L38 Y39 R121 | L31-D35 WeakPolarHBondContact O-CB 3.48Å; L31-D35 PolarHBondContact O-N 3.09Å; Q32-D35 PolarHBondContact O-N 2.98Å; I33-D35 VanDerWaalsContact C-N 3.33Å; I33-D35 PolarHBondContact O-N 2.97Å; D35-L37 VanDerWaalsContact C-N 3.35Å; D35-L38 PolarHBondContact O-N 3.35Å; D35-Y39 WeakPolarHBondContact O-CB 3.36Å; D35-Y39 PolarHBondContact O-N 3.5Å; D35-R121 IonicContact OD1-CZ 2.68Å; D35-R121 IonicContact OD1-NH1 2.87Å; D35-R121 PolarHBondContact OD1-NH1 3.17Å; D35-R121 IonicContact OD1-NH2 3.3Å; D35-R121 PolarHBondContact OD1-NH2 3.47Å; D35-R121 IonicContact OD2-CZ 3.49Å; D35-R121 VanDerWaalsContact OD2-CZ 3.32Å; D35-R121 IonicContact OD2-NH1 3.48Å; D35-R121 PolarHBondContact OD2-NH1 3.39Å; D35-R121 IonicContact OD2-NH2 3.64Å |
| 36 | S | 89.9 | Confident | 90 | Very high | 18 Ų | 18 | 67.1 Ų | 67.1 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64 | -37.4 | 174.7 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | P18 Q32 I33 Y39 L40 | P18-S36 PolarHBondContact O-OG 3.25Å; Q32-S36 VanDerWaalsContact O-CB 3.32Å; Q32-S36 WeakPolarHBondContact O-CB 3.48Å; Q32-S36 PolarHBondContact O-N 3.32Å; Q32-S36 PolarHBondContact O-OG 2.91Å; Q32-S36 VanDerWaalsContact O-OG 3.11Å; I33-S36 PolarHBondContact O-N 3.05Å; S36-Y39 WeakPolarHBondContact O-CB 3.4Å; S36-Y39 PolarHBondContact O-N 2.83Å; S36-L40 WeakPolarHBondContact O-CB 3.33Å; S36-L40 PolarHBondContact O-N 2.85Å |
| 37 | L | 91.8 | Very high | 90.4 | Very high | 106 Ų | 106 | 59.8 Ų | 59.8 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.1 | -45.5 | 176.5 | -72.2 | 174.7 | 0 | 0 | 0 | 111.7 | I33 A34 D35 Y39 L40 E41 | I33-L37 HydrophobicContact CG2-CD1 3.86Å; I33-L37 HydrophobicContact CG2-CG 4.3Å; I33-L37 WeakPolarHBondContact O-CB 3.36Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.5Å; I33-L37 PolarHBondContact O-N 3.21Å; A34-L37 PolarHBondContact O-N 2.8Å; D35-L37 VanDerWaalsContact C-N 3.35Å; L37-Y39 VanDerWaalsContact C-N 3.25Å; L37-Y39 PolarHBondContact O-N 3.11Å; L37-L40 WeakPolarHBondContact O-CB 3.46Å; L37-L40 PolarHBondContact O-N 2.85Å; L37-E41 PolarHBondContact O-N 3.44Å |
| 38 | L | 90.1 | Very high | 90.9 | Very high | 99 Ų | 99 | 62.2 Ų | 62.2 | 52% | 0.518 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 174.9 | -176.2 | 68.4 | 0 | 0 | 0 | 110.9 | A34 D35 L40 E41 V42 | A34-L38 WeakPolarHBondContact O-CB 3.34Å; A34-L38 PolarHBondContact O-N 3.37Å; D35-L38 PolarHBondContact O-N 3.35Å; L38-L40 VanDerWaalsContact C-N 3.35Å; L38-E41 WeakPolarHBondContact O-CB 3.47Å; L38-E41 PolarHBondContact O-N 3.25Å; L38-V42 WeakPolarHBondContact O-CG2 3.43Å; L38-V42 PolarHBondContact O-N 2.69Å |
| 39 | Y | 90.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 6% | 0.055 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.8 | -169.4 | -99.5 | 0 | 0 | 0 | 112.4 | S16 V17 P18 D35 S36 L37 V42 I43 D112 P113 S114 | S16-Y39 WeakPolarHBondContact O-CE1 3.46Å; S16-Y39 PolarHBondContact O-OH 3.19Å; V17-Y39 HydrophobicContact CB-CD1 4.4Å; V17-Y39 HydrophobicContact CG1-CD1 4.32Å; V17-Y39 HydrophobicContact CG2-CD1 4.25Å; V17-Y39 HydrophobicContact CG2-CE1 4.34Å; P18-Y39 VanDerWaalsContact CD-CD1 3.42Å; P18-Y39 HydrophobicContact CG-CD1 4.4Å; D35-Y39 WeakPolarHBondContact O-CB 3.36Å; D35-Y39 PolarHBondContact O-N 3.5Å; S36-Y39 WeakPolarHBondContact O-CB 3.4Å; S36-Y39 PolarHBondContact O-N 2.83Å; L37-Y39 VanDerWaalsContact C-N 3.25Å; L37-Y39 PolarHBondContact O-N 3.11Å; Y39-V42 PolarHBondContact O-N 3.44Å; Y39-I43 HydrophobicContact CD1-CD1 3.5Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.5Å; Y39-I43 HydrophobicContact CD1-CG1 4.43Å; Y39-I43 HydrophobicContact CE1-CD1 2.99Å; Y39-I43 HydrophobicContact CE1-CG1 4.09Å; Y39-I43 HydrophobicContact CG-CD1 4.44Å; Y39-I43 WeakPolarHBondContact O-CG1 3.46Å; Y39-I43 PolarHBondContact O-N 3.44Å; Y39-D112 PolarHBondContact OH-OD1 3.42Å; Y39-D112 PolarHBondContact OH-OD2 3.46Å; Y39-P113 HydrophobicContact CD2-CB 4.17Å; Y39-P113 HydrophobicContact CD2-CG 4.13Å; Y39-P113 HydrophobicContact CE1-CG 4.49Å; Y39-P113 HydrophobicContact CE2-CB 3.46Å; Y39-P113 VanDerWaalsContact CE2-CB 3.46Å; Y39-P113 HydrophobicContact CE2-CG 3.39Å; Y39-P113 VanDerWaalsContact OH-CD 3.25Å; Y39-P113 WeakPolarHBondContact OH-CD 3.49Å; Y39-P113 WeakPolarHBondContact OH-CG 3.46Å; Y39-S114 VanDerWaalsContact CE2-N 3.26Å; Y39-S114 VanDerWaalsContact OH-CB 3.23Å; Y39-S114 WeakPolarHBondContact OH-CB 3.13Å; Y39-S114 PolarHBondContact OH-N 3.26Å |
| 40 | L | 91.6 | Very high | 91.6 | Very high | 92 Ų | 92 | 66.2 Ų | 66.2 | 48% | 0.482 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.9 | -174.8 | 150.8 | 0 | 0 | 0 | 111.5 | S36 L37 L38 I43 S44 | S36-L40 WeakPolarHBondContact O-CB 3.33Å; S36-L40 PolarHBondContact O-N 2.85Å; L37-L40 WeakPolarHBondContact O-CB 3.46Å; L37-L40 PolarHBondContact O-N 2.85Å; L38-L40 VanDerWaalsContact C-N 3.35Å; L40-I43 PolarHBondContact O-N 2.97Å; L40-S44 WeakPolarHBondContact O-CB 3.46Å; L40-S44 PolarHBondContact O-N 3.24Å |
| 41 | E | 92.9 | Very high | 91.8 | Very high | 118 Ų | 118 | 64.9 Ų | 64.9 | 55% | 0.551 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.2 | -46.3 | 176.1 | -178.2 | -179.1 | -169.7 | 0 | 0 | 111.9 | L37 L38 S44 T45 | L37-E41 PolarHBondContact O-N 3.44Å; L38-E41 WeakPolarHBondContact O-CB 3.47Å; L38-E41 PolarHBondContact O-N 3.25Å; E41-S44 PolarHBondContact O-N 3.01Å; E41-T45 WeakPolarHBondContact O-CB 3.49Å; E41-T45 PolarHBondContact O-N 3.5Å; E41-T45 PolarHBondContact O-OG1 2.87Å |
| 42 | V | 92.1 | Very high | 92.2 | Very high | 75 Ų | 75 | 65.2 Ų | 65.2 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 111 | L38 Y39 T45 D46 P113 | L38-V42 WeakPolarHBondContact O-CG2 3.43Å; L38-V42 PolarHBondContact O-N 2.69Å; Y39-V42 PolarHBondContact O-N 3.44Å; V42-T45 PolarHBondContact O-N 3.48Å; V42-D46 PolarHBondContact O-N 2.97Å; V42-P113 HydrophobicContact CG1-CG 4.25Å |
| 43 | I | 92.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 66.8 Ų | 66.8 | 6% | 0.056 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 177 | -73.5 | 170.5 | 0 | 0 | 0 | 110.8 | Y15 V17 Y39 L40 T45 D46 I47 P113 | Y15-I43 HydrophobicContact CD1-CB 4.5Å; Y15-I43 HydrophobicContact CD1-CD1 4.32Å; Y15-I43 HydrophobicContact CD1-CG1 3.88Å; Y15-I43 HydrophobicContact CD1-CG2 4.02Å; Y15-I43 HydrophobicContact CD2-CG2 4.14Å; Y15-I43 HydrophobicContact CG-CD1 4.43Å; Y15-I43 HydrophobicContact CG-CG1 4.3Å; Y15-I43 HydrophobicContact CG-CG2 3.77Å; V17-I43 HydrophobicContact CG2-CD1 4Å; Y39-I43 HydrophobicContact CD1-CD1 3.5Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.5Å; Y39-I43 HydrophobicContact CD1-CG1 4.43Å; Y39-I43 HydrophobicContact CE1-CD1 2.99Å; Y39-I43 HydrophobicContact CE1-CG1 4.09Å; Y39-I43 HydrophobicContact CG-CD1 4.44Å; Y39-I43 WeakPolarHBondContact O-CG1 3.46Å; Y39-I43 PolarHBondContact O-N 3.44Å; L40-I43 PolarHBondContact O-N 2.97Å; I43-T45 VanDerWaalsContact C-N 3.31Å; I43-T45 PolarHBondContact O-N 3.29Å; I43-D46 PolarHBondContact O-N 3.47Å; I43-I47 HydrophobicContact CG2-CD1 3.49Å; I43-I47 VanDerWaalsContact CG2-CD1 3.49Å; I43-I47 HydrophobicContact CG2-CG1 4.12Å; I43-I47 VanDerWaalsContact O-CG1 3.27Å; I43-I47 WeakPolarHBondContact O-CG1 3.39Å; I43-I47 PolarHBondContact O-N 3.3Å; I43-P113 HydrophobicContact CD1-CG 4.34Å; I43-P113 HydrophobicContact CG1-CG 3.82Å |
| 44 | S | 93.2 | Very high | 92.8 | Very high | 41 Ų | 41 | 64.7 Ų | 64.7 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.3 | -47.4 | -179.3 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | L40 E41 D46 I47 F48 | L40-S44 WeakPolarHBondContact O-CB 3.46Å; L40-S44 PolarHBondContact O-N 3.24Å; E41-S44 PolarHBondContact O-N 3.01Å; S44-D46 PolarHBondContact O-N 3.34Å; S44-I47 PolarHBondContact O-N 3.31Å; S44-F48 WeakPolarHBondContact O-CD2 3.45Å; S44-F48 PolarHBondContact O-N 2.94Å; S44-F48 WeakPolarHBondContact OG-CD2 3.32Å; S44-F48 VanDerWaalsContact OG-CE2 3.29Å; S44-F48 WeakPolarHBondContact OG-CE2 3.43Å |
| 45 | T | 94.1 | Very high | 93.2 | Very high | 87 Ų | 87 | 66.7 Ų | 66.7 | 53% | 0.534 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | E41 V42 I43 R49 | E41-T45 WeakPolarHBondContact O-CB 3.49Å; E41-T45 PolarHBondContact O-N 3.5Å; E41-T45 PolarHBondContact O-OG1 2.87Å; V42-T45 PolarHBondContact O-N 3.48Å; I43-T45 VanDerWaalsContact C-N 3.31Å; I43-T45 PolarHBondContact O-N 3.29Å; T45-R49 WeakPolarHBondContact O-CB 3.42Å; T45-R49 PolarHBondContact O-N 3.23Å |
| 46 | D | 92.8 | Very high | 93.6 | Very high | 33 Ų | 33 | 70 Ų | 70 | 18% | 0.176 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 175.8 | -167.5 | 51 | 0 | 0 | 0 | 112.3 | Y15 V42 I43 S44 R49 R50 | Y15-D46 PolarHBondContact OH-OD2 2.95Å; V42-D46 PolarHBondContact O-N 2.97Å; I43-D46 PolarHBondContact O-N 3.47Å; S44-D46 PolarHBondContact O-N 3.34Å; D46-R49 PolarHBondContact O-N 3.44Å; D46-R49 IonicContact OD1-CZ 2.74Å; D46-R49 IonicContact OD1-NE 3.93Å; D46-R49 PolarHBondContact OD1-NE 2.91Å; D46-R49 IonicContact OD1-NH2 3.66Å; D46-R49 PolarHBondContact OD1-NH2 2.86Å; D46-R50 VanDerWaalsContact O-CG 3.29Å; D46-R50 WeakPolarHBondContact O-CG 3.33Å; D46-R50 PolarHBondContact O-N 3.15Å; D46-R50 IonicContact OD1-NE 3.97Å; D46-R50 PolarHBondContact OD1-NE 2.91Å; D46-R50 IonicContact OD1-NH2 2.69Å; D46-R50 IonicContact OD2-CZ 2.84Å; D46-R50 IonicContact OD2-NE 3.51Å; D46-R50 PolarHBondContact OD2-NE 3.2Å; D46-R50 IonicContact OD2-NH2 3.77Å |
| 47 | I | 93.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 75 Ų | 75 | 26% | 0.262 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.6 | -53 | 176 | -68.5 | 169.3 | 0 | 0 | 0 | 110 | Y15 I43 S44 R49 R50 V51 F107 | Y15-I47 HydrophobicContact CD2-CD1 4.12Å; Y15-I47 HydrophobicContact CD2-CG1 4.14Å; Y15-I47 HydrophobicContact CE2-CD1 4.18Å; Y15-I47 HydrophobicContact CE2-CG1 3.68Å; I43-I47 HydrophobicContact CG2-CD1 3.49Å; I43-I47 VanDerWaalsContact CG2-CD1 3.49Å; I43-I47 HydrophobicContact CG2-CG1 4.12Å; I43-I47 VanDerWaalsContact O-CG1 3.27Å; I43-I47 WeakPolarHBondContact O-CG1 3.39Å; I43-I47 PolarHBondContact O-N 3.3Å; S44-I47 PolarHBondContact O-N 3.31Å; I47-R49 VanDerWaalsContact C-N 3.3Å; I47-R49 PolarHBondContact O-N 3.45Å; I47-R50 PolarHBondContact O-N 2.93Å; I47-V51 HydrophobicContact CG2-CG2 4.33Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.41Å; I47-V51 PolarHBondContact O-N 2.84Å; I47-F107 HydrophobicContact CB-CE1 4.33Å; I47-F107 HydrophobicContact CG1-CE1 3.91Å; I47-F107 HydrophobicContact CG1-CZ 4.47Å; I47-F107 HydrophobicContact CG2-CE1 4.15Å; I47-F107 HydrophobicContact CG2-CZ 4.12Å |
| 48 | F | 95.3 | Very high | 94.1 | Very high | 133 Ų | 133 | 73.5 Ų | 73.5 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | -178.5 | -77.3 | -61.8 | 0 | 0 | 0 | 112.2 | S44 V51 S52 | S44-F48 WeakPolarHBondContact O-CD2 3.45Å; S44-F48 PolarHBondContact O-N 2.94Å; S44-F48 WeakPolarHBondContact OG-CD2 3.32Å; S44-F48 VanDerWaalsContact OG-CE2 3.29Å; S44-F48 WeakPolarHBondContact OG-CE2 3.43Å; F48-V51 PolarHBondContact O-N 2.97Å; F48-S52 VanDerWaalsContact O-CB 3.3Å; F48-S52 WeakPolarHBondContact O-CB 3.39Å; F48-S52 PolarHBondContact O-N 2.88Å; F48-S52 PolarHBondContact O-OG 3.14Å |
| 49 | R | 94.6 | Very high | 94.4 | Very high | 106 Ų | 106 | 76.8 Ų | 76.8 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 174.2 | -176.4 | -174.7 | 64.2 | 79.4 | -0.1 | 111.4 | T45 D46 I47 V51 S52 E53 | T45-R49 WeakPolarHBondContact O-CB 3.42Å; T45-R49 PolarHBondContact O-N 3.23Å; D46-R49 PolarHBondContact O-N 3.44Å; D46-R49 IonicContact OD1-CZ 2.74Å; D46-R49 IonicContact OD1-NE 3.93Å; D46-R49 PolarHBondContact OD1-NE 2.91Å; D46-R49 IonicContact OD1-NH2 3.66Å; D46-R49 PolarHBondContact OD1-NH2 2.86Å; I47-R49 VanDerWaalsContact C-N 3.3Å; I47-R49 PolarHBondContact O-N 3.45Å; R49-V51 PolarHBondContact O-N 3.36Å; R49-S52 WeakPolarHBondContact O-CB 3.41Å; R49-S52 PolarHBondContact O-N 3.24Å; R49-E53 WeakPolarHBondContact CG-OE1 3.31Å; R49-E53 IonicContact CZ-OE1 2.76Å; R49-E53 VanDerWaalsContact NH1-CD 3.34Å; R49-E53 IonicContact NH1-OE1 3.34Å; R49-E53 PolarHBondContact NH1-OE1 2.74Å; R49-E53 IonicContact NH1-OE2 3.59Å; R49-E53 PolarHBondContact NH1-OE2 3.43Å; R49-E53 WeakPolarHBondContact O-CG 3.47Å; R49-E53 PolarHBondContact O-N 3.48Å |
| 50 | R | 94.2 | Very high | 94.8 | Very high | 45 Ų | 45 | 83 Ų | 83 | 17% | 0.17 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 179.4 | -71 | 170.7 | -177.2 | -86.3 | -3.6 | 112.9 | Y15 D46 I47 S52 E53 S54 | Y15-R50 PolarHBondContact OH-NE 3.48Å; D46-R50 VanDerWaalsContact O-CG 3.29Å; D46-R50 WeakPolarHBondContact O-CG 3.33Å; D46-R50 PolarHBondContact O-N 3.15Å; D46-R50 IonicContact OD1-NE 3.97Å; D46-R50 PolarHBondContact OD1-NE 2.91Å; D46-R50 IonicContact OD1-NH2 2.69Å; D46-R50 IonicContact OD2-CZ 2.84Å; D46-R50 IonicContact OD2-NE 3.51Å; D46-R50 PolarHBondContact OD2-NE 3.2Å; D46-R50 IonicContact OD2-NH2 3.77Å; I47-R50 PolarHBondContact O-N 2.93Å; R50-S52 VanDerWaalsContact C-N 3.33Å; R50-E53 PolarHBondContact O-N 3.46Å; R50-S54 WeakPolarHBondContact O-CB 3.41Å; R50-S54 PolarHBondContact O-N 3.3Å |
| 51 | V | 95.6 | Very high | 95 | Very high | 57 Ų | 57 | 83.7 Ų | 83.7 | 35% | 0.345 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 109.8 | I47 F48 R49 S54 V55 I106 | I47-V51 HydrophobicContact CG2-CG2 4.33Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.41Å; I47-V51 PolarHBondContact O-N 2.84Å; F48-V51 PolarHBondContact O-N 2.97Å; R49-V51 PolarHBondContact O-N 3.36Å; V51-S54 WeakPolarHBondContact O-CB 3.21Å; V51-S54 PolarHBondContact O-N 3.31Å; V51-V55 HydrophobicContact CG1-CG2 4.41Å; V51-V55 VanDerWaalsContact O-CG2 3.31Å; V51-V55 WeakPolarHBondContact O-CG2 3.29Å; V51-V55 PolarHBondContact O-N 3.27Å; V51-I106 HydrophobicContact CG2-CD1 3.74Å |
| 52 | S | 96.6 | Very high | 95.3 | Very high | 63 Ų | 63 | 84 Ų | 84 | 44% | 0.441 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 178.8 | -58 | 0 | 0 | 0 | 0 | 111.8 | F48 R49 R50 S54 V55 E56 | F48-S52 VanDerWaalsContact O-CB 3.3Å; F48-S52 WeakPolarHBondContact O-CB 3.39Å; F48-S52 PolarHBondContact O-N 2.88Å; F48-S52 PolarHBondContact O-OG 3.14Å; R49-S52 WeakPolarHBondContact O-CB 3.41Å; R49-S52 PolarHBondContact O-N 3.24Å; R50-S52 VanDerWaalsContact C-N 3.33Å; S52-S54 VanDerWaalsContact C-N 3.3Å; S52-S54 PolarHBondContact O-N 3.47Å; S52-V55 PolarHBondContact O-N 3.25Å; S52-E56 WeakPolarHBondContact O-CG 3.3Å; S52-E56 PolarHBondContact O-N 3Å |
| 53 | E | 96 | Very high | 95.6 | Very high | 96 Ų | 96 | 84.9 Ų | 84.9 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.8 | -40.8 | 175.6 | -73.8 | 170.4 | -171.4 | 0 | 0 | 112.2 | R49 R50 E56 K57 | R49-E53 WeakPolarHBondContact CG-OE1 3.31Å; R49-E53 IonicContact CZ-OE1 2.76Å; R49-E53 VanDerWaalsContact NH1-CD 3.34Å; R49-E53 IonicContact NH1-OE1 3.34Å; R49-E53 PolarHBondContact NH1-OE1 2.74Å; R49-E53 IonicContact NH1-OE2 3.59Å; R49-E53 PolarHBondContact NH1-OE2 3.43Å; R49-E53 WeakPolarHBondContact O-CG 3.47Å; R49-E53 PolarHBondContact O-N 3.48Å; R50-E53 PolarHBondContact O-N 3.46Å; E53-E56 PolarHBondContact O-N 3.34Å; E53-K57 WeakPolarHBondContact O-CB 3.33Å; E53-K57 PolarHBondContact O-N 3.3Å |
| 54 | S | 94.9 | Very high | 95.8 | Very high | 36 Ų | 36 | 87.5 Ų | 87.5 | 25% | 0.252 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 176.1 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | R50 V51 S52 E56 K57 N58 | R50-S54 WeakPolarHBondContact O-CB 3.41Å; R50-S54 PolarHBondContact O-N 3.3Å; V51-S54 WeakPolarHBondContact O-CB 3.21Å; V51-S54 PolarHBondContact O-N 3.31Å; S52-S54 VanDerWaalsContact C-N 3.3Å; S52-S54 PolarHBondContact O-N 3.47Å; S54-E56 VanDerWaalsContact C-N 3.34Å; S54-E56 PolarHBondContact O-N 2.91Å; S54-K57 PolarHBondContact O-N 3.25Å; S54-N58 VanDerWaalsContact O-CG 3.31Å; S54-N58 PolarHBondContact O-N 2.68Å; S54-N58 PolarHBondContact O-ND2 3.33Å |
| 55 | V | 97.1 | Very high | 96 | Very high | 90 Ų | 90 | 88.8 Ų | 88.8 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 176 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | V51 S52 N58 R59 | V51-V55 HydrophobicContact CG1-CG2 4.41Å; V51-V55 VanDerWaalsContact O-CG2 3.31Å; V51-V55 WeakPolarHBondContact O-CG2 3.29Å; V51-V55 PolarHBondContact O-N 3.27Å; S52-V55 PolarHBondContact O-N 3.25Å; V55-N58 PolarHBondContact O-N 3.48Å; V55-R59 WeakPolarHBondContact O-CB 3.47Å; V55-R59 PolarHBondContact O-N 3.49Å |
| 56 | E | 97.3 | Very high | 96.2 | Very high | 100 Ų | 100 | 87 Ų | 87 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.9 | -74.8 | -175.1 | -166 | 0 | 0 | 112.7 | S52 E53 S54 N58 R59 R60 | S52-E56 WeakPolarHBondContact O-CG 3.3Å; S52-E56 PolarHBondContact O-N 3Å; E53-E56 PolarHBondContact O-N 3.34Å; S54-E56 VanDerWaalsContact C-N 3.34Å; S54-E56 PolarHBondContact O-N 2.91Å; E56-N58 VanDerWaalsContact C-N 3.31Å; E56-N58 PolarHBondContact O-N 3Å; E56-R59 WeakPolarHBondContact O-CB 3.48Å; E56-R59 PolarHBondContact O-N 3.41Å; E56-R60 WeakPolarHBondContact O-CG 3.32Å; E56-R60 PolarHBondContact O-N 2.66Å; E56-R60 IonicContact OE2-NH2 3.04Å; E56-R60 PolarHBondContact OE2-NH2 3.29Å |
| 57 | K | 95.7 | Very high | 96.4 | Very high | 122 Ų | 122 | 89.5 Ų | 89.5 | 53% | 0.53 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 175.7 | -177.2 | -178.5 | 177.5 | -177.1 | 0 | 110.8 | E53 S54 R60 Q61 | E53-K57 WeakPolarHBondContact O-CB 3.33Å; E53-K57 PolarHBondContact O-N 3.3Å; S54-K57 PolarHBondContact O-N 3.25Å; K57-R60 PolarHBondContact O-N 3.02Å; K57-Q61 WeakPolarHBondContact O-CG 3.47Å; K57-Q61 PolarHBondContact O-N 3.46Å |
| 58 | N | 95.8 | Very high | 96.6 | Very high | 75 Ų | 75 | 95.6 Ų | 95.6 | 40% | 0.401 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 177.9 | -68.8 | -16.3 | 0 | 0 | 0 | 111.8 | S54 V55 E56 R60 Q61 L62 | S54-N58 VanDerWaalsContact O-CG 3.31Å; S54-N58 PolarHBondContact O-N 2.68Å; S54-N58 PolarHBondContact O-ND2 3.33Å; V55-N58 PolarHBondContact O-N 3.48Å; E56-N58 VanDerWaalsContact C-N 3.31Å; E56-N58 PolarHBondContact O-N 3Å; N58-R60 PolarHBondContact O-N 3.36Å; N58-Q61 WeakPolarHBondContact O-CB 3.39Å; N58-Q61 PolarHBondContact O-N 2.9Å; N58-L62 WeakPolarHBondContact O-CG 3.29Å; N58-L62 PolarHBondContact O-N 3.25Å |
| 59 | R | 97.8 | Very high | 96.7 | Very high | 167 Ų | 167 | 94.2 Ų | 94.2 | 63% | 0.63 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.4 | -44.5 | 174.1 | -178.5 | 178.1 | 171.8 | 142.4 | -2.6 | 111.7 | V55 E56 Q61 L62 Q63 | V55-R59 WeakPolarHBondContact O-CB 3.47Å; V55-R59 PolarHBondContact O-N 3.49Å; E56-R59 WeakPolarHBondContact O-CB 3.48Å; E56-R59 PolarHBondContact O-N 3.41Å; R59-Q61 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 2.7Å; R59-L62 PolarHBondContact O-N 3.21Å; R59-Q63 WeakPolarHBondContact O-CG 3.14Å; R59-Q63 PolarHBondContact O-N 2.91Å |
| 60 | R | 97.9 | Very high | 96.9 | Very high | 146 Ų | 146 | 97 Ų | 97 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 175.9 | -66.7 | 176 | -145.7 | 145.5 | 5.3 | 111.6 | E56 K57 N58 Q63 S64 | E56-R60 WeakPolarHBondContact O-CG 3.32Å; E56-R60 PolarHBondContact O-N 2.66Å; E56-R60 IonicContact OE2-NH2 3.04Å; E56-R60 PolarHBondContact OE2-NH2 3.29Å; K57-R60 PolarHBondContact O-N 3.02Å; N58-R60 PolarHBondContact O-N 3.36Å; R60-Q63 PolarHBondContact O-N 3.21Å; R60-S64 PolarHBondContact O-N 3.47Å |
| 61 | Q | 96.3 | Very high | 97 | Very high | 105 Ų | 105 | 99.6 Ų | 99.6 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 174.2 | -71.7 | 178.5 | -5.1 | 0 | 0 | 111.8 | K57 N58 R59 Q63 S64 V65 | K57-Q61 WeakPolarHBondContact O-CG 3.47Å; K57-Q61 PolarHBondContact O-N 3.46Å; N58-Q61 WeakPolarHBondContact O-CB 3.39Å; N58-Q61 PolarHBondContact O-N 2.9Å; R59-Q61 VanDerWaalsContact C-N 3.33Å; R59-Q61 PolarHBondContact O-N 2.7Å; Q61-Q63 VanDerWaalsContact C-N 3.33Å; Q61-Q63 PolarHBondContact O-N 2.9Å; Q61-S64 WeakPolarHBondContact O-CB 3.21Å; Q61-S64 PolarHBondContact O-N 3.32Å; Q61-V65 WeakPolarHBondContact O-CG2 3.31Å; Q61-V65 PolarHBondContact O-N 3.34Å |
| 62 | L | 97.8 | Very high | 97 | Very high | 125 Ų | 125 | 99.3 Ų | 99.3 | 65% | 0.654 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62 | -39.5 | 176.1 | -75.2 | 170.9 | 0 | 0 | 0 | 112.3 | N58 R59 V65 S66 | N58-L62 WeakPolarHBondContact O-CG 3.29Å; N58-L62 PolarHBondContact O-N 3.25Å; R59-L62 PolarHBondContact O-N 3.21Å; L62-V65 PolarHBondContact O-N 3.41Å; L62-S66 WeakPolarHBondContact O-CB 3.32Å; L62-S66 PolarHBondContact O-N 3.1Å |
| 63 | Q | 98.1 | Very high | 97 | Very high | 93 Ų | 93 | 100.9 Ų | 100.9 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 173.9 | -74.7 | 172.6 | -16.9 | 0 | 0 | 111.2 | R59 R60 Q61 V65 S66 D67 | R59-Q63 WeakPolarHBondContact O-CG 3.14Å; R59-Q63 PolarHBondContact O-N 2.91Å; R60-Q63 PolarHBondContact O-N 3.21Å; Q61-Q63 VanDerWaalsContact C-N 3.33Å; Q61-Q63 PolarHBondContact O-N 2.9Å; Q63-V65 VanDerWaalsContact C-N 3.3Å; Q63-V65 PolarHBondContact O-N 2.82Å; Q63-S66 WeakPolarHBondContact O-CB 3.47Å; Q63-S66 PolarHBondContact O-N 2.96Å; Q63-S66 VanDerWaalsContact O-N 3.11Å; Q63-D67 VanDerWaalsContact O-CG 3.31Å; Q63-D67 PolarHBondContact O-N 2.9Å |
| 64 | S | 98 | Very high | 96.9 | Very high | 67 Ų | 67 | 99 Ų | 99 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | R60 Q61 R68 | R60-S64 PolarHBondContact O-N 3.47Å; Q61-S64 WeakPolarHBondContact O-CB 3.21Å; Q61-S64 PolarHBondContact O-N 3.32Å; S64-R68 VanDerWaalsContact O-CG 3.27Å; S64-R68 WeakPolarHBondContact O-CG 3.42Å; S64-R68 PolarHBondContact O-N 3.02Å |
| 65 | V | 97 | Very high | 96.8 | Very high | 68 Ų | 68 | 105.1 Ų | 105.1 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 175.7 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | Q61 L62 Q63 D67 R68 I69 | Q61-V65 WeakPolarHBondContact O-CG2 3.31Å; Q61-V65 PolarHBondContact O-N 3.34Å; L62-V65 PolarHBondContact O-N 3.41Å; Q63-V65 VanDerWaalsContact C-N 3.3Å; Q63-V65 PolarHBondContact O-N 2.82Å; V65-D67 VanDerWaalsContact C-N 3.33Å; V65-D67 PolarHBondContact O-N 3.41Å; V65-R68 WeakPolarHBondContact O-CB 3.43Å; V65-R68 PolarHBondContact O-N 3.43Å; V65-I69 HydrophobicContact CG1-CD1 3.84Å; V65-I69 HydrophobicContact CG1-CG1 4.45Å; V65-I69 VanDerWaalsContact O-CG1 3.29Å; V65-I69 WeakPolarHBondContact O-CG1 3.43Å; V65-I69 PolarHBondContact O-N 2.91Å |
| 66 | S | 98 | Very high | 96.7 | Very high | 49 Ų | 49 | 104.6 Ų | 104.6 | 34% | 0.343 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 177.2 | -167.6 | 0 | 0 | 0 | 0 | 111.8 | L62 Q63 R68 I69 R70 | L62-S66 WeakPolarHBondContact O-CB 3.32Å; L62-S66 PolarHBondContact O-N 3.1Å; Q63-S66 WeakPolarHBondContact O-CB 3.47Å; Q63-S66 PolarHBondContact O-N 2.96Å; Q63-S66 VanDerWaalsContact O-N 3.11Å; S66-R68 PolarHBondContact O-N 2.83Å; S66-I69 WeakPolarHBondContact O-CB 3.31Å; S66-I69 PolarHBondContact O-N 3.47Å; S66-R70 WeakPolarHBondContact O-CG 3.38Å; S66-R70 PolarHBondContact O-N 3.43Å |
| 67 | D | 98.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 103.4 Ų | 103.4 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 177.8 | -67.6 | -25.8 | 0 | 0 | 0 | 111.8 | Q63 V65 I69 R70 L71 | Q63-D67 VanDerWaalsContact O-CG 3.31Å; Q63-D67 PolarHBondContact O-N 2.9Å; V65-D67 VanDerWaalsContact C-N 3.33Å; V65-D67 PolarHBondContact O-N 3.41Å; D67-I69 VanDerWaalsContact C-N 3.35Å; D67-R70 PolarHBondContact O-N 3.26Å; D67-R70 IonicContact OD1-NH1 3.12Å; D67-R70 PolarHBondContact OD1-NH1 2.85Å; D67-L71 WeakPolarHBondContact O-CB 3.49Å; D67-L71 PolarHBondContact O-N 2.97Å |
| 68 | R | 96.7 | Very high | 96.4 | Very high | 178 Ų | 178 | 106.3 Ų | 106.3 | 67% | 0.672 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 172 | -74 | 170 | 60.3 | -164.5 | -2 | 112.1 | S64 V65 S66 L71 A72 | S64-R68 VanDerWaalsContact O-CG 3.27Å; S64-R68 WeakPolarHBondContact O-CG 3.42Å; S64-R68 PolarHBondContact O-N 3.02Å; V65-R68 WeakPolarHBondContact O-CB 3.43Å; V65-R68 PolarHBondContact O-N 3.43Å; S66-R68 PolarHBondContact O-N 2.83Å; R68-L71 PolarHBondContact O-N 3.43Å; R68-A72 WeakPolarHBondContact O-CB 3.39Å; R68-A72 PolarHBondContact O-N 3.1Å |
| 69 | I | 97.3 | Very high | 96.1 | Very high | 105 Ų | 105 | 107 Ų | 107 | 54% | 0.538 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 175.8 | -68.9 | 165.7 | 0 | 0 | 0 | 110.1 | V65 S66 D67 L71 A72 Q73 | V65-I69 HydrophobicContact CG1-CD1 3.84Å; V65-I69 HydrophobicContact CG1-CG1 4.45Å; V65-I69 VanDerWaalsContact O-CG1 3.29Å; V65-I69 WeakPolarHBondContact O-CG1 3.43Å; V65-I69 PolarHBondContact O-N 2.91Å; S66-I69 WeakPolarHBondContact O-CB 3.31Å; S66-I69 PolarHBondContact O-N 3.47Å; D67-I69 VanDerWaalsContact C-N 3.35Å; I69-L71 PolarHBondContact O-N 3.31Å; I69-A72 PolarHBondContact O-N 3.48Å; I69-Q73 WeakPolarHBondContact O-CB 3.37Å; I69-Q73 PolarHBondContact O-N 3.32Å |
| 70 | R | 98.1 | Very high | 95.7 | Very high | 165 Ų | 165 | 106.6 Ų | 106.6 | 62% | 0.623 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.7 | -43.9 | 176.2 | -73.2 | 170.2 | 177.6 | 168.9 | -5.8 | 112.1 | S66 D67 Q73 A74 | S66-R70 WeakPolarHBondContact O-CG 3.38Å; S66-R70 PolarHBondContact O-N 3.43Å; D67-R70 PolarHBondContact O-N 3.26Å; D67-R70 IonicContact OD1-NH1 3.12Å; D67-R70 PolarHBondContact OD1-NH1 2.85Å; R70-Q73 PolarHBondContact O-N 3.25Å; R70-A74 WeakPolarHBondContact O-CB 3.43Å; R70-A74 PolarHBondContact O-N 3.32Å |
| 71 | L | 96.8 | Very high | 95.2 | Very high | 98 Ų | 98 | 103.2 Ų | 103.2 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.7 | -177.1 | 66.4 | 0 | 0 | 0 | 111.6 | D67 R68 I69 A74 R75 | D67-L71 WeakPolarHBondContact O-CB 3.49Å; D67-L71 PolarHBondContact O-N 2.97Å; R68-L71 PolarHBondContact O-N 3.43Å; I69-L71 PolarHBondContact O-N 3.31Å; L71-A74 PolarHBondContact O-N 3.21Å; L71-R75 WeakPolarHBondContact O-CG 3.48Å; L71-R75 PolarHBondContact O-N 3.27Å; L71-R75 VanDerWaalsContact O-N 3.08Å |
| 72 | A | 95.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 101 Ų | 101 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R68 I69 A74 R75 V76 | R68-A72 WeakPolarHBondContact O-CB 3.39Å; R68-A72 PolarHBondContact O-N 3.1Å; I69-A72 PolarHBondContact O-N 3.48Å; A72-A74 PolarHBondContact O-N 3.11Å; A72-R75 WeakPolarHBondContact O-CB 3.16Å; A72-R75 PolarHBondContact O-N 2.63Å; A72-V76 WeakPolarHBondContact O-CG2 3.25Å; A72-V76 PolarHBondContact O-N 3.11Å |
| 73 | Q | 96.4 | Very high | 94.3 | Very high | 96 Ų | 96 | 105.3 Ų | 105.3 | 45% | 0.449 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 176.6 | -172.9 | 58.7 | 39.7 | 0 | 0 | 111.3 | I69 R70 R75 V76 D77 | I69-Q73 WeakPolarHBondContact O-CB 3.37Å; I69-Q73 PolarHBondContact O-N 3.32Å; R70-Q73 PolarHBondContact O-N 3.25Å; Q73-R75 VanDerWaalsContact C-N 3.27Å; Q73-R75 PolarHBondContact O-N 3.12Å; Q73-V76 WeakPolarHBondContact O-CB 3.42Å; Q73-V76 PolarHBondContact O-N 3.08Å; Q73-V76 VanDerWaalsContact O-N 3.08Å; Q73-D77 PolarHBondContact NE2-OD1 2.87Å; Q73-D77 VanDerWaalsContact NE2-OD1 3.09Å; Q73-D77 PolarHBondContact NE2-OD2 3.49Å; Q73-D77 VanDerWaalsContact O-CG 3.3Å; Q73-D77 PolarHBondContact O-N 3.25Å |
| 74 | A | 95.9 | Very high | 93.9 | Very high | 58 Ų | 58 | 109 Ų | 109 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.1 | -36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R70 L71 A72 K78 | R70-A74 WeakPolarHBondContact O-CB 3.43Å; R70-A74 PolarHBondContact O-N 3.32Å; L71-A74 PolarHBondContact O-N 3.21Å; A72-A74 PolarHBondContact O-N 3.11Å; A74-K78 PolarHBondContact O-N 2.98Å; A74-K78 VanDerWaalsContact O-N 3.08Å |
| 75 | R | 92.8 | Very high | 93.4 | Very high | 163 Ų | 163 | 111.3 Ų | 111.3 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.4 | -41.2 | 174.1 | -70.8 | 174.4 | -177.8 | -165.1 | 1 | 111.9 | L71 A72 Q73 K78 I79 | L71-R75 WeakPolarHBondContact O-CG 3.48Å; L71-R75 PolarHBondContact O-N 3.27Å; L71-R75 VanDerWaalsContact O-N 3.08Å; A72-R75 WeakPolarHBondContact O-CB 3.16Å; A72-R75 PolarHBondContact O-N 2.63Å; Q73-R75 VanDerWaalsContact C-N 3.27Å; Q73-R75 PolarHBondContact O-N 3.12Å; R75-K78 PolarHBondContact O-N 3.03Å; R75-I79 WeakPolarHBondContact O-CG1 3.48Å; R75-I79 PolarHBondContact O-N 3.24Å |
| 76 | V | 93.3 | Very high | 92.9 | Very high | 80 Ų | 80 | 111.9 Ų | 111.9 | 49% | 0.485 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.9 | -46.1 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | A72 Q73 K78 I79 K80 | A72-V76 WeakPolarHBondContact O-CG2 3.25Å; A72-V76 PolarHBondContact O-N 3.11Å; Q73-V76 WeakPolarHBondContact O-CB 3.42Å; Q73-V76 PolarHBondContact O-N 3.08Å; Q73-V76 VanDerWaalsContact O-N 3.08Å; V76-K78 VanDerWaalsContact C-N 3.26Å; V76-K78 PolarHBondContact O-N 3.01Å; V76-I79 CarbonylContact O-C 3.49Å; V76-I79 PolarHBondContact O-N 2.56Å; V76-K80 WeakPolarHBondContact O-CB 3.23Å; V76-K80 PolarHBondContact O-N 2.99Å |
| 77 | D | 94.8 | Very high | 92.5 | Very high | 75 Ų | 75 | 117.3 Ų | 117.3 | 40% | 0.401 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.1 | -32.5 | 179.5 | -67.9 | -31.6 | 0 | 0 | 0 | 112.2 | Q73 I79 K80 | Q73-D77 PolarHBondContact NE2-OD1 2.87Å; Q73-D77 VanDerWaalsContact NE2-OD1 3.09Å; Q73-D77 PolarHBondContact NE2-OD2 3.49Å; Q73-D77 VanDerWaalsContact O-CG 3.3Å; Q73-D77 PolarHBondContact O-N 3.25Å; D77-I79 VanDerWaalsContact C-N 3.33Å; D77-I79 PolarHBondContact O-N 3.38Å; D77-K80 PolarHBondContact O-N 3.34Å |
| 78 | K | 91.5 | Very high | 92 | Very high | 183 Ų | 183 | 119 Ų | 119 | 80% | 0.796 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.1 | -32.8 | 172.2 | -174.4 | 175.8 | -179.1 | 177.2 | 0 | 113.3 | A74 R75 V76 | A74-K78 PolarHBondContact O-N 2.98Å; A74-K78 VanDerWaalsContact O-N 3.08Å; R75-K78 PolarHBondContact O-N 3.03Å; V76-K78 VanDerWaalsContact C-N 3.26Å; V76-K78 PolarHBondContact O-N 3.01Å |
| 79 | I | 90.1 | Very high | 91.6 | Very high | 88 Ų | 88 | 118.5 Ų | 118.5 | 45% | 0.451 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -86.2 | -30.3 | 179.3 | -61.7 | 167.3 | 0 | 0 | 0 | 110.5 | R75 V76 D77 G81 S82 | R75-I79 WeakPolarHBondContact O-CG1 3.48Å; R75-I79 PolarHBondContact O-N 3.24Å; V76-I79 CarbonylContact O-C 3.49Å; V76-I79 PolarHBondContact O-N 2.56Å; D77-I79 VanDerWaalsContact C-N 3.33Å; D77-I79 PolarHBondContact O-N 3.38Å; I79-G81 PolarHBondContact O-N 2.93Å; I79-S82 WeakPolarHBondContact O-CB 3.34Å; I79-S82 PolarHBondContact O-N 3.27Å |
| 80 | K | 90.3 | Very high | 91.1 | Very high | 159 Ų | 159 | 118.7 Ų | 118.7 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 116.2 | 179.7 | -172 | 178.7 | 178.8 | -177.4 | 0 | 110.1 | V76 D77 | V76-K80 WeakPolarHBondContact O-CB 3.23Å; V76-K80 PolarHBondContact O-N 2.99Å; D77-K80 PolarHBondContact O-N 3.34Å |
| 81 | G | 86.8 | Confident | 90.7 | Very high | 76 Ų | 76 | 115.1 Ų | 115.1 | 78% | 0.784 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.7 | -2.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | I79 K83 | I79-G81 PolarHBondContact O-N 2.93Å; G81-K83 PolarHBondContact O-N 3.46Å |
| 82 | S | 86.7 | Confident | 90.1 | Very high | 58 Ų | 58 | 115.8 Ų | 115.8 | 41% | 0.406 | 65% | 0.648 | S | S | . | * | trans | -65.2 | 129.2 | 168.7 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | I79 K84 | I79-S82 WeakPolarHBondContact O-CB 3.34Å; I79-S82 PolarHBondContact O-N 3.27Å; S82-K84 PolarHBondContact O-N 3.5Å; S82-K84 PolarHBondContact OG-N 2.86Å | ||
| 83 | K | 88.8 | Confident | 89.8 | Confident | 216 Ų | 216 | 121.7 Ų | 121.7 | 94% | 0.939 | 66% | 0.664 | S | S | * | * | trans | -84.1 | 5.8 | 174.3 | -61.1 | -178.9 | -178.1 | 179.6 | 0 | 113.1 | G81 | G81-K83 PolarHBondContact O-N 3.46Š| ||
| 84 | K | 89.9 | Confident | 89.2 | Confident | 171 Ų | 171 | 126.7 Ų | 126.7 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -93 | 133.3 | 180 | -64 | -173.3 | 177.3 | -176.6 | 0 | 110.6 | S82 T86 | S82-K84 PolarHBondContact O-N 3.5Å; S82-K84 PolarHBondContact OG-N 2.86Å; K84-T86 PolarHBondContact O-N 3.47Å; K84-T86 PolarHBondContact O-OG1 2.99Å; K84-T86 VanDerWaalsContact O-OG1 3.11Å |
| 85 | A | 87.1 | Confident | 88.5 | Confident | 114 Ų | 114 | 129.4 Ų | 129.4 | 94% | 0.942 | 69% | 0.692 | S | S | * | * | trans | -57.9 | 122.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 86 | T | 85.9 | Confident | 88 | Confident | 80 Ų | 80 | 124.6 Ų | 124.6 | 49% | 0.491 | 69% | 0.688 | S | S | . | * | trans | -123.3 | 120.2 | -176.7 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | K84 | K84-T86 PolarHBondContact O-N 3.47Å; K84-T86 PolarHBondContact O-OG1 2.99Å; K84-T86 VanDerWaalsContact O-OG1 3.11Å | ||
| 87 | K | 89.9 | Confident | 87.6 | Confident | 164 Ų | 164 | 125.4 Ų | 125.4 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 121.8 | 176.2 | -172.4 | 173.7 | -179.7 | 179.1 | 0 | 109.3 | F89 | K87-F89 HydrophobicContact CB-CE2 4.47Å; K87-F89 HydrophobicContact CD-CE1 4.11Å; K87-F89 HydrophobicContact CD-CE2 4Å; K87-F89 HydrophobicContact CD-CZ 3.56Å; K87-F89 VanDerWaalsContact CE-CZ 3.48Å; K87-F89 HydrophobicContact CG-CE2 4.03Å; K87-F89 HydrophobicContact CG-CZ 4.04Å |
| 88 | V | 87.8 | Confident | 87.1 | Confident | 122 Ų | 122 | 130.5 Ų | 130.5 | 74% | 0.739 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 127.1 | 176 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 89 | F | 88.4 | Confident | 86.9 | Confident | 166 Ų | 166 | 130.9 Ų | 130.9 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 128.5 | 172 | -64.5 | -87.7 | 0 | 0 | 0 | 108.9 | K87 | K87-F89 HydrophobicContact CB-CE2 4.47Å; K87-F89 HydrophobicContact CD-CE1 4.11Å; K87-F89 HydrophobicContact CD-CE2 4Å; K87-F89 HydrophobicContact CD-CZ 3.56Å; K87-F89 VanDerWaalsContact CE-CZ 3.48Å; K87-F89 HydrophobicContact CG-CE2 4.03Å; K87-F89 HydrophobicContact CG-CZ 4.04Å |
| 90 | S | 87.4 | Confident | 86.7 | Confident | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | -128.3 | 147.7 | 171.6 | 59 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 91 | S | 87.9 | Confident | 86.4 | Confident | 90 Ų | 90 | 134.1 Ų | 134.1 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | trans | -60.7 | 140.7 | 164.4 | 163.7 | 0 | 0 | 0 | 0 | 109.5 | K93 | S91-K93 PolarHBondContact O-N 2.87Å; S91-K93 PolarHBondContact OG-N 3.44Å; S91-K93 PolarHBondContact OG-O 3.44Å | ||
| 92 | A | 86.1 | Confident | 86.4 | Confident | 113 Ų | 113 | 136.9 Ų | 136.9 | 93% | 0.934 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -72.3 | -18.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 93 | K | 88.6 | Confident | 86.4 | Confident | 174 Ų | 174 | 143.7 Ų | 143.7 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -94.8 | 137.3 | 178.9 | -65.5 | -175.9 | 178.8 | -178.2 | 0 | 110.9 | S91 | S91-K93 PolarHBondContact O-N 2.87Å; S91-K93 PolarHBondContact OG-N 3.44Å; S91-K93 PolarHBondContact OG-O 3.44Å |
| 94 | Y | 82.9 | Confident | 86.2 | Confident | 202 Ų | 202 | 137.5 Ų | 137.5 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | trans | -58.8 | 139.4 | 170.4 | -173.3 | -94.8 | 0 | 0 | 0 | 109.8 | A96 | Y94-A96 HydrophobicContact CD1-CB 4.27Å; Y94-A96 PolarHBondContact O-N 2.9Å | ||
| 95 | P | 82.2 | Confident | 86 | Confident | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 72% | 0.718 | S | S | * | * | trans | -70.9 | 82.3 | 175.9 | 29.1 | -33.4 | 0 | 0 | 0 | 109.8 | ||||
| 96 | A | 81.9 | Confident | 86.2 | Confident | 63 Ų | 63 | 129.2 Ų | 129.2 | 52% | 0.521 | 69% | 0.688 | S | S | . | * | trans | -100.3 | 144.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y94 | Y94-A96 HydrophobicContact CD1-CB 4.27Å; Y94-A96 PolarHBondContact O-N 2.9Å | ||
| 97 | P | 84.1 | Confident | 86.3 | Confident | 96 Ų | 96 | 128 Ų | 128 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | trans | -62.1 | 150.1 | 167 | -15.6 | 29.1 | 0 | 0 | 0 | 111 | R99 | P97-R99 PolarHBondContact O-N 2.93Š| ||
| 98 | D | 84.9 | Confident | 85.9 | Confident | 182 Ų | 182 | 124.6 Ų | 124.6 | 97% | 0.973 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -62.3 | -25.1 | 178.8 | -66.1 | -31.8 | 0 | 0 | 0 | 113.2 | ||
| 99 | R | 87.6 | Confident | 85.5 | Confident | 191 Ų | 191 | 122.4 Ų | 122.4 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -133.1 | 125.9 | 175.6 | -174.3 | 175.3 | 175.6 | -177.3 | -0.9 | 110.2 | P97 | P97-R99 PolarHBondContact O-N 2.93Š|
| 100 | L | 85.9 | Confident | 85.3 | Confident | 142 Ų | 142 | 115.5 Ų | 115.5 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 137.2 | 171.7 | -63.2 | 175.4 | 0 | 0 | 0 | 109.4 | ||
| 101 | Q | 83.7 | Confident | 84.8 | Confident | 173 Ų | 173 | 113.8 Ų | 113.8 | 81% | 0.808 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 132.3 | 176.4 | -64.8 | -67.8 | -12.4 | 0 | 0 | 108.9 | ||
| 102 | D | 87 | Confident | 84.3 | Confident | 135 Ų | 135 | 110.6 Ų | 110.6 | 72% | 0.722 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 149.5 | 173.7 | -63.6 | -35.4 | 0 | 0 | 0 | 110.2 | S104 | D102-S104 PolarHBondContact O-N 2.9Š|
| 103 | Y | 86.3 | Confident | 83.7 | Confident | 201 Ų | 201 | 106.6 Ų | 106.6 | 79% | 0.788 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 126.2 | 176 | 176.7 | -99.4 | 0 | 0 | 0 | 109.9 | ||
| 104 | S | 83.8 | Confident | 82.7 | Confident | 85 Ų | 85 | 99.7 Ų | 99.7 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | trans | -109.1 | 124.3 | 172.5 | 44.3 | 0 | 0 | 0 | 0 | 109.4 | D102 | D102-S104 PolarHBondContact O-N 2.9Š| ||
| 105 | S | 87.8 | Confident | 81.8 | Confident | 51 Ų | 51 | 94 Ų | 94 | 36% | 0.357 | 54% | 0.541 | S | S | . | . | trans | -66.6 | 147.3 | 174.1 | 175 | 0 | 0 | 0 | 0 | 110.4 | F107 T108 | S105-F107 PolarHBondContact O-N 2.99Å; S105-F107 VanDerWaalsContact O-N 3.11Å; S105-F107 PolarHBondContact OG-N 3.07Å; S105-T108 PolarHBondContact N-OG1 2.81Å; S105-T108 WeakPolarHBondContact O-CB 3.46Å; S105-T108 PolarHBondContact O-N 3.45Å; S105-T108 PolarHBondContact O-OG1 2.61Å | ||
| 106 | I | 89.4 | Confident | 81 | Confident | 61 Ų | 61 | 95.6 Ų | 95.6 | 31% | 0.313 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.8 | 172.9 | 62.3 | 174.1 | 0 | 0 | 0 | 112.9 | V51 | V51-I106 HydrophobicContact CG2-CD1 3.74Š|
| 107 | F | 88.1 | Confident | 80 | Confident | 53 Ų | 53 | 99.3 Ų | 99.3 | 23% | 0.232 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -98.3 | 8.8 | 177.8 | -55.5 | -68.1 | 0 | 0 | 0 | 113.4 | V14 Y15 I47 S105 G109 A110 | V14-F107 HydrophobicContact CB-CB 4.34Å; V14-F107 HydrophobicContact CG1-CB 4.29Å; V14-F107 HydrophobicContact CG2-CB 3.83Å; Y15-F107 AromaticContact CE2-CD1 3.65Å; Y15-F107 HydrophobicContact CE2-CD1 3.65Å; Y15-F107 AromaticContact CE2-CE1 3.9Å; Y15-F107 HydrophobicContact CE2-CE1 3.9Å; Y15-F107 HydrophobicContact CE2-CG 4.5Å; I47-F107 HydrophobicContact CB-CE1 4.33Å; I47-F107 HydrophobicContact CG1-CE1 3.91Å; I47-F107 HydrophobicContact CG1-CZ 4.47Å; I47-F107 HydrophobicContact CG2-CE1 4.15Å; I47-F107 HydrophobicContact CG2-CZ 4.12Å; S105-F107 PolarHBondContact O-N 2.99Å; S105-F107 VanDerWaalsContact O-N 3.11Å; S105-F107 PolarHBondContact OG-N 3.07Å; F107-G109 PolarHBondContact O-N 3.23Å; F107-A110 WeakPolarHBondContact O-CB 3.45Å; F107-A110 PolarHBondContact O-N 2.85Å; F107-A110 VanDerWaalsContact O-N 3.12Å |
| 108 | T | 83.2 | Confident | 79.2 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 126.4 | 175.4 | -52.7 | 0 | 0 | 0 | 0 | 109.8 | S105 A110 | S105-T108 PolarHBondContact N-OG1 2.81Å; S105-T108 WeakPolarHBondContact O-CB 3.46Å; S105-T108 PolarHBondContact O-N 3.45Å; S105-T108 PolarHBondContact O-OG1 2.61Å; T108-A110 VanDerWaalsContact C-N 3.29Å; T108-A110 PolarHBondContact O-N 3.41Å |
| 109 | G | 79.3 | Confident | 78.5 | Confident | 76 Ų | 76 | 96 Ų | 96 | 78% | 0.784 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 14 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F107 | F107-G109 PolarHBondContact O-N 3.23Š|
| 110 | A | 82.4 | Confident | 77.9 | Confident | 21 Ų | 21 | 98.7 Ų | 98.7 | 17% | 0.174 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 135.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V14 Y15 F107 T108 | V14-A110 HydrophobicContact CG1-CB 3.32Å; Y15-A110 HydrophobicContact CE1-CB 4.38Å; F107-A110 WeakPolarHBondContact O-CB 3.45Å; F107-A110 PolarHBondContact O-N 2.85Å; F107-A110 VanDerWaalsContact O-N 3.12Å; T108-A110 VanDerWaalsContact C-N 3.29Å; T108-A110 PolarHBondContact O-N 3.41Å |
| 111 | A | 77.3 | Confident | 77.5 | Confident | 73 Ų | 73 | 97.8 Ų | 97.8 | 60% | 0.603 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -103 | 127.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P113 | A111-P113 WeakPolarHBondContact O-CD 3.27Š|
| 112 | D | 78.9 | Confident | 77.3 | Confident | 24 Ų | 24 | 99.2 Ų | 99.2 | 13% | 0.128 | 54% | 0.535 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 123.5 | 176.5 | -166.3 | 34.6 | 0 | 0 | 0 | 109.2 | Y15 S16 Y39 S114 S115 | Y15-D112 WeakPolarHBondContact CA-OD1 3.43Å; S16-D112 PolarHBondContact N-OD1 3.02Å; Y39-D112 PolarHBondContact OH-OD1 3.42Å; Y39-D112 PolarHBondContact OH-OD2 3.46Å; D112-S114 PolarHBondContact O-N 3.32Å; D112-S114 WeakPolarHBondContact OD2-CB 3.29Å; D112-S114 PolarHBondContact OD2-OG 3.09Å; D112-S115 VanDerWaalsContact O-CB 3.31Å; D112-S115 WeakPolarHBondContact O-CB 3.49Å; D112-S115 PolarHBondContact O-N 3.45Å; D112-S115 PolarHBondContact O-OG 3.32Å |
| 113 | P | 73.3 | Confident | 77 | Confident | 29 Ų | 29 | 95.2 Ų | 95.2 | 19% | 0.188 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -60.8 | -17.9 | -178.8 | 11.2 | -16.3 | 0 | 0 | 0 | 112.9 | Y39 V42 I43 A111 S115 Q116 | Y39-P113 HydrophobicContact CD2-CB 4.17Å; Y39-P113 HydrophobicContact CD2-CG 4.13Å; Y39-P113 HydrophobicContact CE1-CG 4.49Å; Y39-P113 HydrophobicContact CE2-CB 3.46Å; Y39-P113 VanDerWaalsContact CE2-CB 3.46Å; Y39-P113 HydrophobicContact CE2-CG 3.39Å; Y39-P113 VanDerWaalsContact OH-CD 3.25Å; Y39-P113 WeakPolarHBondContact OH-CD 3.49Å; Y39-P113 WeakPolarHBondContact OH-CG 3.46Å; V42-P113 HydrophobicContact CG1-CG 4.25Å; I43-P113 HydrophobicContact CD1-CG 4.34Å; I43-P113 HydrophobicContact CG1-CG 3.82Å; A111-P113 WeakPolarHBondContact O-CD 3.27Å; P113-S115 PolarHBondContact O-N 3.1Å; P113-Q116 WeakPolarHBondContact O-CB 3.1Å; P113-Q116 PolarHBondContact O-N 3.35Å; P113-Q116 VanDerWaalsContact O-N 3.08Å |
| 114 | S | 67.4 | Low | 76.6 | Confident | 28 Ų | 28 | 95.2 Ų | 95.2 | 20% | 0.196 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -71.8 | -8.7 | 176.8 | 82.4 | 0 | 0 | 0 | 0 | 113.5 | R7 Y39 D112 | R7-S114 PolarHBondContact NH1-OG 3Å; R7-S114 PolarHBondContact NH2-O 3.48Å; R7-S114 PolarHBondContact NH2-OG 3.18Å; Y39-S114 VanDerWaalsContact CE2-N 3.26Å; Y39-S114 VanDerWaalsContact OH-CB 3.23Å; Y39-S114 WeakPolarHBondContact OH-CB 3.13Å; Y39-S114 PolarHBondContact OH-N 3.26Å; D112-S114 PolarHBondContact O-N 3.32Å; D112-S114 WeakPolarHBondContact OD2-CB 3.29Å; D112-S114 PolarHBondContact OD2-OG 3.09Å |
| 115 | S | 63.7 | Low | 76.1 | Confident | 84 Ų | 84 | 94 Ų | 94 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -72.5 | -18.6 | 169.2 | 63.3 | 0 | 0 | 0 | 0 | 112.2 | D112 P113 | D112-S115 VanDerWaalsContact O-CB 3.31Å; D112-S115 WeakPolarHBondContact O-CB 3.49Å; D112-S115 PolarHBondContact O-N 3.45Å; D112-S115 PolarHBondContact O-OG 3.32Å; P113-S115 PolarHBondContact O-N 3.1Å |
| 116 | Q | 64.7 | Low | 75.6 | Confident | 146 Ų | 146 | 100.5 Ų | 100.5 | 68% | 0.682 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -81.2 | 127.8 | 175.5 | -61 | -176.9 | 33 | 0 | 0 | 110 | P113 Q118 | P113-Q116 WeakPolarHBondContact O-CB 3.1Å; P113-Q116 PolarHBondContact O-N 3.35Å; P113-Q116 VanDerWaalsContact O-N 3.08Å; Q116-Q118 PolarHBondContact O-N 2.67Å; Q116-Q118 VanDerWaalsContact O-N 3.17Å |
| 117 | T | 61.6 | Low | 74.8 | Confident | 142 Ų | 142 | 104.3 Ų | 104.3 | 87% | 0.871 | 55% | 0.549 | S | S | * | . | trans | -68.3 | 114.6 | 179.9 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 118 | Q | 67.9 | Low | 74.2 | Confident | 107 Ų | 107 | 111.4 Ų | 111.4 | 50% | 0.5 | 57% | 0.574 | S | S | . | * | trans | -72.6 | 144 | 178.3 | -71.2 | -140.4 | -7.2 | 0 | 0 | 112.3 | Q116 R120 | Q116-Q118 PolarHBondContact O-N 2.67Å; Q116-Q118 VanDerWaalsContact O-N 3.17Å; Q118-R120 PolarHBondContact O-N 2.77Å | ||
| 119 | P | 69.9 | Low | 73.9 | Confident | 102 Ų | 102 | 112.6 Ų | 112.6 | 66% | 0.662 | 58% | 0.584 | S | S | * | * | trans | -65.2 | 133.5 | 177.7 | 26.5 | -33.2 | 0 | 0 | 0 | 110.9 | R121 | P119-R121 PolarHBondContact O-N 2.89Š| ||
| 120 | R | 74.9 | Confident | 73.9 | Confident | 247 Ų | 247 | 116.5 Ų | 116.5 | 93% | 0.932 | 58% | 0.579 | S | S | * | * | trans | -69.7 | 113.9 | 179.9 | -61.1 | 179.5 | 89.8 | 168.5 | 6.2 | 109.8 | Q118 | Q118-R120 PolarHBondContact O-N 2.77Š| ||
| 121 | R | 76.7 | Confident | 73.9 | Confident | 123 Ų | 123 | 119.9 Ų | 119.9 | 46% | 0.464 | 60% | 0.595 | S | S | . | * | trans | -82.7 | 130.9 | 174.5 | -63.5 | -178.2 | -179.8 | 168.4 | 4.7 | 110.3 | D35 P119 | D35-R121 IonicContact OD1-CZ 2.68Å; D35-R121 IonicContact OD1-NH1 2.87Å; D35-R121 PolarHBondContact OD1-NH1 3.17Å; D35-R121 IonicContact OD1-NH2 3.3Å; D35-R121 PolarHBondContact OD1-NH2 3.47Å; D35-R121 IonicContact OD2-CZ 3.49Å; D35-R121 VanDerWaalsContact OD2-CZ 3.32Å; D35-R121 IonicContact OD2-NH1 3.48Å; D35-R121 PolarHBondContact OD2-NH1 3.39Å; D35-R121 IonicContact OD2-NH2 3.64Å; P119-R121 PolarHBondContact O-N 2.89Å | ||
| 122 | K | 79.1 | Confident | 74.3 | Confident | 202 Ų | 202 | 122 Ų | 122 | 88% | 0.878 | 59% | 0.592 | S | S | * | * | trans | -91.2 | 114.1 | 171.5 | -70.8 | -177.7 | -178.4 | 177.3 | 0 | 108.6 | ||||
| 123 | I | 80.5 | Confident | 74.6 | Confident | 52 Ų | 52 | 128.6 Ų | 128.6 | 27% | 0.267 | 62% | 0.619 | S | S | . | * | trans | -100.5 | 112.4 | 179.6 | -63 | 163.9 | 0 | 0 | 0 | 107.9 | E27 E28 L31 N125 | E27-I123 HydrophobicContact CB-CG2 4.18Å; E28-I123 HydrophobicContact CB-CD1 4.15Å; E28-I123 HydrophobicContact CG-CD1 3.29Å; E28-I123 HydrophobicContact CG-CG1 4.5Å; E28-I123 HydrophobicContact CG-CG2 4.38Å; L31-I123 HydrophobicContact CD1-CD1 3.56Å; L31-I123 HydrophobicContact CD1-CG1 3.74Å; I123-N125 HydrophobicContact CG2-CB 4.28Å; I123-N125 PolarHBondContact O-N 3.17Å | ||
| 124 | Q | 78.3 | Confident | 75.1 | Confident | 200 Ų | 200 | 129.4 Ų | 129.4 | 94% | 0.935 | 63% | 0.629 | S | S | * | * | trans | -85.1 | 85.8 | 176 | -63.5 | -169.3 | 1.3 | 0 | 0 | 108.8 | ||||
| 125 | N | 74.1 | Confident | 75.7 | Confident | 61 Ų | 61 | 134.5 Ų | 134.5 | 33% | 0.326 | 64% | 0.644 | S | S | . | * | trans | -133.4 | 144.3 | 170 | -169.5 | 10.1 | 0 | 0 | 0 | 110.5 | R25 E27 I123 L127 | R25-N125 PolarHBondContact NH1-O 3.24Å; E27-N125 PolarHBondContact OE1-ND2 2.82Å; E27-N125 PolarHBondContact OE2-ND2 3.35Å; I123-N125 HydrophobicContact CG2-CB 4.28Å; I123-N125 PolarHBondContact O-N 3.17Å; N125-L127 PolarHBondContact O-N 2.5Å | ||
| 126 | K | 77.1 | Confident | 76.6 | Confident | 186 Ų | 186 | 135.3 Ų | 135.3 | 81% | 0.809 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.7 | 171.1 | -62.7 | -177.6 | -178.7 | -179.3 | 0 | 108.3 | R128 | K126-R128 PolarHBondContact O-N 2.58Š|
| 127 | L | 73.3 | Confident | 77.5 | Confident | 141 Ų | 141 | 134 Ų | 134 | 74% | 0.738 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 134 | 174.2 | -65.4 | 172.6 | 0 | 0 | 0 | 108.1 | N125 | N125-L127 PolarHBondContact O-N 2.5Š|
| 128 | R | 74.7 | Confident | 78.4 | Confident | 202 Ų | 202 | 130 Ų | 130 | 76% | 0.762 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 136.1 | 168.1 | -88 | -154.1 | -82.6 | -142.8 | -0.1 | 108.1 | K126 | K126-R128 PolarHBondContact O-N 2.58Š|
| 129 | P | 76.2 | Confident | 78.9 | Confident | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 144.6 | 169.6 | -22.5 | 32.8 | 0 | 0 | 0 | 110.1 | D131 | P129-D131 PolarHBondContact O-N 2.99Š|
| 130 | F | 79.3 | Confident | 79.3 | Confident | 157 Ų | 157 | 128.9 Ų | 128.9 | 69% | 0.689 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 122.9 | 175.5 | 178.5 | -102.9 | 0 | 0 | 0 | 109.4 | E132 W135 | F130-E132 HydrophobicContact CE1-CB 4.01Å; F130-E132 HydrophobicContact CE1-CG 4.44Å; F130-W135 HydrophobicContact CE2-CB 4.39Å; F130-W135 HydrophobicContact CE2-CG 4.36Å; F130-W135 HydrophobicContact CZ-CB 4.2Å; F130-W135 HydrophobicContact CZ-CD2 4.49Å; F130-W135 HydrophobicContact CZ-CG 4.19Å |
| 131 | D | 83.5 | Confident | 79.4 | Confident | 93 Ų | 93 | 124.9 Ų | 124.9 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | trans | -105.9 | 107.4 | 175.4 | -176.2 | 1 | 0 | 0 | 0 | 109.4 | P129 K133 A134 W135 | P129-D131 PolarHBondContact O-N 2.99Å; D131-K133 VanDerWaalsContact C-N 3.31Å; D131-K133 PolarHBondContact O-N 3.32Å; D131-K133 PolarHBondContact OD1-N 3.19Å; D131-K133 VanDerWaalsContact OD1-N 3.1Å; D131-A134 HydrophobicContact CB-CB 4.08Å; D131-W135 PolarHBondContact O-N 3.4Å | ||
| 132 | E | 85.4 | Confident | 79.2 | Confident | 116 Ų | 116 | 124 Ų | 124 | 54% | 0.542 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.8 | -32.6 | -177.8 | -172.7 | 171 | -171.6 | 0 | 0 | 112.3 | F130 W135 Q136 | F130-E132 HydrophobicContact CE1-CB 4.01Å; F130-E132 HydrophobicContact CE1-CG 4.44Å; E132-W135 PolarHBondContact O-N 3.02Å; E132-Q136 WeakPolarHBondContact O-CG 3.43Å; E132-Q136 PolarHBondContact O-N 3.4Å |
| 133 | K | 86 | Confident | 78.6 | Confident | 163 Ų | 163 | 120 Ų | 120 | 71% | 0.709 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.6 | -46.9 | -179.1 | -67 | -177.8 | 179.3 | -178.4 | 0 | 111.2 | D131 W135 Q136 E137 | D131-K133 VanDerWaalsContact C-N 3.31Å; D131-K133 PolarHBondContact O-N 3.32Å; D131-K133 PolarHBondContact OD1-N 3.19Å; D131-K133 VanDerWaalsContact OD1-N 3.1Å; K133-W135 PolarHBondContact O-N 3.2Å; K133-Q136 PolarHBondContact O-N 3.43Å; K133-E137 PolarHBondContact O-N 3.04Å |
| 134 | A | 82.9 | Confident | 77.7 | Confident | 47 Ų | 47 | 121.8 Ų | 121.8 | 39% | 0.388 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.2 | -36.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D131 K138 | D131-A134 HydrophobicContact CB-CB 4.08Å; A134-K138 VanDerWaalsContact O-CB 3.28Å; A134-K138 WeakPolarHBondContact O-CB 3.33Å; A134-K138 PolarHBondContact O-N 3.49Å; A134-K138 VanDerWaalsContact O-N 3.07Å |
| 135 | W | 80.8 | Confident | 76.4 | Confident | 134 Ų | 134 | 118.1 Ų | 118.1 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.6 | -43.3 | 176.2 | -178.4 | 79.7 | 0 | 0 | 0 | 112.9 | F130 D131 E132 K133 K138 L139 | F130-W135 HydrophobicContact CE2-CB 4.39Å; F130-W135 HydrophobicContact CE2-CG 4.36Å; F130-W135 HydrophobicContact CZ-CB 4.2Å; F130-W135 HydrophobicContact CZ-CD2 4.49Å; F130-W135 HydrophobicContact CZ-CG 4.19Å; D131-W135 PolarHBondContact O-N 3.4Å; E132-W135 PolarHBondContact O-N 3.02Å; K133-W135 PolarHBondContact O-N 3.2Å; W135-K138 PolarHBondContact O-N 2.9Å; W135-L139 HydrophobicContact CD2-CD1 4.07Å; W135-L139 HydrophobicContact CD2-CG 4.45Å; W135-L139 HydrophobicContact CE3-CD1 3.84Å; W135-L139 HydrophobicContact CH2-CD1 3.37Å; W135-L139 HydrophobicContact CH2-CG 4.45Å; W135-L139 HydrophobicContact CZ2-CD1 3.59Å; W135-L139 HydrophobicContact CZ2-CD2 4.4Å; W135-L139 HydrophobicContact CZ2-CG 4.22Å; W135-L139 HydrophobicContact CZ3-CD1 3.48Å; W135-L139 VanDerWaalsContact CZ3-CD1 3.48Å; W135-L139 PolarHBondContact O-N 2.92Å |
| 136 | Q | 81.8 | Confident | 75.3 | Confident | 102 Ų | 102 | 119.6 Ų | 119.6 | 48% | 0.477 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.4 | -43.4 | 176.6 | -73.9 | 171.6 | -2.4 | 0 | 0 | 112.3 | E132 K133 K138 L139 T140 | E132-Q136 WeakPolarHBondContact O-CG 3.43Å; E132-Q136 PolarHBondContact O-N 3.4Å; K133-Q136 PolarHBondContact O-N 3.43Å; Q136-K138 VanDerWaalsContact C-N 3.29Å; Q136-K138 PolarHBondContact O-N 3.31Å; Q136-L139 PolarHBondContact O-N 3.36Å; Q136-T140 PolarHBondContact O-N 2.94Å; Q136-T140 PolarHBondContact O-OG1 2.7Å |
| 137 | E | 83.6 | Confident | 73.8 | Confident | 119 Ų | 119 | 115.3 Ų | 115.3 | 56% | 0.556 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57.6 | -45.3 | 173.3 | 178.9 | 177.1 | -178.4 | 0 | 0 | 110.7 | K133 L139 T140 Y141 | K133-E137 PolarHBondContact O-N 3.04Å; E137-L139 PolarHBondContact O-N 2.89Å; E137-T140 WeakPolarHBondContact O-CB 3.37Å; E137-T140 PolarHBondContact O-N 3.39Å; E137-T140 PolarHBondContact O-OG1 3.39Å; E137-Y141 HydrophobicContact CG-CD2 4.36Å; E137-Y141 HydrophobicContact CG-CE2 3.71Å; E137-Y141 WeakPolarHBondContact O-CD2 3.33Å |
| 138 | K | 79.9 | Confident | 72.6 | Confident | 57 Ų | 57 | 114.7 Ų | 114.7 | 25% | 0.248 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -65.6 | -35 | -179.7 | -162.8 | 172.6 | -174.4 | -168.2 | 0 | 113.5 | E23 A134 W135 Q136 T140 Y141 F142 | E23-K138 VanDerWaalsContact OE1-CE 3.3Å; E23-K138 WeakPolarHBondContact OE1-CE 3.41Å; E23-K138 IonicContact OE1-NZ 2.95Å; E23-K138 PolarHBondContact OE1-NZ 3.38Å; E23-K138 IonicContact OE2-NZ 3.1Å; E23-K138 PolarHBondContact OE2-NZ 2.82Å; A134-K138 VanDerWaalsContact O-CB 3.28Å; A134-K138 WeakPolarHBondContact O-CB 3.33Å; A134-K138 PolarHBondContact O-N 3.49Å; A134-K138 VanDerWaalsContact O-N 3.07Å; W135-K138 PolarHBondContact O-N 2.9Å; Q136-K138 VanDerWaalsContact C-N 3.29Å; Q136-K138 PolarHBondContact O-N 3.31Å; K138-T140 PolarHBondContact O-N 3.41Å; K138-Y141 PolarHBondContact O-N 2.9Å; K138-Y141 VanDerWaalsContact O-N 3.12Å; K138-F142 HydrophobicContact CD-CD2 4.44Å; K138-F142 HydrophobicContact CD-CE2 4.38Å; K138-F142 HydrophobicContact CG-CD2 3.48Å; K138-F142 VanDerWaalsContact CG-CD2 3.48Å; K138-F142 HydrophobicContact CG-CE2 3.69Å; K138-F142 WeakPolarHBondContact O-CD2 3.46Å; K138-F142 PolarHBondContact O-N 3.1Å |
| 139 | L | 79 | Confident | 71.4 | Confident | 73 Ų | 73 | 113.8 Ų | 113.8 | 38% | 0.382 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.2 | -24 | 171.7 | -78.5 | 175.8 | 0 | 0 | 0 | 113.2 | W135 Q136 E137 Y141 V144 | W135-L139 HydrophobicContact CD2-CD1 4.07Å; W135-L139 HydrophobicContact CD2-CG 4.45Å; W135-L139 HydrophobicContact CE3-CD1 3.84Å; W135-L139 HydrophobicContact CH2-CD1 3.37Å; W135-L139 HydrophobicContact CH2-CG 4.45Å; W135-L139 HydrophobicContact CZ2-CD1 3.59Å; W135-L139 HydrophobicContact CZ2-CD2 4.4Å; W135-L139 HydrophobicContact CZ2-CG 4.22Å; W135-L139 HydrophobicContact CZ3-CD1 3.48Å; W135-L139 VanDerWaalsContact CZ3-CD1 3.48Å; W135-L139 PolarHBondContact O-N 2.92Å; Q136-L139 PolarHBondContact O-N 3.36Å; E137-L139 PolarHBondContact O-N 2.89Å; L139-Y141 VanDerWaalsContact C-N 3.34Å; L139-V144 HydrophobicContact CD2-CG2 4.26Å |
| 140 | T | 79 | Confident | 70 | Confident | 112 Ų | 112 | 117 Ų | 117 | 69% | 0.687 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.4 | -33.1 | 176.4 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | Q136 E137 K138 | Q136-T140 PolarHBondContact O-N 2.94Å; Q136-T140 PolarHBondContact O-OG1 2.7Å; E137-T140 WeakPolarHBondContact O-CB 3.37Å; E137-T140 PolarHBondContact O-N 3.39Å; E137-T140 PolarHBondContact O-OG1 3.39Å; K138-T140 PolarHBondContact O-N 3.41Å |
| 141 | Y | 76.4 | Confident | 68.4 | Low | 164 Ų | 164 | 119 Ų | 119 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -96.8 | -26.1 | -176.4 | -60 | -68.4 | 0 | 0 | 0 | 114.2 | E137 K138 L139 P143 | E137-Y141 HydrophobicContact CG-CD2 4.36Å; E137-Y141 HydrophobicContact CG-CE2 3.71Å; E137-Y141 WeakPolarHBondContact O-CD2 3.33Å; K138-Y141 PolarHBondContact O-N 2.9Å; K138-Y141 VanDerWaalsContact O-N 3.12Å; L139-Y141 VanDerWaalsContact C-N 3.34Å; Y141-P143 WeakPolarHBondContact O-CD 3.45Å |
| 142 | F | 72.2 | Confident | 66.6 | Low | 103 Ų | 103 | 118.1 Ų | 118.1 | 45% | 0.452 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -107 | 102.1 | 176.4 | -66.7 | -84.7 | 0 | 0 | 0 | 108.4 | K138 V144 | K138-F142 HydrophobicContact CD-CD2 4.44Å; K138-F142 HydrophobicContact CD-CE2 4.38Å; K138-F142 HydrophobicContact CG-CD2 3.48Å; K138-F142 VanDerWaalsContact CG-CD2 3.48Å; K138-F142 HydrophobicContact CG-CE2 3.69Å; K138-F142 WeakPolarHBondContact O-CD2 3.46Å; K138-F142 PolarHBondContact O-N 3.1Å; F142-V144 HydrophobicContact CB-CG2 4.32Å; F142-V144 PolarHBondContact O-N 2.93Å |
| 143 | P | 65.8 | Low | 65.1 | Low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 63% | 0.625 | S | S | * | * | trans | -67 | 84.6 | 168.3 | 27.7 | -31.7 | 0 | 0 | 0 | 107.5 | Y141 C145 | Y141-P143 WeakPolarHBondContact O-CD 3.45Å; P143-C145 VanDerWaalsContact C-N 3.3Å; P143-C145 PolarHBondContact O-N 3.34Å | ||
| 144 | V | 61.5 | Low | 63.3 | Low | 89 Ų | 89 | 121.4 Ų | 121.4 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | trans | -69.9 | 100.4 | 168.1 | -172.5 | 0 | 0 | 0 | 0 | 104 | L139 F142 V146 | L139-V144 HydrophobicContact CD2-CG2 4.26Å; F142-V144 HydrophobicContact CB-CG2 4.32Å; F142-V144 PolarHBondContact O-N 2.93Å; V144-V146 HydrophobicContact CB-CG2 4.16Å; V144-V146 HydrophobicContact CG1-CG2 3.78Å; V144-V146 WeakPolarHBondContact O-CG2 3.4Å; V144-V146 PolarHBondContact O-N 3.01Å | ||
| 145 | C | 51.4 | Low | 62 | Low | 123 Ų | 123 | 127.7 Ų | 127.7 | 83% | 0.831 | 65% | 0.651 | S | S | * | * | trans | -63.2 | 76.3 | 157 | -75.6 | 0 | 0 | 0 | 0 | 106.5 | P143 S147 | P143-C145 VanDerWaalsContact C-N 3.3Å; P143-C145 PolarHBondContact O-N 3.34Å; C145-S147 PolarHBondContact O-N 3.1Å | ||
| 146 | V | 51.4 | Low | 60.6 | Low | 93 Ų | 93 | 126.2 Ų | 126.2 | 56% | 0.564 | 66% | 0.657 | S | S | * | * | trans | -63.1 | 101.8 | 159.4 | -143.1 | 0 | 0 | 0 | 0 | 101.6 | V144 N148 | V144-V146 HydrophobicContact CB-CG2 4.16Å; V144-V146 HydrophobicContact CG1-CG2 3.78Å; V144-V146 WeakPolarHBondContact O-CG2 3.4Å; V144-V146 PolarHBondContact O-N 3.01Å; V146-N148 VanDerWaalsContact CG1-OD1 3.31Å; V146-N148 WeakPolarHBondContact CG1-OD1 3.41Å; V146-N148 PolarHBondContact O-N 3.14Å | ||
| 147 | S | 45.6 | Very low | 59.5 | Low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | trans | -64.6 | 78.5 | 161.7 | 62.6 | 0 | 0 | 0 | 0 | 104.9 | C145 K149 | C145-S147 PolarHBondContact O-N 3.1Å; S147-K149 PolarHBondContact O-N 3.31Å | ||
| 148 | N | 47.5 | Very low | 58.8 | Low | 128 Ų | 128 | 130.3 Ų | 130.3 | 68% | 0.684 | 68% | 0.676 | S | S | * | * | trans | -67.5 | 66.2 | 154.5 | -68 | -13.3 | 0 | 0 | 0 | 104.1 | V146 K150 | V146-N148 VanDerWaalsContact CG1-OD1 3.31Å; V146-N148 WeakPolarHBondContact CG1-OD1 3.41Å; V146-N148 PolarHBondContact O-N 3.14Å; N148-K150 PolarHBondContact O-N 3.33Å | ||
| 149 | K | 49.6 | Very low | 58.4 | Low | 182 Ų | 182 | 128.6 Ų | 128.6 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | trans | -62.3 | 81.6 | 146.3 | -62.6 | -140.2 | 175.7 | -168 | 0 | 102.6 | S147 K151 | S147-K149 PolarHBondContact O-N 3.31Å; K149-K151 PolarHBondContact O-N 3.39Å | ||
| 150 | K | 46.5 | Very low | 58.4 | Low | 188 Ų | 188 | 129.4 Ų | 129.4 | 82% | 0.817 | 68% | 0.678 | S | S | * | * | trans | -45.8 | 106.7 | 143.2 | -73 | -177.2 | 177 | 179 | 0 | 101.3 | N148 A152 | N148-K150 PolarHBondContact O-N 3.33Å; K150-A152 PolarHBondContact O-N 3.28Å | ||
| 151 | K | 46.3 | Very low | 58.4 | Low | 197 Ų | 197 | 126.4 Ų | 126.4 | 86% | 0.857 | 67% | 0.67 | S | S | * | * | trans | -54.3 | 100.1 | 161 | -78.4 | -173.2 | 170.6 | -168.1 | 0 | 102 | K149 E153 | K149-K151 PolarHBondContact O-N 3.39Å; K151-E153 PolarHBondContact O-N 3.24Å | ||
| 152 | A | 46.7 | Very low | 58.6 | Low | 76 Ų | 76 | 123.9 Ų | 123.9 | 63% | 0.628 | 68% | 0.677 | S | S | * | * | trans | -56.1 | 109.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 101.5 | K150 D154 | K150-A152 PolarHBondContact O-N 3.28Å; A152-D154 PolarHBondContact O-N 3.22Å | ||
| 153 | E | 52.4 | Low | 59.1 | Low | 196 Ų | 196 | 123.3 Ų | 123.3 | 92% | 0.916 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 23.1 | -178.3 | -152 | 173.7 | -172 | 0 | 0 | 110.5 | K151 | K151-E153 PolarHBondContact O-N 3.24Š|
| 154 | D | 48.8 | Very low | 59.9 | Low | 152 Ų | 152 | 119.6 Ų | 119.6 | 81% | 0.813 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.7 | 7.1 | -155.2 | -120.1 | 0.3 | 0 | 0 | 0 | 113.8 | A152 | A152-D154 PolarHBondContact O-N 3.22Š|
| 155 | E | 56 | Low | 60.9 | Low | 178 Ų | 178 | 127 Ų | 127 | 83% | 0.832 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -100.3 | 98.4 | 154.1 | -75.2 | -173.1 | 175.1 | 0 | 0 | 106.1 | E157 | E155-E157 PolarHBondContact O-N 2.75Š|
| 156 | T | 50.6 | Low | 62.4 | Low | 103 Ų | 103 | 127.8 Ų | 127.8 | 63% | 0.632 | 67% | 0.668 | S | S | * | * | trans | -26.5 | 133.7 | 164 | 40.2 | 0 | 0 | 0 | 0 | 111.5 | E158 | T156-E158 PolarHBondContact O-N 3.33Å; T156-E158 PolarHBondContact OG1-OE1 3.31Å | ||
| 157 | E | 59.3 | Low | 64 | Low | 203 Ų | 203 | 126.2 Ų | 126.2 | 95% | 0.949 | 66% | 0.655 | S | S | * | * | trans | -62.3 | 70.3 | 174 | -61.8 | -176.6 | 157.5 | 0 | 0 | 110.6 | E155 | E155-E157 PolarHBondContact O-N 2.75Š| ||
| 158 | E | 68.3 | Low | 65.8 | Low | 105 Ų | 105 | 127.7 Ų | 127.7 | 49% | 0.491 | 67% | 0.666 | S | S | . | * | trans | -87.7 | 127 | 177.2 | -70.3 | -168 | -171.4 | 0 | 0 | 109.6 | T156 K184 | T156-E158 PolarHBondContact O-N 3.33Å; T156-E158 PolarHBondContact OG1-OE1 3.31Å; E158-K184 CarbonylContact C-O 3.54Å; E158-K184 VanDerWaalsContact O-O 3.11Å | ||
| 159 | G | 72.9 | Confident | 67.6 | Low | 20 Ų | 20 | 124.1 Ų | 124.1 | 21% | 0.206 | 65% | 0.651 | C | S | . | * | S | Bend | trans | 101.9 | 176.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G161 L182 | G159-G161 PolarHBondContact O-N 2.87Å; G159-L182 CarbonylContact C-O 3.58Å; G159-L182 WeakPolarHBondContact CA-O 3.44Å |
| 160 | L | 79.3 | Confident | 69.1 | Low | 90 Ų | 90 | 121 Ų | 121 | 47% | 0.471 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -75.7 | 15.7 | -177.3 | -65 | 176.2 | 0 | 0 | 0 | 114.5 | L182 Y183 Y186 | L160-L182 HydrophobicContact CD1-CB 3.78Å; L160-L182 HydrophobicContact CD1-CD1 4.47Å; L160-L182 HydrophobicContact CG-CB 4.24Å; L160-L182 PolarHBondContact N-O 3.14Å; L160-Y183 HydrophobicContact CB-CD1 3.77Å; L160-Y183 HydrophobicContact CB-CE1 3.84Å; L160-Y183 HydrophobicContact CB-CG 4.36Å; L160-Y186 HydrophobicContact CD1-CD2 4.48Å; L160-Y186 HydrophobicContact CD2-CD2 3.54Å; L160-Y186 HydrophobicContact CD2-CE2 3.73Å; L160-Y186 HydrophobicContact CD2-CG 4.48Å; L160-Y186 HydrophobicContact CG-CD2 3.87Å; L160-Y186 HydrophobicContact CG-CE2 4.36Å |
| 161 | G | 78.6 | Confident | 70.8 | Confident | 50 Ų | 50 | 115.6 Ų | 115.6 | 52% | 0.515 | 63% | 0.633 | S | S | . | * | trans | 74.9 | -145.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G159 | G159-G161 PolarHBondContact O-N 2.87Š| ||
| 162 | S | 80.5 | Confident | 72.5 | Confident | 111 Ų | 111 | 109.9 Ų | 109.9 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -66.6 | 138.1 | -172.6 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 163 | L | 83.1 | Confident | 74.4 | Confident | 91 Ų | 91 | 107 Ų | 107 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 136.3 | 178.2 | -63.3 | 164.8 | 0 | 0 | 0 | 111.7 | I167 L173 Y183 | L163-I167 HydrophobicContact CB-CD1 4.03Å; L163-I167 HydrophobicContact CD2-CD1 4.27Å; L163-L173 HydrophobicContact CD2-CD1 3.61Å; L163-L173 HydrophobicContact CD2-CD2 3.45Å; L163-L173 VanDerWaalsContact CD2-CD2 3.45Å; L163-L173 HydrophobicContact CD2-CG 4.16Å; L163-Y183 HydrophobicContact CD2-CD1 4.23Å; L163-Y183 HydrophobicContact CD2-CD2 4.28Å; L163-Y183 HydrophobicContact CD2-CG 3.89Å |
| 164 | P | 82.3 | Confident | 75.9 | Confident | 41 Ų | 41 | 101.4 Ų | 101.4 | 27% | 0.266 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 140.8 | 175.6 | 26 | -31.6 | 0 | 0 | 0 | 110.7 | N166 I167 Y183 | P164-N166 WeakPolarHBondContact CB-OD1 2.96Å; P164-N166 PolarHBondContact O-N 2.95Å; P164-N166 VanDerWaalsContact O-N 3.14Å; P164-I167 HydrophobicContact CG-CG2 3.92Å; P164-I167 WeakPolarHBondContact O-CG1 3.45Å; P164-Y183 HydrophobicContact CG-CE1 4.38Å; P164-Y183 WeakPolarHBondContact CG-OH 3.36Å |
| 165 | R | 81.8 | Confident | 77.5 | Confident | 244 Ų | 244 | 96.9 Ų | 96.9 | 92% | 0.921 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -8.7 | -169.9 | -65 | 177.1 | -179.4 | -102.8 | -1.4 | 114.7 | ||
| 166 | N | 83 | Confident | 78.4 | Confident | 139 Ų | 139 | 97.5 Ų | 97.5 | 74% | 0.743 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 14.7 | -172.4 | 62.6 | -34.5 | 0 | 0 | 0 | 113.8 | P164 | P164-N166 WeakPolarHBondContact CB-OD1 2.96Å; P164-N166 PolarHBondContact O-N 2.95Å; P164-N166 VanDerWaalsContact O-N 3.14Å |
| 167 | I | 85.3 | Confident | 79.5 | Confident | 60 Ų | 60 | 99.6 Ų | 99.6 | 31% | 0.308 | 55% | 0.551 | S | S | . | * | trans | -80.4 | 126.8 | 172.9 | 59.2 | -175.6 | 0 | 0 | 0 | 110.3 | L163 P164 L173 | L163-I167 HydrophobicContact CB-CD1 4.03Å; L163-I167 HydrophobicContact CD2-CD1 4.27Å; P164-I167 HydrophobicContact CG-CG2 3.92Å; P164-I167 WeakPolarHBondContact O-CG1 3.45Å; I167-L173 HydrophobicContact CD1-CD1 4.2Å; I167-L173 HydrophobicContact CD1-CD2 3.72Å; I167-L173 HydrophobicContact CD1-CG 4.24Å; I167-L173 HydrophobicContact CG2-CD2 4.23Å | ||
| 168 | S | 82.3 | Confident | 80.3 | Confident | 127 Ų | 127 | 91.1 Ų | 91.1 | 89% | 0.888 | 51% | 0.513 | S | S | * | . | trans | -102.4 | -12 | 174.6 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 169 | S | 85.1 | Confident | 80.9 | Confident | 53 Ų | 53 | 91.4 Ų | 91.4 | 37% | 0.371 | 52% | 0.522 | S | S | . | . | trans | -140.1 | 142.9 | -178.8 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | S171 S172 | S169-S171 PolarHBondContact O-N 3.24Å; S169-S171 PolarHBondContact OG-N 3.33Å; S169-S171 PolarHBondContact OG-OG 3.31Å; S169-S172 WeakPolarHBondContact O-CB 3.17Å; S169-S172 PolarHBondContact O-N 2.95Å | ||
| 170 | V | 81.6 | Confident | 81.2 | Confident | 116 Ų | 116 | 93.3 Ų | 93.3 | 70% | 0.703 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -65 | -27 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | S172 L173 | V170-S172 PolarHBondContact O-N 2.79Å; V170-L173 WeakPolarHBondContact O-CB 3.45Å; V170-L173 PolarHBondContact O-N 3.35Å; V170-L173 VanDerWaalsContact O-N 3.11Å |
| 171 | S | 81.9 | Confident | 81.5 | Confident | 76 Ų | 76 | 91.5 Ų | 91.5 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -63.5 | -23.8 | 176.3 | 59 | 0 | 0 | 0 | 0 | 113.5 | S169 L173 L174 | S169-S171 PolarHBondContact O-N 3.24Å; S169-S171 PolarHBondContact OG-N 3.33Å; S169-S171 PolarHBondContact OG-OG 3.31Å; S171-L173 PolarHBondContact O-N 3.42Å; S171-L174 PolarHBondContact O-N 2.79Å |
| 172 | S | 83.2 | Confident | 81.6 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -73.8 | -8.9 | 176.9 | -52.3 | 0 | 0 | 0 | 0 | 113.5 | S169 V170 | S169-S172 WeakPolarHBondContact O-CB 3.17Å; S169-S172 PolarHBondContact O-N 2.95Å; V170-S172 PolarHBondContact O-N 2.79Å |
| 173 | L | 85.4 | Confident | 81.7 | Confident | 17 Ų | 17 | 88.6 Ų | 88.6 | 9% | 0.089 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -89.6 | -12.8 | 175.9 | -58.4 | 178.1 | 0 | 0 | 0 | 113 | L163 I167 V170 S171 N181 Y183 | L163-L173 HydrophobicContact CD2-CD1 3.61Å; L163-L173 HydrophobicContact CD2-CD2 3.45Å; L163-L173 VanDerWaalsContact CD2-CD2 3.45Å; L163-L173 HydrophobicContact CD2-CG 4.16Å; I167-L173 HydrophobicContact CD1-CD1 4.2Å; I167-L173 HydrophobicContact CD1-CD2 3.72Å; I167-L173 HydrophobicContact CD1-CG 4.24Å; I167-L173 HydrophobicContact CG2-CD2 4.23Å; V170-L173 WeakPolarHBondContact O-CB 3.45Å; V170-L173 PolarHBondContact O-N 3.35Å; V170-L173 VanDerWaalsContact O-N 3.11Å; S171-L173 PolarHBondContact O-N 3.42Å; L173-N181 PolarHBondContact O-OD1 2.92Å; L173-Y183 HydrophobicContact CB-CD2 4.47Å; L173-Y183 HydrophobicContact CD2-CD2 3.74Å; L173-Y183 HydrophobicContact CD2-CE2 3.83Å |
| 174 | L | 84.9 | Confident | 81.5 | Confident | 78 Ų | 78 | 92.4 Ų | 92.4 | 41% | 0.408 | 49% | 0.488 | S | S | . | . | B | Isolated β-bridge | trans | -85.2 | 137.3 | 179.2 | -59.5 | 172.5 | 0 | 0 | 0 | 109.5 | S171 E180 N181 | S171-L174 PolarHBondContact O-N 2.79Å; L174-E180 CarbonylContact C-O 3.57Å; L174-E180 VanDerWaalsContact CA-O 3.31Å; L174-E180 WeakPolarHBondContact CA-O 3.39Å; L174-N181 HydrophobicContact CD2-CB 4.35Å |
| 175 | L | 81.8 | Confident | 81.2 | Confident | 57 Ų | 57 | 96.1 Ų | 96.1 | 30% | 0.298 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 136.5 | 171.2 | 171 | 68.1 | 0 | 0 | 0 | 109.2 | N177 T178 E180 L182 L189 | L175-N177 PolarHBondContact O-N 2.84Å; L175-T178 VanDerWaalsContact CB-OG1 3.26Å; L175-T178 WeakPolarHBondContact CB-OG1 3.48Å; L175-T178 HydrophobicContact CD2-CG2 4.14Å; L175-T178 HydrophobicContact CG-CG2 4.2Å; L175-T178 PolarHBondContact O-N 3.47Å; L175-T178 PolarHBondContact O-OG1 3.42Å; L175-E180 PolarHBondContact N-O 2.94Å; L175-L182 HydrophobicContact CB-CD1 4.18Å; L175-L182 HydrophobicContact CB-CG 4.19Å; L175-L182 HydrophobicContact CD1-CD1 4.14Å; L175-L189 HydrophobicContact CD2-CB 4.28Å; L175-L189 HydrophobicContact CD2-CD1 4.05Å |
| 176 | F | 75.3 | Confident | 80.8 | Confident | 191 Ų | 191 | 89.6 Ų | 89.6 | 84% | 0.838 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 128.6 | -172.5 | -180 | -99.8 | 0 | 0 | 0 | 112.5 | T178 | F176-T178 PolarHBondContact O-N 3.31Š|
| 177 | N | 73.6 | Confident | 80.1 | Confident | 147 Ų | 147 | 85.3 Ų | 85.3 | 79% | 0.786 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 23.9 | -177 | -155.6 | 26.4 | 0 | 0 | 0 | 114.7 | L175 | L175-N177 PolarHBondContact O-N 2.84Š|
| 178 | T | 76.8 | Confident | 79.1 | Confident | 24 Ų | 24 | 91 Ų | 91 | 15% | 0.147 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -132.9 | 166.5 | 173.7 | 75.6 | 0 | 0 | 0 | 0 | 110.7 | L175 F176 E180 | L175-T178 VanDerWaalsContact CB-OG1 3.26Å; L175-T178 WeakPolarHBondContact CB-OG1 3.48Å; L175-T178 HydrophobicContact CD2-CG2 4.14Å; L175-T178 HydrophobicContact CG-CG2 4.2Å; L175-T178 PolarHBondContact O-N 3.47Å; L175-T178 PolarHBondContact O-OG1 3.42Å; F176-T178 PolarHBondContact O-N 3.31Å; T178-E180 PolarHBondContact OG1-N 3.39Å |
| 179 | T | 79.9 | Confident | 78.3 | Confident | 111 Ų | 111 | 87.9 Ų | 87.9 | 68% | 0.681 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -96.8 | 10.4 | 172.5 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 180 | E | 80.5 | Confident | 77.5 | Confident | 61 Ų | 61 | 89.8 Ų | 89.8 | 29% | 0.285 | 46% | 0.457 | S | S | . | . | trans | -92.8 | 137 | -173.3 | -62.4 | -162.5 | -174.5 | 0 | 0 | 112.6 | L174 L175 T178 L189 | L174-E180 CarbonylContact C-O 3.57Å; L174-E180 VanDerWaalsContact CA-O 3.31Å; L174-E180 WeakPolarHBondContact CA-O 3.39Å; L175-E180 PolarHBondContact N-O 2.94Å; T178-E180 PolarHBondContact OG1-N 3.39Å; E180-L189 HydrophobicContact CG-CD1 4.42Å; E180-L189 WeakPolarHBondContact OE2-CD1 3.41Å | ||
| 181 | N | 84.6 | Confident | 76.4 | Confident | 52 Ų | 52 | 90.1 Ų | 90.1 | 28% | 0.278 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -105.6 | 107.3 | 177.3 | -177.7 | -17.1 | 0 | 0 | 0 | 110.6 | L173 L174 Y183 K184 K185 | L173-N181 PolarHBondContact O-OD1 2.92Å; L174-N181 HydrophobicContact CD2-CB 4.35Å; N181-Y183 PolarHBondContact O-N 3.38Å; N181-Y183 WeakPolarHBondContact OD1-CA 3.5Å; N181-Y183 VanDerWaalsContact OD1-CB 3.32Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.47Å; N181-Y183 PolarHBondContact OD1-N 2.97Å; N181-K184 HydrophobicContact CB-CB 4.5Å; N181-K184 PolarHBondContact O-N 3.19Å; N181-K184 VanDerWaalsContact O-N 3.1Å; N181-K185 PolarHBondContact O-N 2.88Å |
| 182 | L | 81.3 | Confident | 75.5 | Confident | 30 Ų | 30 | 94.2 Ų | 94.2 | 16% | 0.157 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16 | -178.3 | -61.1 | 179.7 | 0 | 0 | 0 | 113.9 | G159 L160 L175 K184 K185 | G159-L182 CarbonylContact C-O 3.58Å; G159-L182 WeakPolarHBondContact CA-O 3.44Å; L160-L182 HydrophobicContact CD1-CB 3.78Å; L160-L182 HydrophobicContact CD1-CD1 4.47Å; L160-L182 HydrophobicContact CG-CB 4.24Å; L160-L182 PolarHBondContact N-O 3.14Å; L175-L182 HydrophobicContact CB-CD1 4.18Å; L175-L182 HydrophobicContact CB-CG 4.19Å; L175-L182 HydrophobicContact CD1-CD1 4.14Å; L182-K184 VanDerWaalsContact C-N 3.33Å; L182-K185 WeakPolarHBondContact CA-O 3.43Å |
| 183 | Y | 81.3 | Confident | 74.4 | Confident | 69 Ų | 69 | 94 Ų | 94 | 27% | 0.271 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -13.8 | 174.5 | -67.3 | -86.5 | 0 | 0 | 0 | 113.2 | L160 L163 P164 L173 N181 | L160-Y183 HydrophobicContact CB-CD1 3.77Å; L160-Y183 HydrophobicContact CB-CE1 3.84Å; L160-Y183 HydrophobicContact CB-CG 4.36Å; L163-Y183 HydrophobicContact CD2-CD1 4.23Å; L163-Y183 HydrophobicContact CD2-CD2 4.28Å; L163-Y183 HydrophobicContact CD2-CG 3.89Å; P164-Y183 HydrophobicContact CG-CE1 4.38Å; P164-Y183 WeakPolarHBondContact CG-OH 3.36Å; L173-Y183 HydrophobicContact CB-CD2 4.47Å; L173-Y183 HydrophobicContact CD2-CD2 3.74Å; L173-Y183 HydrophobicContact CD2-CE2 3.83Å; N181-Y183 PolarHBondContact O-N 3.38Å; N181-Y183 WeakPolarHBondContact OD1-CA 3.5Å; N181-Y183 VanDerWaalsContact OD1-CB 3.32Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.47Å; N181-Y183 PolarHBondContact OD1-N 2.97Å |
| 184 | K | 79.3 | Confident | 73 | Confident | 171 Ų | 171 | 96 Ų | 96 | 74% | 0.743 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -40.3 | 174.6 | -174 | 179.4 | 178.8 | -175 | 0 | 112.1 | E158 N181 L182 | E158-K184 CarbonylContact C-O 3.54Å; E158-K184 VanDerWaalsContact O-O 3.11Å; N181-K184 HydrophobicContact CB-CB 4.5Å; N181-K184 PolarHBondContact O-N 3.19Å; N181-K184 VanDerWaalsContact O-N 3.1Å; L182-K184 VanDerWaalsContact C-N 3.33Å |
| 185 | K | 76.1 | Confident | 71.5 | Confident | 119 Ų | 119 | 94.7 Ų | 94.7 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | trans | -148.5 | 124 | 176.2 | -173 | 172.2 | -173.9 | 169 | 0 | 109 | N181 L182 V187 | N181-K185 PolarHBondContact O-N 2.88Å; L182-K185 WeakPolarHBondContact CA-O 3.43Å; K185-V187 HydrophobicContact CD-CG2 4.38Å; K185-V187 HydrophobicContact CG-CG2 4.09Å; K185-V187 PolarHBondContact O-N 3.35Å | ||
| 186 | Y | 74.5 | Confident | 70 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 42% | 0.42 | 53% | 0.528 | S | S | . | . | trans | -86.1 | 109.2 | 179.3 | -174 | -101.5 | 0 | 0 | 0 | 109.6 | L160 F188 | L160-Y186 HydrophobicContact CD1-CD2 4.48Å; L160-Y186 HydrophobicContact CD2-CD2 3.54Å; L160-Y186 HydrophobicContact CD2-CE2 3.73Å; L160-Y186 HydrophobicContact CD2-CG 4.48Å; L160-Y186 HydrophobicContact CG-CD2 3.87Å; L160-Y186 HydrophobicContact CG-CE2 4.36Å; Y186-F188 HydrophobicContact CD1-CD2 4.37Å; Y186-F188 HydrophobicContact CD1-CE2 4.49Å; Y186-F188 AromaticContact CE1-CD2 3.54Å; Y186-F188 HydrophobicContact CE1-CD2 3.54Å; Y186-F188 AromaticContact CE1-CE2 3.42Å; Y186-F188 HydrophobicContact CE1-CE2 3.42Å; Y186-F188 VanDerWaalsContact CE1-CE2 3.42Å; Y186-F188 HydrophobicContact CE1-CG 4.23Å; Y186-F188 AromaticContact CE1-CZ 3.98Å; Y186-F188 HydrophobicContact CE1-CZ 3.98Å; Y186-F188 VanDerWaalsContact OH-CZ 3.32Å; Y186-F188 WeakPolarHBondContact OH-CZ 3.42Å | ||
| 187 | V | 68.3 | Low | 68.9 | Low | 50 Ų | 50 | 92.6 Ų | 92.6 | 30% | 0.303 | 51% | 0.509 | S | S | . | . | trans | -114.3 | 123.8 | 176.5 | -173.7 | 0 | 0 | 0 | 0 | 108 | K185 L189 | K185-V187 HydrophobicContact CD-CG2 4.38Å; K185-V187 HydrophobicContact CG-CG2 4.09Å; K185-V187 PolarHBondContact O-N 3.35Å; V187-L189 HydrophobicContact CB-CG 4.37Å; V187-L189 HydrophobicContact CG1-CD2 3.98Å; V187-L189 HydrophobicContact CG1-CG 3.89Å; V187-L189 PolarHBondContact O-N 3.28Å | ||
| 188 | F | 64.5 | Low | 67.8 | Low | 179 Ų | 179 | 94.9 Ų | 94.9 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | trans | -73 | 96.3 | 170.4 | -96.3 | -76.6 | 0 | 0 | 0 | 108.7 | Y186 | Y186-F188 HydrophobicContact CD1-CD2 4.37Å; Y186-F188 HydrophobicContact CD1-CE2 4.49Å; Y186-F188 AromaticContact CE1-CD2 3.54Å; Y186-F188 HydrophobicContact CE1-CD2 3.54Å; Y186-F188 AromaticContact CE1-CE2 3.42Å; Y186-F188 HydrophobicContact CE1-CE2 3.42Å; Y186-F188 VanDerWaalsContact CE1-CE2 3.42Å; Y186-F188 HydrophobicContact CE1-CG 4.23Å; Y186-F188 AromaticContact CE1-CZ 3.98Å; Y186-F188 HydrophobicContact CE1-CZ 3.98Å; Y186-F188 VanDerWaalsContact OH-CZ 3.32Å; Y186-F188 WeakPolarHBondContact OH-CZ 3.42Å | ||
| 189 | L | 64.2 | Low | 66.4 | Low | 61 Ų | 61 | 99.6 Ų | 99.6 | 32% | 0.319 | 54% | 0.541 | S | S | . | . | trans | -101.2 | 131.8 | 172.5 | -69 | 173.8 | 0 | 0 | 0 | 109.9 | L175 E180 V187 P191 | L175-L189 HydrophobicContact CD2-CB 4.28Å; L175-L189 HydrophobicContact CD2-CD1 4.05Å; E180-L189 HydrophobicContact CG-CD1 4.42Å; E180-L189 WeakPolarHBondContact OE2-CD1 3.41Å; V187-L189 HydrophobicContact CB-CG 4.37Å; V187-L189 HydrophobicContact CG1-CD2 3.98Å; V187-L189 HydrophobicContact CG1-CG 3.89Å; V187-L189 PolarHBondContact O-N 3.28Å; L189-P191 WeakPolarHBondContact O-CD 3.32Å | ||
| 190 | D | 68.1 | Low | 64.9 | Low | 94 Ų | 94 | 103.2 Ų | 103.2 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | trans | -78.9 | 112.8 | 171.2 | 179.6 | -1 | 0 | 0 | 0 | 109.5 | L192 A193 | D190-L192 PolarHBondContact O-N 3.33Å; D190-L192 VanDerWaalsContact O-N 3.14Å; D190-L192 PolarHBondContact OD1-N 2.93Å; D190-A193 HydrophobicContact CB-CB 3.81Å; D190-A193 PolarHBondContact O-N 3.17Å | ||
| 191 | P | 58.4 | Low | 63.4 | Low | 122 Ų | 122 | 108 Ų | 108 | 79% | 0.792 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -11.7 | -176.1 | 28 | -34.6 | 0 | 0 | 0 | 113.8 | L189 | L189-P191 WeakPolarHBondContact O-CD 3.32Š|
| 192 | L | 63.2 | Low | 61.4 | Low | 162 Ų | 162 | 112.4 Ų | 112.4 | 85% | 0.848 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -14.2 | 179.2 | -65.1 | 167.3 | 0 | 0 | 0 | 113 | D190 G194 | D190-L192 PolarHBondContact O-N 3.33Å; D190-L192 VanDerWaalsContact O-N 3.14Å; D190-L192 PolarHBondContact OD1-N 2.93Å; L192-G194 PolarHBondContact O-N 2.9Å; L192-G194 VanDerWaalsContact O-N 3.1Å |
| 193 | A | 61.2 | Low | 59.7 | Low | 72 Ų | 72 | 118.2 Ų | 118.2 | 60% | 0.595 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -77 | 10.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D190 | D190-A193 HydrophobicContact CB-CB 3.81Å; D190-A193 PolarHBondContact O-N 3.17Å |
| 194 | G | 56 | Low | 58 | Low | 59 Ų | 59 | 123 Ų | 123 | 61% | 0.608 | 66% | 0.656 | S | S | * | * | trans | 68.5 | 50.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L192 V196 | L192-G194 PolarHBondContact O-N 2.9Å; L192-G194 VanDerWaalsContact O-N 3.1Å; G194-V196 PolarHBondContact O-N 3.49Å | ||
| 195 | A | 52.4 | Low | 56.4 | Low | 50 Ų | 50 | 121.3 Ų | 121.3 | 41% | 0.413 | 66% | 0.661 | S | S | . | * | trans | -70.3 | 67.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111 | T197 | A195-T197 PolarHBondContact O-N 3.39Å; A195-T197 VanDerWaalsContact O-N 3.12Å | ||
| 196 | V | 51.1 | Low | 54.9 | Low | 131 Ų | 131 | 123.9 Ų | 123.9 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | trans | -68.8 | 97.2 | 147.6 | -177 | 0 | 0 | 0 | 0 | 104 | G194 K198 | G194-V196 PolarHBondContact O-N 3.49Å; V196-K198 VanDerWaalsContact C-N 3.34Å; V196-K198 PolarHBondContact O-N 3.25Å | ||
| 197 | T | 51.2 | Low | 53.5 | Low | 73 Ų | 73 | 128 Ų | 128 | 45% | 0.448 | 70% | 0.695 | S | S | . | * | trans | -56.1 | 100.6 | 176.6 | 51 | 0 | 0 | 0 | 0 | 108.1 | A195 T199 | A195-T197 PolarHBondContact O-N 3.39Å; A195-T197 VanDerWaalsContact O-N 3.12Å; T197-T199 PolarHBondContact O-N 2.88Å; T197-T199 VanDerWaalsContact O-N 3.09Å | ||
| 198 | K | 50.1 | Low | 52.7 | Low | 195 Ų | 195 | 135.3 Ų | 135.3 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | trans | -54.8 | 116.6 | 160.1 | -72.9 | -177.9 | 177.2 | 177.7 | 0 | 105.9 | V196 H200 | V196-K198 VanDerWaalsContact C-N 3.34Å; V196-K198 PolarHBondContact O-N 3.25Å; K198-H200 PolarHBondContact O-N 2.79Å | ||
| 199 | T | 48.1 | Very low | 52.3 | Low | 124 Ų | 124 | 133.4 Ų | 133.4 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -44.2 | 126.9 | 162.4 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | T197 | T197-T199 PolarHBondContact O-N 2.88Å; T197-T199 VanDerWaalsContact O-N 3.09Å |
| 200 | H | 48.2 | Very low | 52 | Low | 186 Ų | 186 | 139.5 Ų | 139.5 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 61.2 | 88 | 168.6 | -71.6 | -91.7 | 0 | 0 | 0 | 118 | K198 | K198-H200 PolarHBondContact O-N 2.79Š|
| 201 | Q | 49.7 | Very low | 51.9 | Low | 162 Ų | 162 | 141 Ų | 141 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | trans | -167.9 | 70.9 | 144.3 | -151.9 | 168.2 | 44.6 | 0 | 0 | 113.6 | ||||
| 202 | T | 42.6 | Very low | 52.2 | Low | 145 Ų | 145 | 143.3 Ų | 143.3 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | trans | -161.9 | 65.3 | 164.2 | 6.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 203 | L | 45.4 | Very low | 52.5 | Low | 152 Ų | 152 | 142.9 Ų | 142.9 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | -141.3 | 60.1 | 155.2 | -85.5 | 173.2 | 0 | 0 | 0 | 107.2 | ||||
| 204 | E | 46 | Very low | 52.8 | Low | 168 Ų | 168 | 141.4 Ų | 141.4 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -123.3 | 43.3 | 170.6 | -73 | -169.1 | 173.5 | 0 | 0 | 110 | ||||
| 205 | T | 44.7 | Very low | 53.2 | Low | 137 Ų | 137 | 142.5 Ų | 142.5 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | -150.5 | 56.5 | 163.9 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 206 | E | 44.4 | Very low | 53.6 | Low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -121.5 | 129.7 | 155.9 | -69.8 | -171.5 | 174.6 | 0 | 0 | 106.6 | ||
| 207 | K | 44.9 | Very low | 54 | Low | 194 Ų | 194 | 144.5 Ų | 144.5 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -44.6 | 145.7 | -178.9 | -91.3 | 169.3 | 166.2 | 174 | 0 | 110.9 | E209 | K207-E209 PolarHBondContact O-N 3.05Š| ||
| 208 | E | 52.3 | Low | 54.8 | Low | 204 Ų | 204 | 146.4 Ų | 146.4 | 95% | 0.953 | 75% | 0.75 | S | S | * | * | trans | -48.2 | 76.8 | 160.5 | -165.5 | 179.6 | -162.4 | 0 | 0 | 111.4 | ||||
| 209 | E | 55.3 | Low | 55.9 | Low | 138 Ų | 138 | 141 Ų | 141 | 65% | 0.645 | 73% | 0.733 | S | S | * | * | trans | -99.8 | 120.1 | 159.4 | -76.5 | -165.9 | 164.1 | 0 | 0 | 106.8 | K207 F212 | K207-E209 PolarHBondContact O-N 3.05Å; E209-F212 WeakPolarHBondContact OE2-CE2 3.26Å | ||
| 210 | K | 59.6 | Low | 56.6 | Low | 189 Ų | 189 | 137.7 Ų | 137.7 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -43.2 | 136.2 | 170 | -76.5 | 171.7 | 174.4 | 173.8 | 0 | 108.7 | F212 | K210-F212 PolarHBondContact O-N 3.12Š| ||
| 211 | P | 64.6 | Low | 57.2 | Low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 123.6 | 176.5 | 22.1 | -31.6 | 0 | 0 | 0 | 108.5 | D213 | P211-D213 PolarHBondContact O-N 2.72Š|
| 212 | F | 64.4 | Low | 57.9 | Low | 169 Ų | 169 | 134.9 Ų | 134.9 | 74% | 0.741 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.6 | 175.9 | -76.4 | -90 | 0 | 0 | 0 | 109 | E209 K210 A214 | E209-F212 WeakPolarHBondContact OE2-CE2 3.26Å; K210-F212 PolarHBondContact O-N 3.12Å; F212-A214 PolarHBondContact O-N 3.35Å |
| 213 | D | 70.6 | Confident | 58.6 | Low | 154 Ų | 154 | 134.7 Ų | 134.7 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 135.2 | -178.9 | -149.3 | 4.7 | 0 | 0 | 0 | 109.5 | P211 | P211-D213 PolarHBondContact O-N 2.72Š|
| 214 | A | 67.6 | Low | 59.1 | Low | 40 Ų | 40 | 133 Ų | 133 | 33% | 0.331 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 139.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | F212 L216 I218 T219 | F212-A214 PolarHBondContact O-N 3.35Å; A214-L216 PolarHBondContact O-N 2.94Å; A214-I218 HydrophobicContact CB-CB 4.32Å; A214-I218 HydrophobicContact CB-CG2 4.28Å; A214-T219 HydrophobicContact CB-CG2 3.9Å |
| 215 | P | 63.8 | Low | 59.6 | Low | 82 Ų | 82 | 131 Ų | 131 | 53% | 0.532 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 144.9 | 178.6 | 22.4 | -32.9 | 0 | 0 | 0 | 110.3 | S217 I218 T219 | P215-S217 PolarHBondContact O-N 3.46Å; P215-I218 HydrophobicContact CG-CD1 3.89Å; P215-I218 HydrophobicContact CG-CG1 4.14Å; P215-I218 PolarHBondContact O-N 2.88Å; P215-T219 PolarHBondContact O-N 3.29Å |
| 216 | L | 60.8 | Low | 60.1 | Low | 139 Ų | 139 | 134.2 Ų | 134.2 | 73% | 0.728 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -51.5 | -27 | -174.6 | -67.5 | 170.2 | 0 | 0 | 0 | 113.5 | A214 I218 T219 T220 | A214-L216 PolarHBondContact O-N 2.94Å; L216-I218 VanDerWaalsContact C-N 3.28Å; L216-I218 PolarHBondContact O-N 3.39Å; L216-T219 WeakPolarHBondContact CA-OG1 3.31Å; L216-T219 PolarHBondContact O-OG1 3.35Å; L216-T220 WeakPolarHBondContact O-CB 3.48Å; L216-T220 PolarHBondContact O-N 3.03Å; L216-T220 PolarHBondContact O-OG1 3.44Å; L216-T220 VanDerWaalsContact O-OG1 3.09Å |
| 217 | S | 60 | Low | 60.5 | Low | 84 Ų | 84 | 132.9 Ų | 132.9 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.1 | -23.6 | 175.4 | -52 | 0 | 0 | 0 | 0 | 114.5 | P215 | P215-S217 PolarHBondContact O-N 3.46Å |
| 218 | I | 68.4 | Low | 60.8 | Low | 113 Ų | 113 | 128.4 Ų | 128.4 | 58% | 0.579 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -92.5 | -44.6 | 176.7 | -64.5 | 179.7 | 0 | 0 | 0 | 110.4 | A214 P215 L216 T220 | A214-I218 HydrophobicContact CB-CB 4.32Å; A214-I218 HydrophobicContact CB-CG2 4.28Å; P215-I218 HydrophobicContact CG-CD1 3.89Å; P215-I218 HydrophobicContact CG-CG1 4.14Å; P215-I218 PolarHBondContact O-N 2.88Å; L216-I218 VanDerWaalsContact C-N 3.28Å; L216-I218 PolarHBondContact O-N 3.39Å; I218-T220 VanDerWaalsContact C-N 3.31Å; I218-T220 PolarHBondContact O-N 3.11Å |
| 219 | T | 71.6 | Confident | 60.9 | Low | 81 Ų | 81 | 123.5 Ų | 123.5 | 50% | 0.497 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.8 | -32.9 | 179.7 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | A214 P215 L216 | A214-T219 HydrophobicContact CB-CG2 3.9Å; P215-T219 PolarHBondContact O-N 3.29Å; L216-T219 WeakPolarHBondContact CA-OG1 3.31Å; L216-T219 PolarHBondContact O-OG1 3.35Å |
| 220 | T | 64.1 | Low | 61.1 | Low | 55 Ų | 55 | 122 Ų | 122 | 34% | 0.337 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.8 | 14.9 | -175.4 | -41.1 | 0 | 0 | 0 | 0 | 111.7 | L216 I218 E222 Q223 M224 | L216-T220 WeakPolarHBondContact O-CB 3.48Å; L216-T220 PolarHBondContact O-N 3.03Å; L216-T220 PolarHBondContact O-OG1 3.44Å; L216-T220 VanDerWaalsContact O-OG1 3.09Å; I218-T220 VanDerWaalsContact C-N 3.31Å; I218-T220 PolarHBondContact O-N 3.11Å; T220-E222 VanDerWaalsContact C-N 3.31Å; T220-E222 PolarHBondContact O-N 3.46Å; T220-Q223 HydrophobicContact CG2-CB 3.77Å; T220-Q223 PolarHBondContact O-N 2.97Å; T220-Q223 VanDerWaalsContact O-N 3.11Å; T220-M224 PolarHBondContact O-N 3.06Å; T220-M224 VanDerWaalsContact O-N 3.16Å |
| 221 | R | 61.2 | Low | 61.2 | Low | 146 Ų | 146 | 117.2 Ų | 117.2 | 55% | 0.551 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -55.8 | -44.6 | -179.2 | -174.8 | -179.6 | 175.9 | 118 | 8.1 | 112 | Q223 M224 E225 | R221-Q223 PolarHBondContact O-N 3.37Å; R221-M224 PolarHBondContact O-N 3.05Å; R221-E225 IonicContact CZ-OE1 3.25Å; R221-E225 IonicContact NE-OE1 3.17Å; R221-E225 IonicContact NE-OE2 2.67Å; R221-E225 PolarHBondContact NE-OE2 3.37Å; R221-E225 IonicContact NH2-OE1 2.79Å; R221-E225 PolarHBondContact NH2-OE1 3.02Å; R221-E225 VanDerWaalsContact O-CB 3.28Å; R221-E225 WeakPolarHBondContact O-CB 3.32Å; R221-E225 PolarHBondContact O-N 2.82Å |
| 222 | E | 62.7 | Low | 61.1 | Low | 143 Ų | 143 | 121 Ų | 121 | 67% | 0.668 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.7 | -26 | -178.4 | -166.8 | 179.7 | 178.7 | 0 | 0 | 112.8 | T220 | T220-E222 VanDerWaalsContact C-N 3.31Å; T220-E222 PolarHBondContact O-N 3.46Å |
| 223 | Q | 58.8 | Low | 60.9 | Low | 142 Ų | 142 | 121.2 Ų | 121.2 | 66% | 0.664 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -85.3 | -32.1 | 179.7 | -151.4 | 171.7 | 15.3 | 0 | 0 | 112.2 | T220 R221 | T220-Q223 HydrophobicContact CG2-CB 3.77Å; T220-Q223 PolarHBondContact O-N 2.97Å; T220-Q223 VanDerWaalsContact O-N 3.11Å; R221-Q223 PolarHBondContact O-N 3.37Å |
| 224 | M | 54.6 | Low | 60.6 | Low | 116 Ų | 116 | 123.5 Ų | 123.5 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.7 | -33.2 | 176 | -169.5 | 169.5 | 55.1 | 0 | 0 | 112.2 | T220 R221 R226 Q227 | T220-M224 PolarHBondContact O-N 3.06Å; T220-M224 VanDerWaalsContact O-N 3.16Å; R221-M224 PolarHBondContact O-N 3.05Å; M224-R226 PolarHBondContact O-N 3.11Å; M224-Q227 CarbonylContact O-C 3.56Å; M224-Q227 PolarHBondContact O-N 2.88Å; M224-Q227 VanDerWaalsContact O-N 3.14Å |
| 225 | E | 57.2 | Low | 60.7 | Low | 127 Ų | 127 | 126.6 Ų | 126.6 | 59% | 0.593 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -15.9 | 179.3 | -155.9 | 158.6 | -141.3 | 0 | 0 | 112.4 | R221 | R221-E225 IonicContact CZ-OE1 3.25Å; R221-E225 IonicContact NE-OE1 3.17Å; R221-E225 IonicContact NE-OE2 2.67Å; R221-E225 PolarHBondContact NE-OE2 3.37Å; R221-E225 IonicContact NH2-OE1 2.79Å; R221-E225 PolarHBondContact NH2-OE1 3.02Å; R221-E225 VanDerWaalsContact O-CB 3.28Å; R221-E225 WeakPolarHBondContact O-CB 3.32Å; R221-E225 PolarHBondContact O-N 2.82Å |
| 226 | R | 54.4 | Low | 60.8 | Low | 204 Ų | 204 | 126.4 Ų | 126.4 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -16.9 | 172.5 | -76.7 | -174.7 | -177.3 | -141.6 | 3.5 | 114.4 | M224 | M224-R226 PolarHBondContact O-N 3.11Š|
| 227 | Q | 54.2 | Low | 61 | Low | 144 Ų | 144 | 127.4 Ų | 127.4 | 67% | 0.673 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -113.8 | 116.1 | 176.5 | -68.3 | -176.5 | -14.6 | 0 | 0 | 106.9 | M224 | M224-Q227 CarbonylContact O-C 3.56Å; M224-Q227 PolarHBondContact O-N 2.88Å; M224-Q227 VanDerWaalsContact O-N 3.14Å |
| 228 | T | 50 | Low | 61.2 | Low | 99 Ų | 99 | 130.8 Ų | 130.8 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | trans | 73.3 | 66.3 | 169.2 | 71.9 | 0 | 0 | 0 | 0 | 116.2 | E230 | T228-E230 HydrophobicContact CG2-CG 3.85Å; T228-E230 WeakPolarHBondContact CG2-OE1 3.38Å; T228-E230 PolarHBondContact O-N 3.39Å | ||
| 229 | A | 54.4 | Low | 61.4 | Low | 102 Ų | 102 | 128 Ų | 128 | 84% | 0.843 | 65% | 0.649 | S | S | * | * | -61.2 | 67.8 | 126 | 0 | 0 | 0 | 0 | 0 | 108.3 | S231 | A229-S231 PolarHBondContact O-N 3.2Š| |||
| 230 | E | 59.7 | Low | 61 | Low | 106 Ų | 106 | 134 Ų | 134 | 50% | 0.495 | 67% | 0.671 | S | S | . | * | trans | -68.4 | 92.4 | 167.9 | -96 | 169.4 | -151.2 | 0 | 0 | 105.9 | T228 Y232 | T228-E230 HydrophobicContact CG2-CG 3.85Å; T228-E230 WeakPolarHBondContact CG2-OE1 3.38Å; T228-E230 PolarHBondContact O-N 3.39Å; E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 HydrophobicContact CB-CE2 4.24Å; E230-Y232 VanDerWaalsContact O-CD2 3.23Å; E230-Y232 WeakPolarHBondContact O-CD2 3.45Å; E230-Y232 PolarHBondContact O-N 3.12Å; E230-Y232 PolarHBondContact OE2-OH 3.27Å | ||
| 231 | S | 61.3 | Low | 61.1 | Low | 89 Ų | 89 | 136.2 Ų | 136.2 | 62% | 0.622 | 69% | 0.685 | S | S | * | * | trans | -59.6 | 98.4 | 166.8 | 172.2 | 0 | 0 | 0 | 0 | 108.1 | A229 F233 | A229-S231 PolarHBondContact O-N 3.2Å; S231-F233 PolarHBondContact O-N 2.87Å; S231-F233 VanDerWaalsContact O-N 3.09Å | ||
| 232 | Y | 63 | Low | 61.3 | Low | 206 Ų | 206 | 134.3 Ų | 134.3 | 81% | 0.808 | 69% | 0.692 | S | S | * | * | trans | -69.7 | 6.9 | 171.7 | -66.9 | -75 | 0 | 0 | 0 | 113.5 | E230 Y234 | E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 HydrophobicContact CB-CE2 4.24Å; E230-Y232 VanDerWaalsContact O-CD2 3.23Å; E230-Y232 WeakPolarHBondContact O-CD2 3.45Å; E230-Y232 PolarHBondContact O-N 3.12Å; E230-Y232 PolarHBondContact OE2-OH 3.27Å; Y232-Y234 PolarHBondContact O-N 3.4Å | ||
| 233 | F | 60.3 | Low | 61.5 | Low | 174 Ų | 174 | 136.9 Ų | 136.9 | 76% | 0.763 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -71.2 | 119.9 | 168.3 | -105.8 | -92.8 | 0 | 0 | 0 | 109.2 | S231 V235 | S231-F233 PolarHBondContact O-N 2.87Å; S231-F233 VanDerWaalsContact O-N 3.09Å; F233-V235 VanDerWaalsContact C-N 3.34Å; F233-V235 PolarHBondContact O-N 3.31Å |
| 234 | Y | 64 | Low | 62 | Low | 201 Ų | 201 | 136.9 Ų | 136.9 | 79% | 0.788 | 71% | 0.706 | S | S | * | * | trans | -62.9 | 98.1 | 167.4 | 179.6 | -104.5 | 0 | 0 | 0 | 108.4 | Y232 P236 | Y232-Y234 PolarHBondContact O-N 3.4Å; Y234-P236 HydrophobicContact CE1-CB 3.88Å; Y234-P236 HydrophobicContact CE1-CG 4.28Å; Y234-P236 WeakPolarHBondContact O-CD 3.31Å | ||
| 235 | V | 69.4 | Low | 62.5 | Low | 106 Ų | 106 | 139.3 Ų | 139.3 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | trans | -94.6 | 106.2 | 166.9 | -177.2 | 0 | 0 | 0 | 0 | 105.3 | F233 D237 | F233-V235 VanDerWaalsContact C-N 3.34Å; F233-V235 PolarHBondContact O-N 3.31Å; V235-D237 PolarHBondContact O-N 2.97Å | ||
| 236 | P | 65.8 | Low | 63.2 | Low | 77 Ų | 77 | 136.4 Ų | 136.4 | 50% | 0.5 | 71% | 0.713 | S | S | . | * | trans | -62.5 | 114.8 | 175.4 | 24.2 | -30.4 | 0 | 0 | 0 | 108.2 | Y234 L238 | Y234-P236 HydrophobicContact CE1-CB 3.88Å; Y234-P236 HydrophobicContact CE1-CG 4.28Å; Y234-P236 WeakPolarHBondContact O-CD 3.31Å; P236-L238 PolarHBondContact O-N 2.81Å; P236-L238 VanDerWaalsContact O-N 3.09Å | ||
| 237 | D | 66.7 | Low | 63.9 | Low | 160 Ų | 160 | 130.9 Ų | 130.9 | 86% | 0.856 | 70% | 0.703 | S | S | * | * | trans | -64.2 | 110.9 | 168.6 | -105.4 | -15.8 | 0 | 0 | 0 | 107.3 | V235 G239 | V235-D237 PolarHBondContact O-N 2.97Å; D237-G239 VanDerWaalsContact C-N 3.28Å; D237-G239 PolarHBondContact O-N 2.95Å | ||
| 238 | L | 64.3 | Low | 64.4 | Low | 155 Ų | 155 | 130.1 Ų | 130.1 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | trans | -66.3 | 97.6 | 163 | -72.9 | 135.6 | 0 | 0 | 0 | 105.1 | P236 V241 | P236-L238 PolarHBondContact O-N 2.81Å; P236-L238 VanDerWaalsContact O-N 3.09Å; L238-V241 HydrophobicContact CB-CG2 4.49Å | ||
| 239 | G | 71 | Confident | 65 | Low | 56 Ų | 56 | 133 Ų | 133 | 58% | 0.577 | 72% | 0.715 | S | S | * | * | trans | -52.4 | 173.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D237 V241 | D237-G239 VanDerWaalsContact C-N 3.28Å; D237-G239 PolarHBondContact O-N 2.95Å; G239-V241 WeakPolarHBondContact O-CG2 3.15Å; G239-V241 PolarHBondContact O-N 3.44Å | ||
| 240 | Q | 63.6 | Low | 65.6 | Low | 205 Ų | 205 | 131.9 Ų | 131.9 | 96% | 0.958 | 69% | 0.694 | S | S | * | * | trans | -45.9 | 98.7 | -175.2 | -85.8 | 170.7 | -23.1 | 0 | 0 | 112.8 | P242 | Q240-P242 WeakPolarHBondContact O-CD 3.41Š| ||
| 241 | V | 65.9 | Low | 65.8 | Low | 103 Ų | 103 | 132.2 Ų | 132.2 | 62% | 0.624 | 71% | 0.706 | S | S | * | * | trans | -76.7 | 120.3 | 171.3 | 178.8 | 0 | 0 | 0 | 0 | 105.6 | L238 G239 E243 | L238-V241 HydrophobicContact CB-CG2 4.49Å; G239-V241 WeakPolarHBondContact O-CG2 3.15Å; G239-V241 PolarHBondContact O-N 3.44Å; V241-E243 PolarHBondContact O-N 3.38Å | ||
| 242 | P | 65.7 | Low | 65.9 | Low | 106 Ų | 106 | 135.2 Ų | 135.2 | 69% | 0.688 | 72% | 0.715 | S | S | * | * | trans | -56.2 | 124.6 | 174.4 | -23.2 | 33.6 | 0 | 0 | 0 | 109.6 | Q240 I244 | Q240-P242 WeakPolarHBondContact O-CD 3.41Å; P242-I244 WeakPolarHBondContact O-CG1 3.4Å; P242-I244 PolarHBondContact O-N 2.98Å; P242-I244 VanDerWaalsContact O-N 3.08Å | ||
| 243 | E | 67.6 | Low | 65.9 | Low | 197 Ų | 197 | 129.1 Ų | 129.1 | 92% | 0.921 | 70% | 0.696 | S | S | * | * | trans | -66.1 | 108.8 | 171.6 | -72.2 | -178.1 | 175 | 0 | 0 | 108 | V241 D245 | V241-E243 PolarHBondContact O-N 3.38Å; E243-D245 PolarHBondContact O-N 2.72Å | ||
| 244 | I | 68.8 | Low | 66.1 | Low | 141 Ų | 141 | 127.1 Ų | 127.1 | 72% | 0.723 | 70% | 0.7 | S | S | * | * | trans | -85.9 | 104.4 | 176.3 | -37.9 | 177.8 | 0 | 0 | 0 | 106.4 | P242 V246 | P242-I244 WeakPolarHBondContact O-CG1 3.4Å; P242-I244 PolarHBondContact O-N 2.98Å; P242-I244 VanDerWaalsContact O-N 3.08Å; I244-V246 VanDerWaalsContact C-N 3.32Å; I244-V246 HydrophobicContact CB-CG2 3.98Å; I244-V246 HydrophobicContact CG2-CG2 3.42Å; I244-V246 VanDerWaalsContact CG2-CG2 3.42Å; I244-V246 PolarHBondContact O-N 3.12Å | ||
| 245 | D | 65.9 | Low | 66.1 | Low | 167 Ų | 167 | 121.6 Ų | 121.6 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | trans | -75.5 | 87 | 174.7 | -168.4 | 16.1 | 0 | 0 | 0 | 109.1 | E243 | E243-D245 PolarHBondContact O-N 2.72Š| ||
| 246 | V | 70.8 | Confident | 65.9 | Low | 66 Ų | 66 | 121.8 Ų | 121.8 | 40% | 0.4 | 70% | 0.701 | S | S | . | * | trans | -104.2 | 130 | 179.7 | -170.2 | 0 | 0 | 0 | 0 | 108.9 | I244 L250 | I244-V246 VanDerWaalsContact C-N 3.32Å; I244-V246 HydrophobicContact CB-CG2 3.98Å; I244-V246 HydrophobicContact CG2-CG2 3.42Å; I244-V246 VanDerWaalsContact CG2-CG2 3.42Å; I244-V246 PolarHBondContact O-N 3.12Å; V246-L250 HydrophobicContact CG1-CD1 3.94Å; V246-L250 HydrophobicContact CG1-CD2 3.43Å; V246-L250 VanDerWaalsContact CG1-CD2 3.43Å; V246-L250 HydrophobicContact CG1-CG 3.76Å | ||
| 247 | P | 69.7 | Low | 65.4 | Low | 88 Ų | 88 | 121.1 Ų | 121.1 | 57% | 0.571 | 70% | 0.701 | S | S | * | * | trans | -58.7 | 143.2 | 176.3 | 20.9 | -30.3 | 0 | 0 | 0 | 111.2 | Y249 | P247-Y249 PolarHBondContact O-N 2.79Š| ||
| 248 | S | 65 | Low | 65.1 | Low | 129 Ų | 129 | 117.4 Ų | 117.4 | 90% | 0.902 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -59.7 | -17 | -173.3 | -38.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 249 | Y | 61.2 | Low | 65.1 | Low | 158 Ų | 158 | 116.6 Ų | 116.6 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -123.3 | 114.1 | 172.2 | -97.1 | -89.9 | 0 | 0 | 0 | 108.6 | P247 P251 D258 | P247-Y249 PolarHBondContact O-N 2.79Å; Y249-P251 WeakPolarHBondContact O-CD 3.25Å; Y249-D258 HydrophobicContact CE1-CB 4.39Å |
| 250 | L | 66.8 | Low | 64.4 | Low | 80 Ų | 80 | 120.9 Ų | 120.9 | 42% | 0.419 | 69% | 0.687 | S | S | . | * | trans | -92.4 | 110.2 | 174.9 | -81.4 | 169.4 | 0 | 0 | 0 | 108.8 | V246 D252 L253 | V246-L250 HydrophobicContact CG1-CD1 3.94Å; V246-L250 HydrophobicContact CG1-CD2 3.43Å; V246-L250 VanDerWaalsContact CG1-CD2 3.43Å; V246-L250 HydrophobicContact CG1-CG 3.76Å; L250-D252 PolarHBondContact O-N 3.09Å; L250-L253 HydrophobicContact CB-CD1 3.85Å; L250-L253 HydrophobicContact CD1-CD1 3.85Å; L250-L253 HydrophobicContact CG-CD1 4.46Å | ||
| 251 | P | 65.6 | Low | 64.1 | Low | 113 Ų | 113 | 116.2 Ų | 116.2 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -69.6 | 130 | -179.1 | 26.8 | -32 | 0 | 0 | 0 | 111.6 | Y249 | Y249-P251 WeakPolarHBondContact O-CD 3.25Š|
| 252 | D | 62 | Low | 63.6 | Low | 152 Ų | 152 | 121.2 Ų | 121.2 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | trans | 62.7 | 61.1 | 166.2 | -67 | -30 | 0 | 0 | 0 | 117.4 | L250 P254 | L250-D252 PolarHBondContact O-N 3.09Å; D252-P254 VanDerWaalsContact O-CD 3.27Å; D252-P254 WeakPolarHBondContact O-CD 3.43Å | ||
| 253 | L | 63.5 | Low | 63.2 | Low | 78 Ų | 78 | 121.5 Ų | 121.5 | 41% | 0.408 | 69% | 0.69 | S | S | . | * | trans | -90.6 | 104.6 | 162 | -84.7 | 148.5 | 0 | 0 | 0 | 110.9 | L250 G255 I256 | L250-L253 HydrophobicContact CB-CD1 3.85Å; L250-L253 HydrophobicContact CD1-CD1 3.85Å; L250-L253 HydrophobicContact CG-CD1 4.46Å; L253-G255 PolarHBondContact O-N 3.42Å; L253-I256 HydrophobicContact CB-CB 4.17Å; L253-I256 HydrophobicContact CB-CD1 4.09Å; L253-I256 HydrophobicContact CB-CG1 4.31Å; L253-I256 HydrophobicContact CD1-CD1 4.28Å; L253-I256 HydrophobicContact CD2-CD1 4.06Å; L253-I256 HydrophobicContact CG-CD1 4.37Å; L253-I256 PolarHBondContact O-N 3.24Å | ||
| 254 | P | 65.4 | Low | 62.5 | Low | 132 Ų | 132 | 114.4 Ų | 114.4 | 86% | 0.857 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 109.9 | -179.8 | 26 | -33.3 | 0 | 0 | 0 | 110.7 | D252 | D252-P254 VanDerWaalsContact O-CD 3.27Å; D252-P254 WeakPolarHBondContact O-CD 3.43Å |
| 255 | G | 63.3 | Low | 61.9 | Low | 84 Ų | 84 | 115.2 Ų | 115.2 | 87% | 0.866 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.4 | 4.2 | 176 | 0 | 0 | 0 | 0 | 0 | 116 | L253 | L253-G255 PolarHBondContact O-N 3.42Š|
| 256 | I | 64.4 | Low | 61.6 | Low | 111 Ų | 111 | 114.5 Ų | 114.5 | 57% | 0.569 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -114.1 | 137.3 | 174.1 | -55.6 | 179.3 | 0 | 0 | 0 | 108.5 | L253 | L253-I256 HydrophobicContact CB-CB 4.17Å; L253-I256 HydrophobicContact CB-CD1 4.09Å; L253-I256 HydrophobicContact CB-CG1 4.31Å; L253-I256 HydrophobicContact CD1-CD1 4.28Å; L253-I256 HydrophobicContact CD2-CD1 4.06Å; L253-I256 HydrophobicContact CG-CD1 4.37Å; L253-I256 PolarHBondContact O-N 3.24Å |
| 257 | A | 56.8 | Low | 61.1 | Low | 62 Ų | 62 | 113.2 Ų | 113.2 | 51% | 0.512 | 67% | 0.667 | S | S | . | * | trans | -84.8 | 119.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D259 L260 | A257-D259 PolarHBondContact O-N 3.1Å; A257-L260 HydrophobicContact CB-CD1 4.23Å; A257-L260 HydrophobicContact CB-CG 4.27Å | ||
| 258 | D | 60.7 | Low | 60.5 | Low | 83 Ų | 83 | 115.4 Ų | 115.4 | 44% | 0.444 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.6 | 2.3 | -179.8 | -96.3 | -6.7 | 0 | 0 | 0 | 115 | Y249 | Y249-D258 HydrophobicContact CE1-CB 4.39Š|
| 259 | D | 62.6 | Low | 60 | Low | 138 Ų | 138 | 112.2 Ų | 112.2 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 12.9 | -177.9 | -165.8 | 26.2 | 0 | 0 | 0 | 112.9 | A257 S261 | A257-D259 PolarHBondContact O-N 3.1Å; D259-S261 PolarHBondContact O-N 3.23Å; D259-S261 VanDerWaalsContact O-N 3.15Å |
| 260 | L | 56.4 | Low | 59.3 | Low | 145 Ų | 145 | 114.8 Ų | 114.8 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | trans | -87.7 | 81.1 | 178.9 | -67.6 | 174 | 0 | 0 | 0 | 110.6 | A257 Y262 | A257-L260 HydrophobicContact CB-CD1 4.23Å; A257-L260 HydrophobicContact CB-CG 4.27Å; L260-Y262 PolarHBondContact O-N 2.89Å | ||
| 261 | S | 57.6 | Low | 58.3 | Low | 108 Ų | 108 | 114.4 Ų | 114.4 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | trans | -78.2 | 109.3 | 163.8 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | D259 S263 | D259-S261 PolarHBondContact O-N 3.23Å; D259-S261 VanDerWaalsContact O-N 3.15Å; S261-S263 PolarHBondContact O-N 3.06Å | ||
| 262 | Y | 54.9 | Low | 57.4 | Low | 208 Ų | 208 | 115.7 Ų | 115.7 | 82% | 0.816 | 70% | 0.7 | S | S | * | * | trans | -89 | 87.8 | 177.6 | -162.2 | -99.9 | 0 | 0 | 0 | 109.8 | L260 A264 | L260-Y262 PolarHBondContact O-N 2.89Å; Y262-A264 HydrophobicContact CD1-CB 3.71Å; Y262-A264 HydrophobicContact CE1-CB 3.29Å; Y262-A264 PolarHBondContact O-N 3.32Å | ||
| 263 | S | 57.7 | Low | 56.8 | Low | 111 Ų | 111 | 113.6 Ų | 113.6 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -87.2 | 84.9 | 165.4 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | S261 D265 | S261-S263 PolarHBondContact O-N 3.06Å; S263-D265 VanDerWaalsContact C-N 3.29Å; S263-D265 PolarHBondContact O-N 2.89Å | ||
| 264 | A | 53.3 | Low | 56.1 | Low | 49 Ų | 49 | 112.2 Ų | 112.2 | 41% | 0.405 | 70% | 0.702 | S | S | . | * | trans | -73.9 | 85.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y262 L266 | Y262-A264 HydrophobicContact CD1-CB 3.71Å; Y262-A264 HydrophobicContact CE1-CB 3.29Å; Y262-A264 PolarHBondContact O-N 3.32Å; A264-L266 HydrophobicContact CB-CG 4.05Å; A264-L266 PolarHBondContact O-N 2.67Å | ||
| 265 | D | 56 | Low | 55.4 | Low | 158 Ų | 158 | 112.6 Ų | 112.6 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -71.9 | 82 | 156.2 | -168.3 | 19.9 | 0 | 0 | 0 | 106.7 | S263 G267 | S263-D265 VanDerWaalsContact C-N 3.29Å; S263-D265 PolarHBondContact O-N 2.89Å; D265-G267 PolarHBondContact O-N 3.17Å | ||
| 266 | L | 59 | Low | 54.7 | Low | 151 Ų | 151 | 114.7 Ų | 114.7 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | -68.7 | 85.8 | 174.2 | -71.1 | 169 | 0 | 0 | 0 | 107.2 | A264 | A264-L266 HydrophobicContact CB-CG 4.05Å; A264-L266 PolarHBondContact O-N 2.67Å | ||
| 267 | G | 60.3 | Low | 53.7 | Low | 40 Ų | 40 | 116.5 Ų | 116.5 | 41% | 0.412 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 165.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D265 G269 | D265-G267 PolarHBondContact O-N 3.17Å; G267-G269 PolarHBondContact O-N 3.12Å |
| 268 | P | 58.8 | Low | 53.5 | Low | 133 Ų | 133 | 121.3 Ų | 121.3 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -47.5 | 118.1 | -173.8 | -25.8 | 32.8 | 0 | 0 | 0 | 111.5 | ||
| 269 | G | 53.1 | Low | 52.9 | Low | 62 Ų | 62 | 123.6 Ų | 123.6 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 141.2 | -167 | 0 | 0 | 0 | 0 | 0 | 113.7 | G267 A271 | G267-G269 PolarHBondContact O-N 3.12Å; G269-A271 PolarHBondContact O-N 3.23Å |
| 270 | F | 47.9 | Very low | 52.2 | Low | 213 Ų | 213 | 122.3 Ų | 122.3 | 93% | 0.934 | 74% | 0.738 | S | S | * | * | trans | -70.4 | 26 | -179.1 | -58.1 | -85.5 | 0 | 0 | 0 | 114.7 | ||||
| 271 | A | 44 | Very low | 51.6 | Low | 72 Ų | 72 | 124.7 Ų | 124.7 | 60% | 0.595 | 75% | 0.745 | S | S | * | * | trans | -85.7 | 126.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G269 S273 | G269-A271 PolarHBondContact O-N 3.23Å; A271-S273 PolarHBondContact O-N 3.47Å | ||
| 272 | P | 48.1 | Very low | 51 | Low | 139 Ų | 139 | 126.8 Ų | 126.8 | 90% | 0.903 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -78.1 | 25.8 | -172.7 | 33.3 | -35.3 | 0 | 0 | 0 | 113.9 | ||
| 273 | S | 47.9 | Very low | 50.5 | Low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -147.4 | 74.6 | -175.6 | 38.6 | 0 | 0 | 0 | 0 | 110.8 | A271 | A271-S273 PolarHBondContact O-N 3.47Š| ||
| 274 | G | 50 | Low | 49.6 | Very low | 49 Ų | 49 | 122.5 Ų | 122.5 | 51% | 0.505 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -139.2 | 146.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109 | T276 | G274-T276 PolarHBondContact O-N 3.03Š|
| 275 | P | 50.8 | Low | 49 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -83 | 60.3 | -170 | 36 | -35.3 | 0 | 0 | 0 | 111.4 | ||
| 276 | T | 47.4 | Very low | 48.2 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -145.7 | 75.4 | 168.6 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | G274 N278 | G274-T276 PolarHBondContact O-N 3.03Å; T276-N278 PolarHBondContact O-N 3.26Å; T276-N278 VanDerWaalsContact O-N 3.15Å | ||
| 277 | L | 43.8 | Very low | 47.3 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -73.8 | 95.2 | 168.3 | -83.6 | 158.2 | 0 | 0 | 0 | 109.1 | I279 | L277-I279 HydrophobicContact CD2-CD1 3.56Å; L277-I279 HydrophobicContact CD2-CG1 3.82Å | ||
| 278 | N | 52.1 | Low | 46.1 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -111.8 | 88.3 | 155.8 | -113 | -14.7 | 0 | 0 | 0 | 106.9 | T276 | T276-N278 PolarHBondContact O-N 3.26Å; T276-N278 VanDerWaalsContact O-N 3.15Å | ||
| 279 | I | 48.2 | Very low | 45.3 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 67% | 0.672 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -82 | 129 | 175.6 | -67.3 | 165.6 | 0 | 0 | 0 | 108.1 | L277 E281 | L277-I279 HydrophobicContact CD2-CD1 3.56Å; L277-I279 HydrophobicContact CD2-CG1 3.82Å; I279-E281 PolarHBondContact O-N 2.69Å |
| 280 | P | 48 | Very low | 44.2 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 126.1 | 168.4 | -13.1 | 27.8 | 0 | 0 | 0 | 110.3 | L282 | P280-L282 PolarHBondContact O-N 3.1Š|
| 281 | E | 43.6 | Very low | 43.6 | Very low | 194 Ų | 194 | 126.7 Ų | 126.7 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 119.2 | 178.1 | -167.9 | 173.1 | -176.6 | 0 | 0 | 110.8 | I279 | I279-E281 PolarHBondContact O-N 2.69Š|
| 282 | L | 45.8 | Very low | 43.3 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 151.3 | 174.2 | -71.2 | 170.5 | 0 | 0 | 0 | 110.4 | P280 S284 | P280-L282 PolarHBondContact O-N 3.1Å; L282-S284 PolarHBondContact O-N 2.8Å |
| 283 | P | 44.3 | Very low | 42.6 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 127.7 | -172.8 | -14.7 | 28 | 0 | 0 | 0 | 112 | F285 | P283-F285 PolarHBondContact O-N 3.46Š|
| 284 | S | 40.1 | Very low | 42.1 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 119.7 | 174.9 | -164.1 | 0 | 0 | 0 | 0 | 110.3 | L282 S286 | L282-S284 PolarHBondContact O-N 2.8Å; S284-S286 PolarHBondContact O-N 3.2Å |
| 285 | F | 39.8 | Very low | 41.7 | Very low | 196 Ų | 196 | 133.7 Ų | 133.7 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 116.2 | 167.3 | -70.6 | -82.4 | 0 | 0 | 0 | 108.5 | P283 G287 | P283-F285 PolarHBondContact O-N 3.46Å; F285-G287 PolarHBondContact O-N 3.33Å |
| 286 | S | 38.7 | Very low | 40.9 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -58.2 | 103.2 | 174.7 | 39.7 | 0 | 0 | 0 | 0 | 111.2 | S284 E288 | S284-S286 PolarHBondContact O-N 3.2Å; S286-E288 PolarHBondContact O-N 3.44Å | ||
| 287 | G | 40.4 | Very low | 40.4 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -72.1 | 103.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | F285 G289 | F285-G287 PolarHBondContact O-N 3.33Å; G287-G289 PolarHBondContact O-N 3.5Å | ||
| 288 | E | 35 | Very low | 40 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -71 | 118.2 | 174.6 | -156.5 | 168.3 | 170.7 | 0 | 0 | 109.1 | S286 | S286-E288 PolarHBondContact O-N 3.44Š| ||
| 289 | G | 42.3 | Very low | 39.5 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -73.6 | 140.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G287 | G287-G289 PolarHBondContact O-N 3.5Š| ||
| 290 | V | 30.8 | Very low | 39.3 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -135.3 | 124.1 | 164 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 291 | S | 35.1 | Very low | 39.6 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -48.4 | 160.1 | 173.7 | -173.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 292 | P | 37.8 | Very low | 40.4 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -84.2 | 139.9 | 178.5 | 32.6 | -32.5 | 0 | 0 | 0 | 114.2 | ||||
| 293 | G | 32.5 | Very low | 41 | Very low | 75 Ų | 75 | 132.6 Ų | 132.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 103.8 | 148.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 294 | P | 38.3 | Very low | 42 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | cis | -126.8 | 176.5 | 11.3 | 38.8 | -20.9 | 0 | 0 | 0 | 115.7 | ||||
| 295 | E | 41.1 | Very low | 43.3 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -51.4 | 137.8 | 178.8 | -61.1 | -176.5 | 113.1 | 0 | 0 | 115.4 | ||||
| 296 | L | 34.2 | Very low | 44.3 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -128.9 | 118.6 | 153.1 | -89.4 | 171.3 | 0 | 0 | 0 | 109.8 | N298 | L296-N298 PolarHBondContact O-N 2.65Š| ||
| 297 | Q | 37.2 | Very low | 45.7 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | -56.8 | 120.8 | 178.2 | -72.4 | 162.2 | -31 | 0 | 0 | 112.1 | ||||
| 298 | N | 35 | Very low | 46.8 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -97.3 | 96.4 | 154.3 | -97.7 | -15.5 | 0 | 0 | 0 | 108.3 | L296 L300 | L296-N298 PolarHBondContact O-N 2.65Å; N298-L300 PolarHBondContact O-N 3.37Å | ||
| 299 | N | 41.7 | Very low | 48 | Very low | 144 Ų | 144 | 127.4 Ų | 127.4 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 99.1 | 167.2 | -86.7 | -23.4 | 0 | 0 | 0 | 109.7 | ||||
| 300 | L | 43.2 | Very low | 49.1 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -121.1 | 127.4 | 156.9 | -80.2 | 161.7 | 0 | 0 | 0 | 107.6 | N298 | N298-L300 PolarHBondContact O-N 3.37Š| ||
| 301 | P | 54 | Low | 50.1 | Low | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 148.3 | -177.7 | 27.9 | -32.3 | 0 | 0 | 0 | 111.4 | ||
| 302 | P | 61.8 | Low | 50.7 | Low | 115 Ų | 115 | 129.7 Ų | 129.7 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 152.6 | 177.8 | 28.8 | -34.1 | 0 | 0 | 0 | 111.8 | ||
| 303 | P | 57.8 | Low | 51 | Low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 147.4 | 174.5 | 28.3 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 304 | P | 65.9 | Low | 51.6 | Low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 150.4 | -177.3 | 27.6 | -34.1 | 0 | 0 | 0 | 112.4 | ||
| 305 | P | 67.2 | Low | 51.8 | Low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68 | 152.6 | 177.4 | 28.4 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 306 | P | 60.9 | Low | 51.9 | Low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 147 | 177.1 | 27.5 | -33.7 | 0 | 0 | 0 | 111.8 | ||
| 307 | P | 66.6 | Low | 52.5 | Low | 117 Ų | 117 | 129.3 Ų | 129.3 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 147.3 | -178.5 | 27.5 | -33.6 | 0 | 0 | 0 | 112.3 | ||
| 308 | P | 64.1 | Low | 52.8 | Low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 150 | 177.5 | 28.4 | -33.9 | 0 | 0 | 0 | 112.2 | ||
| 309 | P | 60.8 | Low | 52.8 | Low | 117 Ų | 117 | 126.7 Ų | 126.7 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 143.2 | 177.7 | 28.2 | -33.5 | 0 | 0 | 0 | 111.7 | ||
| 310 | P | 64.9 | Low | 52.8 | Low | 116 Ų | 116 | 124.2 Ų | 124.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 149.9 | 178.9 | 27.9 | -33.4 | 0 | 0 | 0 | 112.4 | ||
| 311 | P | 51.3 | Low | 52.8 | Low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 143.6 | -179.7 | 27.6 | -32.8 | 0 | 0 | 0 | 112 | ||
| 312 | S | 48 | Very low | 52 | Low | 126 Ų | 126 | 123.5 Ų | 123.5 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 129.8 | 173.8 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 313 | E | 45.4 | Very low | 50.8 | Low | 186 Ų | 186 | 121.9 Ų | 121.9 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -131.5 | 159.1 | 171.4 | -97.9 | -164.6 | 171.6 | 0 | 0 | 111.1 | ||||
| 314 | P | 45.4 | Very low | 50.1 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -88.1 | 157.1 | -134.5 | -8 | 26.3 | 0 | 0 | 0 | 115.8 | ||||
| 315 | A | 42.2 | Very low | 49.1 | Very low | 100 Ų | 100 | 120.9 Ų | 120.9 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -60.2 | 135.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 316 | L | 42.3 | Very low | 48.4 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -130.5 | 155.2 | 163.7 | -79.2 | 175.5 | 0 | 0 | 0 | 110.3 | ||||
| 317 | P | 46.3 | Very low | 48.1 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | trans | -91.7 | 176.6 | -145.9 | 39.3 | -38 | 0 | 0 | 0 | 114.3 | ||||
| 318 | P | 43.1 | Very low | 47.6 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | -87.5 | 143.4 | -157.9 | 35 | -31.4 | 0 | 0 | 0 | 113.2 | ||||
| 319 | T | 36.4 | Very low | 47.4 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -121.3 | 118.8 | 165.2 | 48.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 320 | A | 41.3 | Very low | 47.3 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -88.2 | -176.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 321 | P | 43.7 | Very low | 47 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | -123.3 | 164.2 | -61.7 | 34.6 | -20.4 | 0 | 0 | 0 | 111 | |||||
| 322 | S | 36.1 | Very low | 47.3 | Very low | 126 Ų | 126 | 121.6 Ų | 121.6 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -150.7 | 110.3 | 161.7 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 323 | G | 38.2 | Very low | 47.5 | Very low | 80 Ų | 80 | 121 Ų | 121 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 43.2 | 103.6 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 324 | A | 41.1 | Very low | 47.8 | Very low | 94 Ų | 94 | 118.3 Ų | 118.3 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -128 | 144.5 | 151 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 325 | P | 45.7 | Very low | 47.4 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 157.3 | -172.2 | 31.5 | -34.6 | 0 | 0 | 0 | 112.9 | ||
| 326 | P | 52.6 | Low | 47.3 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 150.3 | -174.2 | 30.5 | -34.6 | 0 | 0 | 0 | 113.5 | ||
| 327 | P | 53.9 | Low | 46.9 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 155.5 | 174.3 | 30.8 | -34.4 | 0 | 0 | 0 | 112.9 | ||
| 328 | P | 57.6 | Low | 46.6 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 153.1 | -178.4 | 29.1 | -35.1 | 0 | 0 | 0 | 113.6 | ||
| 329 | P | 58.8 | Low | 46.4 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 153.1 | -176.6 | 30.5 | -35 | 0 | 0 | 0 | 114.1 | ||
| 330 | P | 58.4 | Low | 46.2 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 154.2 | 175.9 | 30.8 | -34.5 | 0 | 0 | 0 | 113.4 | ||
| 331 | P | 59.8 | Low | 45.9 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 149.9 | 179.6 | 28.6 | -33.9 | 0 | 0 | 0 | 113.8 | ||
| 332 | P | 56.1 | Low | 45.3 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 156.2 | -175.3 | 31.2 | -35.1 | 0 | 0 | 0 | 114.7 | ||
| 333 | P | 52.9 | Low | 45.2 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 151.8 | 177.6 | 31.4 | -34.3 | 0 | 0 | 0 | 113 | ||
| 334 | P | 52.1 | Low | 45.3 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 136.4 | 178 | 27.4 | -31.8 | 0 | 0 | 0 | 113.2 | ||
| 335 | T | 36.3 | Very low | 44.7 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 137 | 178.8 | -50.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 336 | I | 40.6 | Very low | 44.5 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 123.6 | 168.9 | -67.3 | 163.8 | 0 | 0 | 0 | 108.2 | I338 | I336-I338 HydrophobicContact CG2-CG1 4.09Š|
| 337 | E | 34.3 | Very low | 43.4 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -111.8 | 123.2 | 163.8 | -72.1 | -168.6 | 169.7 | 0 | 0 | 109.9 | ||||
| 338 | I | 39.9 | Very low | 42.4 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | -101.2 | 139.6 | 169.6 | -52.2 | 167.4 | 0 | 0 | 0 | 106.4 | I336 V340 | I336-I338 HydrophobicContact CG2-CG1 4.09Å; I338-V340 HydrophobicContact CG2-CG2 4.24Å | ||
| 339 | P | 38.2 | Very low | 41.1 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -122.9 | 149.2 | 139.9 | 0.7 | 20.7 | 0 | 0 | 0 | 113.6 | ||||
| 340 | V | 33.5 | Very low | 40.2 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -96.1 | 134.8 | -166.3 | 159.5 | 0 | 0 | 0 | 0 | 111.3 | I338 | I338-V340 HydrophobicContact CG2-CG2 4.24Š| ||
| 341 | E | 33.4 | Very low | 38.8 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | 67.3 | 121.8 | 136.1 | -157.5 | 161.3 | -159.2 | 0 | 0 | 122.7 | ||||
| 342 | A | 32.8 | Very low | 37.5 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | 173.8 | 130.1 | 111.5 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 343 | T | 33 | Very low | 36.7 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -62.3 | 169.6 | 173 | 39.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 344 | P | 40.1 | Very low | 35.7 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | cis | -146.8 | 165.2 | 37.1 | 38.5 | -15.1 | 0 | 0 | 0 | 120.7 | ||||
| 345 | T | 28.1 | Very low | 34.9 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -61.2 | 171.6 | 164 | 44.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 346 | P | 41.1 | Very low | 35.1 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | cis | -137.2 | 172 | 36.4 | 36.3 | -13.2 | 0 | 0 | 0 | 114.7 | ||||
| 347 | S | 29.8 | Very low | 35.4 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | -179.5 | 152 | 54.9 | 176.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 348 | S | 32.8 | Very low | 35.9 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 80.9 | 115.5 | 155.6 | -153 | 0 | 0 | 0 | 0 | 121 | ||||
| 349 | G | 30.7 | Very low | 36.2 | Very low | 68 Ų | 68 | 122.3 Ų | 122.3 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -84.9 | -151.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 350 | P | 40.6 | Very low | 36.6 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | cis | -135.7 | 175.8 | -2.7 | 39.7 | -19.6 | 0 | 0 | 0 | 116.4 | ||||
| 351 | V | 29.5 | Very low | 37.2 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | 62.1 | 135.9 | 154.7 | -64 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 352 | S | 32.1 | Very low | 38.3 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | 111.2 | 126.9 | 137.3 | -148.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 353 | G | 38.3 | Very low | 39.7 | Very low | 76 Ų | 76 | 122.1 Ų | 122.1 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -80.1 | 147.8 | -171 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 354 | A | 31.8 | Very low | 41.5 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -166.1 | 145 | 153.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 355 | P | 36.7 | Very low | 43.2 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -72.7 | 140.7 | -175.7 | 28.4 | -31.8 | 0 | 0 | 0 | 112.8 | E357 | P355-E357 PolarHBondContact O-N 3.44Š| ||
| 356 | S | 40.8 | Very low | 45.5 | Very low | 123 Ų | 123 | 116.6 Ų | 116.6 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -66.1 | 90.3 | 174 | -79.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 357 | E | 45.4 | Very low | 47.4 | Very low | 180 Ų | 180 | 114.1 Ų | 114.1 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -139.6 | 45.9 | 163.2 | -156.1 | -179.8 | 171.3 | 0 | 0 | 111.7 | P355 | P355-E357 PolarHBondContact O-N 3.44Š| ||
| 358 | V | 46.2 | Very low | 49.9 | Very low | 142 Ų | 142 | 113.6 Ų | 113.6 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -138.1 | 53 | 168.5 | -163.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 359 | V | 45.4 | Very low | 52.2 | Low | 126 Ų | 126 | 111.8 Ų | 111.8 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -126.3 | 7.8 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 360 | Q | 45.8 | Very low | 54.4 | Low | 186 Ų | 186 | 113.2 Ų | 113.2 | 87% | 0.869 | 69% | 0.691 | S | S | * | * | trans | -137.7 | 100.5 | 168.6 | -66.5 | -168.3 | 20 | 0 | 0 | 111.6 | S362 | Q360-S362 PolarHBondContact O-N 3.45Š| ||
| 361 | P | 47.4 | Very low | 56.2 | Low | 99 Ų | 99 | 110.8 Ų | 110.8 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | trans | -66.1 | 127.9 | 164.6 | 28.9 | -29.3 | 0 | 0 | 0 | 107.2 | D363 | P361-D363 PolarHBondContact O-N 2.75Š| ||
| 362 | S | 55.2 | Low | 58.2 | Low | 83 Ų | 83 | 108.8 Ų | 108.8 | 58% | 0.58 | 66% | 0.66 | S | S | * | * | trans | -45.5 | 138.3 | 178.3 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | Q360 G364 R365 A366 | Q360-S362 PolarHBondContact O-N 3.45Å; S362-G364 PolarHBondContact O-N 2.87Å; S362-R365 PolarHBondContact O-N 2.85Å; S362-A366 PolarHBondContact O-N 2.96Å | ||
| 363 | D | 63.3 | Low | 60.4 | Low | 143 Ų | 143 | 111.1 Ų | 111.1 | 77% | 0.765 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -48.8 | -27.2 | 178.9 | -154.6 | 11 | 0 | 0 | 0 | 112.6 | P361 S367 | P361-D363 PolarHBondContact O-N 2.75Å; D363-S367 VanDerWaalsContact O-CB 3.32Å; D363-S367 WeakPolarHBondContact O-CB 3.21Å; D363-S367 PolarHBondContact O-N 2.7Å |
| 364 | G | 70.8 | Confident | 61.9 | Low | 53 Ų | 53 | 113.8 Ų | 113.8 | 55% | 0.546 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.6 | -37.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115 | S362 L368 | S362-G364 PolarHBondContact O-N 2.87Å; G364-L368 WeakPolarHBondContact O-CB 3.48Å; G364-L368 PolarHBondContact O-N 3.34Å; G364-L368 VanDerWaalsContact O-N 3.1Å |
| 365 | R | 74.9 | Confident | 63.5 | Low | 168 Ų | 168 | 113.2 Ų | 113.2 | 63% | 0.634 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -77 | -35.9 | 178.1 | -172.1 | 174.5 | 178.8 | 172.5 | -0.7 | 111.3 | S362 L368 L369 | S362-R365 PolarHBondContact O-N 2.85Å; R365-L368 PolarHBondContact O-N 3.32Å; R365-L369 HydrophobicContact CG-CD1 4.14Å; R365-L369 HydrophobicContact CG-CG 4.5Å; R365-L369 WeakPolarHBondContact O-CB 3.32Å; R365-L369 VanDerWaalsContact O-CG 3.29Å; R365-L369 WeakPolarHBondContact O-CG 3.47Å; R365-L369 PolarHBondContact O-N 2.74Å |
| 366 | A | 77.8 | Confident | 64.3 | Low | 46 Ų | 46 | 108.1 Ų | 108.1 | 38% | 0.38 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.5 | -47.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S362 L368 L369 E370 | S362-A366 PolarHBondContact O-N 2.96Å; A366-L368 VanDerWaalsContact C-N 3.3Å; A366-L368 PolarHBondContact O-N 2.75Å; A366-L369 PolarHBondContact O-N 2.66Å; A366-E370 WeakPolarHBondContact O-CB 3.35Å; A366-E370 PolarHBondContact O-N 2.88Å |
| 367 | S | 81 | Confident | 65.4 | Low | 72 Ų | 72 | 105.4 Ų | 105.4 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.6 | -38.9 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | D363 E370 S371 | D363-S367 VanDerWaalsContact O-CB 3.32Å; D363-S367 WeakPolarHBondContact O-CB 3.21Å; D363-S367 PolarHBondContact O-N 2.7Å; S367-E370 PolarHBondContact O-N 2.96Å; S367-S371 WeakPolarHBondContact O-CB 3.16Å; S367-S371 PolarHBondContact O-N 2.71Å; S367-S371 PolarHBondContact O-OG 2.76Å |
| 368 | L | 82 | Confident | 65.7 | Low | 101 Ų | 101 | 105.9 Ų | 105.9 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67 | -43.8 | 177.2 | 179.5 | 63.3 | 0 | 0 | 0 | 111.9 | G364 R365 A366 E370 S371 I372 | G364-L368 WeakPolarHBondContact O-CB 3.48Å; G364-L368 PolarHBondContact O-N 3.34Å; G364-L368 VanDerWaalsContact O-N 3.1Å; R365-L368 PolarHBondContact O-N 3.32Å; A366-L368 VanDerWaalsContact C-N 3.3Å; A366-L368 PolarHBondContact O-N 2.75Å; L368-E370 VanDerWaalsContact C-N 3.33Å; L368-S371 PolarHBondContact O-N 2.9Å; L368-I372 HydrophobicContact CD1-CD1 4.08Å; L368-I372 HydrophobicContact CD1-CG1 4.39Å; L368-I372 HydrophobicContact CG-CD1 3.88Å; L368-I372 WeakPolarHBondContact O-CB 3.31Å; L368-I372 WeakPolarHBondContact O-CG1 3.39Å; L368-I372 PolarHBondContact O-N 2.83Å |
| 369 | L | 81.1 | Confident | 66.3 | Low | 82 Ų | 82 | 102.4 Ų | 102.4 | 43% | 0.429 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.2 | -32.8 | 177.4 | -69.7 | 171.5 | 0 | 0 | 0 | 112 | R365 A366 R373 | R365-L369 HydrophobicContact CG-CD1 4.14Å; R365-L369 HydrophobicContact CG-CG 4.5Å; R365-L369 WeakPolarHBondContact O-CB 3.32Å; R365-L369 VanDerWaalsContact O-CG 3.29Å; R365-L369 WeakPolarHBondContact O-CG 3.47Å; R365-L369 PolarHBondContact O-N 2.74Å; A366-L369 PolarHBondContact O-N 2.66Å; L369-R373 WeakPolarHBondContact O-CB 2.93Å; L369-R373 WeakPolarHBondContact O-CG 3.36Å; L369-R373 PolarHBondContact O-N 3.32Å |
| 370 | E | 77.1 | Confident | 66.9 | Low | 97 Ų | 97 | 105.1 Ų | 105.1 | 45% | 0.453 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.1 | -45.9 | 170.4 | -154 | 72.3 | -159 | 0 | 0 | 111.3 | A366 S367 L368 I372 R373 N374 | A366-E370 WeakPolarHBondContact O-CB 3.35Å; A366-E370 PolarHBondContact O-N 2.88Å; S367-E370 PolarHBondContact O-N 2.96Å; L368-E370 VanDerWaalsContact C-N 3.33Å; E370-I372 VanDerWaalsContact C-N 3.35Å; E370-I372 PolarHBondContact O-N 3.01Å; E370-R373 PolarHBondContact O-N 3.15Å; E370-R373 IonicContact OE2-CZ 3.77Å; E370-R373 IonicContact OE2-NE 3.42Å; E370-R373 IonicContact OE2-NH2 3.19Å; E370-R373 PolarHBondContact OE2-NH2 3.4Å; E370-N374 WeakPolarHBondContact O-CB 3.45Å; E370-N374 PolarHBondContact O-N 2.9Å; E370-N374 PolarHBondContact O-ND2 2.98Å |
| 371 | S | 78.1 | Confident | 67.3 | Low | 67 Ų | 67 | 99.4 Ų | 99.4 | 47% | 0.469 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.1 | -38.1 | 174.7 | -71.8 | 0 | 0 | 0 | 0 | 112.5 | S367 L368 N374 A375 | S367-S371 WeakPolarHBondContact O-CB 3.16Å; S367-S371 PolarHBondContact O-N 2.71Å; S367-S371 PolarHBondContact O-OG 2.76Å; L368-S371 PolarHBondContact O-N 2.9Å; S371-N374 PolarHBondContact O-N 2.86Å; S371-A375 WeakPolarHBondContact O-CB 3.24Å; S371-A375 PolarHBondContact O-N 3.05Å |
| 372 | I | 70.6 | Confident | 68 | Low | 98 Ų | 98 | 104.7 Ų | 104.7 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.1 | -39 | 176.7 | -69.1 | 165.6 | 0 | 0 | 0 | 110.9 | L368 E370 A375 G376 | L368-I372 HydrophobicContact CD1-CD1 4.08Å; L368-I372 HydrophobicContact CD1-CG1 4.39Å; L368-I372 HydrophobicContact CG-CD1 3.88Å; L368-I372 WeakPolarHBondContact O-CB 3.31Å; L368-I372 WeakPolarHBondContact O-CG1 3.39Å; L368-I372 PolarHBondContact O-N 2.83Å; E370-I372 VanDerWaalsContact C-N 3.35Å; E370-I372 PolarHBondContact O-N 3.01Å; I372-A375 PolarHBondContact O-N 3.25Å; I372-G376 PolarHBondContact O-N 2.97Å |
| 373 | R | 78.1 | Confident | 68.2 | Low | 173 Ų | 173 | 108.5 Ų | 108.5 | 65% | 0.653 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.4 | -41.2 | 173.3 | -78.8 | -174.9 | -71.2 | -160.2 | 3.9 | 112.1 | L369 E370 | L369-R373 WeakPolarHBondContact O-CB 2.93Å; L369-R373 WeakPolarHBondContact O-CG 3.36Å; L369-R373 PolarHBondContact O-N 3.32Å; E370-R373 PolarHBondContact O-N 3.15Å; E370-R373 IonicContact OE2-CZ 3.77Å; E370-R373 IonicContact OE2-NE 3.42Å; E370-R373 IonicContact OE2-NH2 3.19Å; E370-R373 PolarHBondContact OE2-NH2 3.4Å |
| 374 | N | 69.6 | Low | 68.4 | Low | 131 Ų | 131 | 111.1 Ų | 111.1 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.8 | -31 | 176.8 | -73.2 | -21.9 | 0 | 0 | 0 | 113.3 | E370 S371 G376 | E370-N374 WeakPolarHBondContact O-CB 3.45Å; E370-N374 PolarHBondContact O-N 2.9Å; E370-N374 PolarHBondContact O-ND2 2.98Å; S371-N374 PolarHBondContact O-N 2.86Å; N374-G376 PolarHBondContact O-N 3.31Å |
| 375 | A | 66.3 | Low | 67.9 | Low | 80 Ų | 80 | 113.2 Ų | 113.2 | 66% | 0.661 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -6.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S371 I372 | S371-A375 WeakPolarHBondContact O-CB 3.24Å; S371-A375 PolarHBondContact O-N 3.05Å; I372-A375 PolarHBondContact O-N 3.25Å |
| 376 | G | 54.2 | Low | 67.2 | Low | 20 Ų | 20 | 110.5 Ų | 110.5 | 21% | 0.206 | 62% | 0.615 | C | S | . | * | trans | 57.4 | 84.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I372 N374 | I372-G376 PolarHBondContact O-N 2.97Å; N374-G376 PolarHBondContact O-N 3.31Å | ||
| 377 | G | 63.4 | Low | 66.6 | Low | 66 Ų | 66 | 113.7 Ų | 113.7 | 68% | 0.68 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 143.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G379 | G377-G379 PolarHBondContact O-N 3.38Š|
| 378 | I | 51.6 | Low | 65.8 | Low | 190 Ų | 190 | 116 Ų | 116 | 97% | 0.974 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.1 | -27.7 | 163.8 | -39.5 | 178.7 | 0 | 0 | 0 | 119.5 | ||
| 379 | G | 58.4 | Low | 64.9 | Low | 70 Ų | 70 | 120.5 Ų | 120.5 | 72% | 0.722 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | -2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | G377 | G377-G379 PolarHBondContact O-N 3.38Š|
| 380 | K | 58.4 | Low | 64.1 | Low | 182 Ų | 182 | 124.3 Ų | 124.3 | 79% | 0.791 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -125.5 | -2.1 | -176.4 | -70.6 | -90.5 | -179.2 | 166.9 | 0 | 114.9 | K382 | K380-K382 PolarHBondContact O-N 3.19Å; K380-K382 VanDerWaalsContact O-N 3.11Å |
| 381 | A | 54.1 | Low | 63.2 | Low | 66 Ų | 66 | 126.5 Ų | 126.5 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | trans | -66.8 | 109.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L383 | A381-L383 HydrophobicContact CB-CG 4.47Å; A381-L383 PolarHBondContact O-N 3.35Å | ||
| 382 | K | 61.3 | Low | 62.5 | Low | 210 Ų | 210 | 128.3 Ų | 128.3 | 91% | 0.913 | 66% | 0.664 | S | S | * | * | trans | -65.7 | 78.9 | 170.3 | -94.3 | 179.3 | 174.5 | 174.6 | 0 | 109.5 | K380 R384 | K380-K382 PolarHBondContact O-N 3.19Å; K380-K382 VanDerWaalsContact O-N 3.11Å; K382-R384 PolarHBondContact O-N 3.03Å | ||
| 383 | L | 59.2 | Low | 62.3 | Low | 163 Ų | 163 | 131 Ų | 131 | 85% | 0.853 | 67% | 0.672 | S | S | * | * | trans | -72.6 | 112.3 | 170.1 | -70.6 | 170.7 | 0 | 0 | 0 | 108.4 | A381 | A381-L383 HydrophobicContact CB-CG 4.47Å; A381-L383 PolarHBondContact O-N 3.35Å | ||
| 384 | R | 67.4 | Low | 61.7 | Low | 198 Ų | 198 | 130.3 Ų | 130.3 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | trans | -77.6 | 141.7 | 171.9 | -66.8 | -173.9 | -179.3 | 160.4 | 0.6 | 110.1 | K382 | K382-R384 PolarHBondContact O-N 3.03Š| ||
| 385 | N | 61.3 | Low | 61.5 | Low | 98 Ų | 98 | 131.7 Ų | 131.7 | 52% | 0.524 | 67% | 0.674 | S | S | . | * | trans | -64.4 | 136.9 | 179.7 | -179 | -30.6 | 0 | 0 | 0 | 111 | N387 E388 | N385-N387 PolarHBondContact O-N 3.32Å; N385-N387 VanDerWaalsContact O-N 3.1Å; N385-N387 WeakPolarHBondContact OD1-CB 3.3Å; N385-N387 PolarHBondContact OD1-N 3.42Å; N385-E388 PolarHBondContact O-N 3.4Å; N385-E388 VanDerWaalsContact O-N 3.09Å | ||
| 386 | V | 60 | Low | 61.3 | Low | 111 Ų | 111 | 133 Ų | 133 | 67% | 0.673 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -54.3 | -27.1 | 179.2 | 173 | 0 | 0 | 0 | 0 | 113.3 | R389 K390 | V386-R389 PolarHBondContact O-N 3.23Å; V386-K390 PolarHBondContact O-N 3.31Å |
| 387 | N | 66.3 | Low | 61.5 | Low | 112 Ų | 112 | 139.7 Ų | 139.7 | 60% | 0.599 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -72.3 | -33.9 | 178.7 | -69.4 | -22.1 | 0 | 0 | 0 | 113.2 | N385 K390 M391 | N385-N387 PolarHBondContact O-N 3.32Å; N385-N387 VanDerWaalsContact O-N 3.1Å; N385-N387 WeakPolarHBondContact OD1-CB 3.3Å; N385-N387 PolarHBondContact OD1-N 3.42Å; N387-K390 PolarHBondContact O-N 2.99Å; N387-M391 PolarHBondContact O-N 3.45Å |
| 388 | E | 63.8 | Low | 61.2 | Low | 121 Ų | 121 | 144 Ų | 144 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.6 | -40.1 | 173.3 | -81.2 | -178.1 | 144.5 | 0 | 0 | 111.1 | N385 K390 M391 E392 | N385-E388 PolarHBondContact O-N 3.4Å; N385-E388 VanDerWaalsContact O-N 3.09Å; E388-K390 PolarHBondContact O-N 3.07Å; E388-M391 PolarHBondContact O-N 2.97Å; E388-E392 WeakPolarHBondContact O-CB 3.36Å; E388-E392 PolarHBondContact O-N 3.12Å |
| 389 | R | 61.8 | Low | 61.3 | Low | 195 Ų | 195 | 142.1 Ų | 142.1 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -62.7 | -29.2 | 177.1 | -171.3 | -178.3 | -85.6 | -174.8 | -5.3 | 112.2 | V386 K393 | V386-R389 PolarHBondContact O-N 3.23Å; R389-K393 WeakPolarHBondContact O-CB 3.35Å; R389-K393 PolarHBondContact O-N 3.15Å |
| 390 | K | 65.4 | Low | 61.1 | Low | 162 Ų | 162 | 146.6 Ų | 146.6 | 70% | 0.704 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -79.8 | -32.2 | 179.7 | -151.8 | 175.2 | -176.3 | -179.3 | 0 | 112.5 | V386 N387 E388 K394 | V386-K390 PolarHBondContact O-N 3.31Å; N387-K390 PolarHBondContact O-N 2.99Å; E388-K390 PolarHBondContact O-N 3.07Å; K390-K394 PolarHBondContact O-N 3.1Å |
| 391 | M | 58.5 | Low | 60.7 | Low | 144 Ų | 144 | 146.4 Ų | 146.4 | 71% | 0.709 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -77.8 | -39.1 | 176.1 | -69.1 | -70.6 | -86.4 | 0 | 0 | 111.9 | N387 E388 K394 K395 | N387-M391 PolarHBondContact O-N 3.45Å; E388-M391 PolarHBondContact O-N 2.97Å; M391-K394 PolarHBondContact O-N 3.47Å; M391-K395 PolarHBondContact O-N 2.94Å; M391-K395 VanDerWaalsContact O-N 3.1Å |
| 392 | E | 63.1 | Low | 60.4 | Low | 105 Ų | 105 | 147.2 Ų | 147.2 | 49% | 0.491 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -70.8 | -35.8 | 178.2 | -159 | 167 | -148.3 | 0 | 0 | 111.8 | E388 K394 K395 Q396 | E388-E392 WeakPolarHBondContact O-CB 3.36Å; E388-E392 PolarHBondContact O-N 3.12Å; E392-K394 VanDerWaalsContact C-N 3.33Å; E392-K394 PolarHBondContact O-N 3.25Å; E392-K395 PolarHBondContact O-N 3.26Å; E392-Q396 WeakPolarHBondContact O-CG 3.32Å; E392-Q396 PolarHBondContact O-N 3.29Å |
| 393 | K | 66.5 | Low | 59.4 | Low | 154 Ų | 154 | 143.3 Ų | 143.3 | 67% | 0.67 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72 | -23.9 | 174.4 | -159.6 | 170.3 | -171.1 | 176.9 | 0 | 113.3 | R389 K397 | R389-K393 WeakPolarHBondContact O-CB 3.35Å; R389-K393 PolarHBondContact O-N 3.15Å; K393-K397 VanDerWaalsContact O-CB 3.32Å; K393-K397 WeakPolarHBondContact O-CB 3.28Å; K393-K397 PolarHBondContact O-N 3.32Å |
| 394 | K | 64.5 | Low | 58.2 | Low | 158 Ų | 158 | 138.8 Ų | 138.8 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -75.5 | -36.6 | 170.6 | -166.8 | 176.9 | 178.2 | -174.7 | 0 | 111.2 | K390 M391 E392 E398 | K390-K394 PolarHBondContact O-N 3.1Å; M391-K394 PolarHBondContact O-N 3.47Å; E392-K394 VanDerWaalsContact C-N 3.33Å; E392-K394 PolarHBondContact O-N 3.25Å; K394-E398 PolarHBondContact O-N 3.3Å |
| 395 | K | 65.7 | Low | 57.1 | Low | 161 Ų | 161 | 134.3 Ų | 134.3 | 70% | 0.7 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.7 | -35.2 | 176.9 | -160.6 | 174.4 | -178.2 | -178.4 | 0 | 113 | M391 E392 Q399 | M391-K395 PolarHBondContact O-N 2.94Å; M391-K395 VanDerWaalsContact O-N 3.1Å; E392-K395 PolarHBondContact O-N 3.26Å; K395-Q399 PolarHBondContact O-N 3.32Å |
| 396 | Q | 61.4 | Low | 55.8 | Low | 106 Ų | 106 | 134 Ų | 134 | 50% | 0.495 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -73 | -34.5 | 174.7 | -73.3 | 173.8 | 2.9 | 0 | 0 | 112.6 | E392 E398 Q399 E400 | E392-Q396 WeakPolarHBondContact O-CG 3.32Å; E392-Q396 PolarHBondContact O-N 3.29Å; Q396-E398 VanDerWaalsContact C-N 3.25Å; Q396-E398 PolarHBondContact O-N 3.11Å; Q396-Q399 PolarHBondContact O-N 2.96Å; Q396-Q399 VanDerWaalsContact O-N 3.14Å; Q396-E400 PolarHBondContact O-N 2.99Å |
| 397 | K | 59.5 | Low | 55.3 | Low | 162 Ų | 162 | 134.5 Ų | 134.5 | 70% | 0.704 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -68.9 | -22.6 | 177.2 | -164 | 174.3 | -177.6 | -175.1 | 0 | 113.5 | K393 | K393-K397 VanDerWaalsContact O-CB 3.32Å; K393-K397 WeakPolarHBondContact O-CB 3.28Å; K393-K397 PolarHBondContact O-N 3.32Å |
| 398 | E | 56.1 | Low | 54.1 | Low | 156 Ų | 156 | 134.9 Ų | 134.9 | 73% | 0.729 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -83.9 | -21.8 | 174.1 | -147.8 | 166.7 | -160.3 | 0 | 0 | 112 | K394 Q396 | K394-E398 PolarHBondContact O-N 3.3Å; Q396-E398 VanDerWaalsContact C-N 3.25Å; Q396-E398 PolarHBondContact O-N 3.11Å |
| 399 | Q | 55.3 | Low | 53.5 | Low | 151 Ų | 151 | 133.2 Ų | 133.2 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -89.8 | -27.6 | 177.3 | -162.9 | 167.3 | 17.1 | 0 | 0 | 113.2 | K395 Q396 Q401 | K395-Q399 PolarHBondContact O-N 3.32Å; Q396-Q399 PolarHBondContact O-N 2.96Å; Q396-Q399 VanDerWaalsContact O-N 3.14Å; Q399-Q401 VanDerWaalsContact C-N 3.34Å |
| 400 | E | 54.5 | Low | 53.5 | Low | 163 Ų | 163 | 126.4 Ų | 126.4 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -6.4 | 175.8 | -85.3 | -176.7 | 148.5 | 0 | 0 | 114.5 | Q396 A402 | Q396-E400 PolarHBondContact O-N 2.99Å; E400-A402 VanDerWaalsContact C-N 3.29Å |
| 401 | Q | 49 | Very low | 54 | Low | 178 Ų | 178 | 124.6 Ų | 124.6 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 1.2 | 176.1 | -139.2 | 170.7 | 30.4 | 0 | 0 | 113.6 | Q399 | Q399-Q401 VanDerWaalsContact C-N 3.34Š|
| 402 | A | 47.7 | Very low | 55.2 | Low | 84 Ų | 84 | 125.3 Ų | 125.3 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -110.3 | -1.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | E400 | E400-A402 VanDerWaalsContact C-N 3.29Š|
| 403 | V | 40.5 | Very low | 55.8 | Low | 128 Ų | 128 | 127.3 Ų | 127.3 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -131.5 | 97.6 | 177.5 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 404 | G | 34.3 | Very low | 56.4 | Low | 68 Ų | 68 | 122.7 Ų | 122.7 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | -71.2 | 151 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 405 | A | 43 | Very low | 57.5 | Low | 104 Ų | 104 | 119.2 Ų | 119.2 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | trans | 48.4 | 97.3 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 406 | A | 35.6 | Very low | 58.6 | Low | 92 Ų | 92 | 116.6 Ų | 116.6 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | 176.3 | 130.1 | 123.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 407 | S | 47.9 | Very low | 59.8 | Low | 121 Ų | 121 | 118.7 Ų | 118.7 | 85% | 0.846 | 70% | 0.704 | S | S | * | * | trans | 35 | 99.8 | 152.8 | 67.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 408 | S | 41.8 | Very low | 61.1 | Low | 119 Ų | 119 | 116.2 Ų | 116.2 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | trans | -136 | 113.2 | 151.2 | -170.1 | 0 | 0 | 0 | 0 | 108.4 | G410 | S408-G410 PolarHBondContact O-N 3.31Å; S408-G410 VanDerWaalsContact O-N 3.15Å | ||
| 409 | G | 50.6 | Low | 62.4 | Low | 86 Ų | 86 | 115.7 Ų | 115.7 | 89% | 0.887 | 69% | 0.694 | S | S | * | * | trans | -63.5 | 110.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 410 | G | 62.8 | Low | 63.8 | Low | 53 Ų | 53 | 112.4 Ų | 112.4 | 55% | 0.546 | 68% | 0.681 | S | S | . | * | trans | -82.2 | 142.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S408 | S408-G410 PolarHBondContact O-N 3.31Å; S408-G410 VanDerWaalsContact O-N 3.15Å | ||
| 411 | D | 76.3 | Confident | 65 | Low | 124 Ų | 124 | 106.8 Ų | 106.8 | 66% | 0.663 | 66% | 0.662 | S | S | * | * | trans | -45.8 | 144.5 | 173 | -163.7 | 3.2 | 0 | 0 | 0 | 112.8 | M413 S414 D415 | D411-M413 PolarHBondContact O-N 3.33Å; D411-M413 VanDerWaalsContact O-N 3.07Å; D411-S414 PolarHBondContact N-OG 3.5Å; D411-S414 WeakPolarHBondContact O-CA 3.19Å; D411-S414 WeakPolarHBondContact O-CB 3.12Å; D411-S414 PolarHBondContact O-N 2.69Å; D411-S414 PolarHBondContact O-OG 3.04Å; D411-D415 PolarHBondContact O-N 2.94Å | ||
| 412 | F | 82.3 | Confident | 66.4 | Low | 158 Ų | 158 | 105 Ų | 105 | 69% | 0.693 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -55.4 | -34.8 | -170.2 | 176.8 | -102 | 0 | 0 | 0 | 113.2 | S414 D415 L416 | F412-S414 VanDerWaalsContact C-N 3.32Å; F412-S414 PolarHBondContact O-N 3.09Å; F412-D415 PolarHBondContact O-N 2.92Å; F412-L416 WeakPolarHBondContact O-CB 3.27Å; F412-L416 PolarHBondContact O-N 3.09Å |
| 413 | M | 77 | Confident | 68 | Low | 148 Ų | 148 | 110 Ų | 110 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66.6 | -31.5 | 175.8 | -70.4 | 178.7 | 66.3 | 0 | 0 | 113.1 | D411 F417 | D411-M413 PolarHBondContact O-N 3.33Å; D411-M413 VanDerWaalsContact O-N 3.07Å; M413-F417 PolarHBondContact O-N 3.41Å; M413-F417 VanDerWaalsContact O-N 3.1Å |
| 414 | S | 78.8 | Confident | 69.9 | Low | 56 Ų | 56 | 112 Ų | 112 | 39% | 0.392 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -75.4 | -35.9 | 177 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | D411 F412 F417 N418 | D411-S414 PolarHBondContact N-OG 3.5Å; D411-S414 WeakPolarHBondContact O-CA 3.19Å; D411-S414 WeakPolarHBondContact O-CB 3.12Å; D411-S414 PolarHBondContact O-N 2.69Å; D411-S414 PolarHBondContact O-OG 3.04Å; F412-S414 VanDerWaalsContact C-N 3.32Å; F412-S414 PolarHBondContact O-N 3.09Å; S414-F417 PolarHBondContact O-N 3.36Å; S414-N418 PolarHBondContact O-N 2.9Å |
| 415 | D | 87.2 | Confident | 72 | Confident | 85 Ų | 85 | 116.8 Ų | 116.8 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68 | -39.8 | 172.7 | -169.4 | 41 | 0 | 0 | 0 | 111.3 | D411 F412 F417 N418 K419 | D411-D415 PolarHBondContact O-N 2.94Å; F412-D415 PolarHBondContact O-N 2.92Å; D415-F417 PolarHBondContact O-N 2.97Å; D415-N418 PolarHBondContact O-N 3.25Å; D415-K419 WeakPolarHBondContact O-CB 3.41Å; D415-K419 PolarHBondContact O-N 3.05Å |
| 416 | L | 88.4 | Confident | 73.5 | Confident | 107 Ų | 107 | 114.9 Ų | 114.9 | 56% | 0.56 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.9 | -44.7 | 173.5 | -171.2 | 76.7 | 0 | 0 | 0 | 111.7 | F412 K419 L420 | F412-L416 WeakPolarHBondContact O-CB 3.27Å; F412-L416 PolarHBondContact O-N 3.09Å; L416-K419 PolarHBondContact O-N 3.4Å; L416-L420 WeakPolarHBondContact O-CB 2.94Å; L416-L420 PolarHBondContact O-N 3.39Å |
| 417 | F | 86.5 | Confident | 74.9 | Confident | 149 Ų | 149 | 116.6 Ų | 116.6 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.9 | -42.4 | 178.5 | -165.3 | -88.6 | 0 | 0 | 0 | 111.9 | M413 S414 D415 L420 A421 | M413-F417 PolarHBondContact O-N 3.41Å; M413-F417 VanDerWaalsContact O-N 3.1Å; S414-F417 PolarHBondContact O-N 3.36Å; D415-F417 PolarHBondContact O-N 2.97Å; F417-L420 PolarHBondContact O-N 3.42Å; F417-A421 WeakPolarHBondContact O-CB 3.23Å; F417-A421 PolarHBondContact O-N 3.5Å |
| 418 | N | 86.4 | Confident | 75.6 | Confident | 110 Ų | 110 | 114.8 Ų | 114.8 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.1 | -43.1 | 175.5 | -96.5 | -7.6 | 0 | 0 | 0 | 112.3 | S414 D415 A421 M422 | S414-N418 PolarHBondContact O-N 2.9Å; D415-N418 PolarHBondContact O-N 3.25Å; N418-A421 PolarHBondContact O-N 3.04Å; N418-M422 WeakPolarHBondContact O-CG 3.42Å; N418-M422 PolarHBondContact O-N 2.81Å |
| 419 | K | 84.7 | Confident | 76.1 | Confident | 145 Ų | 145 | 112.9 Ų | 112.9 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.1 | -42.7 | 174 | -98.8 | -177.4 | -179.8 | -130.7 | 0 | 112.3 | D415 L416 A421 M422 R423 | D415-K419 WeakPolarHBondContact O-CB 3.41Å; D415-K419 PolarHBondContact O-N 3.05Å; L416-K419 PolarHBondContact O-N 3.4Å; K419-A421 VanDerWaalsContact C-N 3.34Å; K419-M422 PolarHBondContact O-N 2.9Å; K419-R423 WeakPolarHBondContact O-CB 3.45Å; K419-R423 PolarHBondContact O-N 2.79Å |
| 420 | L | 84.7 | Confident | 76.2 | Confident | 83 Ų | 83 | 118 Ų | 118 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.9 | -39.4 | 177.7 | -164.5 | 79.5 | 0 | 0 | 0 | 111.4 | L416 F417 R423 R424 | L416-L420 WeakPolarHBondContact O-CB 2.94Å; L416-L420 PolarHBondContact O-N 3.39Å; F417-L420 PolarHBondContact O-N 3.42Å; L420-R423 PolarHBondContact O-N 2.98Å; L420-R424 WeakPolarHBondContact O-CB 3.16Å; L420-R424 WeakPolarHBondContact O-CG 3.44Å; L420-R424 PolarHBondContact O-N 2.97Å |
| 421 | A | 80.3 | Confident | 75.2 | Confident | 45 Ų | 45 | 118.6 Ų | 118.6 | 37% | 0.372 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.6 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F417 N418 K419 R423 R424 K425 | F417-A421 WeakPolarHBondContact O-CB 3.23Å; F417-A421 PolarHBondContact O-N 3.5Å; N418-A421 PolarHBondContact O-N 3.04Å; K419-A421 VanDerWaalsContact C-N 3.34Å; A421-R423 VanDerWaalsContact C-N 3.34Å; A421-R423 PolarHBondContact O-N 2.95Å; A421-R424 PolarHBondContact O-N 3.46Å; A421-K425 WeakPolarHBondContact O-CB 3.45Å; A421-K425 PolarHBondContact O-N 3.49Å |
| 422 | M | 78.6 | Confident | 73.6 | Confident | 141 Ų | 141 | 119.1 Ų | 119.1 | 70% | 0.695 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.4 | -40.5 | 174.2 | -74.8 | -65.8 | -151.9 | 0 | 0 | 111.9 | N418 K419 K425 G426 | N418-M422 WeakPolarHBondContact O-CG 3.42Å; N418-M422 PolarHBondContact O-N 2.81Å; K419-M422 PolarHBondContact O-N 2.9Å; M422-K425 PolarHBondContact O-N 3.42Å; M422-G426 PolarHBondContact O-N 2.92Å |
| 423 | R | 79.9 | Confident | 71.4 | Confident | 187 Ų | 187 | 117 Ų | 117 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.9 | -44.5 | 175.2 | -168.8 | 179.3 | -175.6 | -172.9 | 1.5 | 111.8 | K419 L420 A421 K425 G426 I427 | K419-R423 WeakPolarHBondContact O-CB 3.45Å; K419-R423 PolarHBondContact O-N 2.79Å; L420-R423 PolarHBondContact O-N 2.98Å; A421-R423 VanDerWaalsContact C-N 3.34Å; A421-R423 PolarHBondContact O-N 2.95Å; R423-K425 PolarHBondContact O-N 3.45Å; R423-G426 PolarHBondContact O-N 2.74Å; R423-G426 VanDerWaalsContact O-N 3.17Å; R423-I427 WeakPolarHBondContact O-CG1 3.42Å; R423-I427 WeakPolarHBondContact O-CG2 3.17Å; R423-I427 PolarHBondContact O-N 3.09Å |
| 424 | R | 79.8 | Confident | 69.2 | Low | 171 Ų | 171 | 113.4 Ų | 113.4 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.4 | -33.9 | 174.6 | -78.6 | -179.6 | 176 | -173.3 | -0.9 | 112.5 | L420 A421 I427 S428 | L420-R424 WeakPolarHBondContact O-CB 3.16Å; L420-R424 WeakPolarHBondContact O-CG 3.44Å; L420-R424 PolarHBondContact O-N 2.97Å; A421-R424 PolarHBondContact O-N 3.46Å; R424-I427 WeakPolarHBondContact O-CG1 3.28Å; R424-S428 PolarHBondContact O-N 3.32Å |
| 425 | K | 80.3 | Confident | 67 | Low | 168 Ų | 168 | 114.2 Ų | 114.2 | 73% | 0.73 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75.4 | -34.6 | 175.6 | -160.9 | 164.3 | -178.4 | 179.7 | 0 | 112.5 | A421 M422 R423 | A421-K425 WeakPolarHBondContact O-CB 3.45Å; A421-K425 PolarHBondContact O-N 3.49Å; M422-K425 PolarHBondContact O-N 3.42Å; R423-K425 PolarHBondContact O-N 3.45Å |
| 426 | G | 73.9 | Confident | 64.4 | Low | 64 Ų | 64 | 118.9 Ų | 118.9 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -73.3 | -30.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | M422 R423 | M422-G426 PolarHBondContact O-N 2.92Å; R423-G426 PolarHBondContact O-N 2.74Å; R423-G426 VanDerWaalsContact O-N 3.17Å |
| 427 | I | 64.8 | Low | 61.9 | Low | 129 Ų | 129 | 119.5 Ų | 119.5 | 66% | 0.662 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -82.9 | -15.3 | 175.6 | 65.2 | -175.4 | 0 | 0 | 0 | 113.1 | R423 R424 G429 | R423-I427 WeakPolarHBondContact O-CG1 3.42Å; R423-I427 WeakPolarHBondContact O-CG2 3.17Å; R423-I427 PolarHBondContact O-N 3.09Å; R424-I427 WeakPolarHBondContact O-CG1 3.28Å; I427-G429 VanDerWaalsContact C-N 3.34Å; I427-G429 PolarHBondContact O-N 3.16Å; I427-G429 VanDerWaalsContact O-N 3.12Å |
| 428 | S | 62 | Low | 59.3 | Low | 82 Ų | 82 | 116.9 Ų | 116.9 | 57% | 0.573 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -84 | 84.2 | 172.5 | -165.9 | 0 | 0 | 0 | 0 | 107.9 | R424 K430 | R424-S428 PolarHBondContact O-N 3.32Å; S428-K430 PolarHBondContact O-N 2.97Å |
| 429 | G | 53.7 | Low | 56.7 | Low | 80 Ų | 80 | 120.1 Ų | 120.1 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | -63.1 | 67.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I427 | I427-G429 VanDerWaalsContact C-N 3.34Å; I427-G429 PolarHBondContact O-N 3.16Å; I427-G429 VanDerWaalsContact O-N 3.12Å | ||
| 430 | K | 52 | Low | 54.5 | Low | 194 Ų | 194 | 120.4 Ų | 120.4 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -123 | 75.7 | 171.5 | -156.6 | 87.6 | 169.1 | -173.6 | 0 | 108.3 | S428 | S428-K430 PolarHBondContact O-N 2.97Š| ||
| 431 | G | 42 | Very low | 52.6 | Low | 65 Ų | 65 | 122.3 Ų | 122.3 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -74 | 157.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 432 | P | 42 | Very low | 50.7 | Low | 135 Ų | 135 | 125.2 Ų | 125.2 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 153.9 | -174.7 | 33.3 | -33.5 | 0 | 0 | 0 | 112.6 | ||
| 433 | A | 37 | Very low | 48.9 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 152.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 434 | G | 30.8 | Very low | 47.2 | Very low | 74 Ų | 74 | 118.6 Ų | 118.6 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | 167.4 | 89.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 435 | G | 32.1 | Very low | 45.9 | Very low | 72 Ų | 72 | 112.9 Ų | 112.9 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | 87.2 | 125.9 | 105.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 436 | E | 33.6 | Very low | 44.9 | Very low | 184 Ų | 184 | 107 Ų | 107 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | cis | -174.7 | 145.2 | 26.8 | 45.4 | -163.8 | 113.4 | 0 | 0 | 110.6 | ||||
| 437 | S | 34.7 | Very low | 44.2 | Very low | 119 Ų | 119 | 107.5 Ų | 107.5 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 55.9 | 115.5 | 153.9 | -64.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 438 | A | 33.1 | Very low | 43.8 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | -174.9 | 129.2 | 98.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 439 | E | 31.3 | Very low | 43.6 | Very low | 178 Ų | 178 | 107.8 Ų | 107.8 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | 47.9 | 105 | 152.3 | -79.3 | 175.3 | 129.7 | 0 | 0 | 124.4 | ||||
| 440 | N | 37.9 | Very low | 44.2 | Very low | 151 Ų | 151 | 112.7 Ų | 112.7 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | 46.4 | 158.9 | 125.5 | -73.1 | -12.9 | 0 | 0 | 0 | 123.8 | |||||
| 441 | P | 45.3 | Very low | 44.5 | Very low | 122 Ų | 122 | 108.2 Ų | 108.2 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | cis | -131.6 | -176.7 | -24.6 | 33.7 | -12.5 | 0 | 0 | 0 | 114.4 | ||||
| 442 | A | 38.9 | Very low | 45.5 | Very low | 106 Ų | 106 | 108.3 Ų | 108.3 | 88% | 0.876 | 72% | 0.718 | S | S | * | * | trans | -62.7 | 151.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 443 | G | 42.3 | Very low | 46.5 | Very low | 71 Ų | 71 | 109 Ų | 109 | 73% | 0.732 | 71% | 0.714 | S | S | * | * | trans | 152.7 | 17.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | G445 | G443-G445 PolarHBondContact O-N 3.11Š| ||
| 444 | S | 44.6 | Very low | 48 | Very low | 119 Ų | 119 | 109.1 Ų | 109.1 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -93.5 | 84.3 | 179.1 | -167.2 | 0 | 0 | 0 | 0 | 112.1 | G446 | S444-G446 PolarHBondContact O-N 3.34Š| ||
| 445 | G | 52.7 | Low | 49.3 | Very low | 50 Ų | 50 | 111.7 Ų | 111.7 | 52% | 0.515 | 70% | 0.699 | S | S | . | * | trans | -66.7 | 110.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108 | G443 | G443-G445 PolarHBondContact O-N 3.11Š| ||
| 446 | G | 59.3 | Low | 50.7 | Low | 45 Ų | 45 | 113.3 Ų | 113.3 | 46% | 0.464 | 70% | 0.696 | S | S | . | * | trans | -55.4 | 142.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S444 F448 A449 | S444-G446 PolarHBondContact O-N 3.34Å; G446-F448 PolarHBondContact O-N 3.14Å; G446-A449 PolarHBondContact O-N 3.08Å | ||
| 447 | A | 57.5 | Low | 52.3 | Low | 75 Ų | 75 | 110.4 Ų | 110.4 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -45.8 | -33 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A449 R450 M451 | A447-A449 VanDerWaalsContact C-N 3.32Å; A447-A449 PolarHBondContact O-N 3.23Å; A447-R450 PolarHBondContact O-N 2.88Å; A447-R450 VanDerWaalsContact O-N 3.11Å; A447-M451 WeakPolarHBondContact O-CG 3.43Å; A447-M451 PolarHBondContact O-N 3.27Å |
| 448 | F | 57.3 | Low | 53.4 | Low | 158 Ų | 158 | 110.4 Ų | 110.4 | 69% | 0.693 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -60.7 | -34.3 | 179.7 | -158.2 | -95.7 | 0 | 0 | 0 | 114.2 | G446 R450 M451 S452 | G446-F448 PolarHBondContact O-N 3.14Å; F448-R450 VanDerWaalsContact C-N 3.32Å; F448-M451 HydrophobicContact CD2-CE 3.38Å; F448-M451 HydrophobicContact CD2-SD 4.2Å; F448-M451 HydrophobicContact CE2-CE 3.54Å; F448-M451 HydrophobicContact CG-CE 4.19Å; F448-M451 HydrophobicContact CZ-CE 4.45Å; F448-M451 PolarHBondContact O-N 3.23Å; F448-S452 PolarHBondContact O-N 3.19Å |
| 449 | A | 57.3 | Low | 54.6 | Low | 58 Ų | 58 | 111.8 Ų | 111.8 | 48% | 0.479 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -74.3 | -23.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G446 A447 S452 | G446-A449 PolarHBondContact O-N 3.08Å; A447-A449 VanDerWaalsContact C-N 3.32Å; A447-A449 PolarHBondContact O-N 3.23Å; A449-S452 PolarHBondContact O-OG 2.99Å |
| 450 | R | 65.5 | Low | 55.6 | Low | 184 Ų | 184 | 107.1 Ų | 107.1 | 69% | 0.694 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -82.6 | -25.3 | 176.9 | -60.6 | -168.6 | -176.5 | -163.7 | 0.4 | 112.6 | A447 F448 | A447-R450 PolarHBondContact O-N 2.88Å; A447-R450 VanDerWaalsContact O-N 3.11Å; F448-R450 VanDerWaalsContact C-N 3.32Å |
| 451 | M | 58.8 | Low | 56.1 | Low | 99 Ų | 99 | 106.1 Ų | 106.1 | 49% | 0.488 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -79.9 | -26.7 | 174.4 | 3.5 | 178.1 | -55.6 | 0 | 0 | 111.9 | A447 F448 | A447-M451 WeakPolarHBondContact O-CG 3.43Å; A447-M451 PolarHBondContact O-N 3.27Å; F448-M451 HydrophobicContact CD2-CE 3.38Å; F448-M451 HydrophobicContact CD2-SD 4.2Å; F448-M451 HydrophobicContact CE2-CE 3.54Å; F448-M451 HydrophobicContact CG-CE 4.19Å; F448-M451 HydrophobicContact CZ-CE 4.45Å; F448-M451 PolarHBondContact O-N 3.23Å |
| 452 | S | 62.8 | Low | 55.9 | Low | 67 Ų | 67 | 109.2 Ų | 109.2 | 47% | 0.469 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -73.3 | -24.8 | 178.2 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | F448 A449 V454 | F448-S452 PolarHBondContact O-N 3.19Å; A449-S452 PolarHBondContact O-OG 2.99Å; S452-V454 VanDerWaalsContact C-N 3.3Å; S452-V454 PolarHBondContact O-N 3.38Å |
| 453 | D | 62.9 | Low | 55.8 | Low | 149 Ų | 149 | 109.9 Ų | 109.9 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -6.5 | 177.9 | -80.9 | -10.8 | 0 | 0 | 0 | 113.6 | ||
| 454 | V | 68.3 | Low | 55.6 | Low | 116 Ų | 116 | 111.6 Ų | 111.6 | 70% | 0.703 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -5.4 | -177.5 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | S452 P456 | S452-V454 VanDerWaalsContact C-N 3.3Å; S452-V454 PolarHBondContact O-N 3.38Å; V454-P456 WeakPolarHBondContact O-CD 3.46Å |
| 455 | I | 58.9 | Low | 55.2 | Low | 128 Ų | 128 | 110.6 Ų | 110.6 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -97.2 | 114 | -179.5 | -59.7 | 171.5 | 0 | 0 | 0 | 109.3 | ||
| 456 | P | 61.5 | Low | 54.5 | Low | 106 Ų | 106 | 114.8 Ų | 114.8 | 69% | 0.688 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -71 | 144.6 | 177.6 | 27.7 | -30.9 | 0 | 0 | 0 | 111 | V454 | V454-P456 WeakPolarHBondContact O-CD 3.46Š|
| 457 | P | 66.7 | Low | 53.6 | Low | 123 Ų | 123 | 119.5 Ų | 119.5 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 141.8 | -179 | 27 | -33.2 | 0 | 0 | 0 | 111.7 | ||
| 458 | P | 57.6 | Low | 53 | Low | 118 Ų | 118 | 123.7 Ų | 123.7 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 150.1 | -177.4 | 28.8 | -34.1 | 0 | 0 | 0 | 113 | ||
| 459 | P | 58.4 | Low | 52.7 | Low | 125 Ų | 125 | 122.4 Ų | 122.4 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 154.4 | 178.1 | 29.4 | -33.6 | 0 | 0 | 0 | 112.7 | ||
| 460 | A | 53.2 | Low | 52.2 | Low | 80 Ų | 80 | 132 Ų | 132 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 148.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 461 | P | 49 | Very low | 50.9 | Low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 133.8 | -172.9 | 29.7 | -33.1 | 0 | 0 | 0 | 112.6 | ||
| 462 | H | 39.6 | Very low | 50.3 | Low | 188 Ų | 188 | 136.2 Ų | 136.2 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 145 | 165 | -66.1 | -63.8 | 0 | 0 | 0 | 110.5 | ||
| 463 | S | 38.1 | Very low | 49.7 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 146 | -170.7 | 43.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 464 | A | 37.5 | Very low | 49 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 132.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 465 | A | 35.6 | Very low | 47.9 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -141.3 | 149.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 466 | D | 38.3 | Very low | 47.2 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 74% | 0.738 | 85% | 0.848 | S | S | * | * | cis | -166 | -170.9 | -10.6 | -168.3 | 0.7 | 0 | 0 | 0 | 102.7 | ||||
| 467 | D | 41.1 | Very low | 46.3 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 77% | 0.765 | 86% | 0.857 | S | S | * | * | trans | 108.8 | 81.7 | 159.8 | -50 | -29.7 | 0 | 0 | 0 | 116.6 | ||||
| 468 | D | 45.4 | Very low | 45 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 87% | 0.872 | 86% | 0.861 | S | S | * | * | trans | -51.3 | 120.5 | 137 | -78.8 | -58 | 0 | 0 | 0 | 111.3 | ||||
| 469 | D | 49.3 | Very low | 44.1 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 71% | 0.706 | 87% | 0.868 | S | S | * | * | trans | -165.4 | 101.1 | 156.5 | -161.1 | 14.1 | 0 | 0 | 0 | 111.8 | ||||
| 470 | W | 47.1 | Very low | 43 | Very low | 259 Ų | 259 | 148.4 Ų | 148.4 | 98% | 0.981 | 87% | 0.873 | S | S | * | * | trans | -158.6 | 79.9 | 155.4 | -76 | 113.6 | 0 | 0 | 0 | 110.7 | ||||
| 471 | E | 39.9 | Very low | 42.1 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 91% | 0.907 | 89% | 0.89 | S | S | * | * | trans | -125.7 | 110.8 | 152.6 | -109.3 | -172.3 | -175.5 | 0 | 0 | 108.8 | ||||
| 472 | A | 44.7 | Very low | 41.5 | Very low | 178 Ų | 178 | 156.4 Ų | 156.4 | 100% | 1.471 | 90% | 0.895 | S | S | * | * | trans | -155 | 0 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 472 of 472 residues in 261.1 ms
(Link to these results)