| 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 | 60.3 | Low | 72.1 | Confident | 82 Ų | 82 | 91.5 Ų | 91.5 | 40% | 0.404 | 47% | 0.471 | S | S | . | . | 0 | -66.6 | 0 | -75.8 | -66.6 | -150.9 | 0 | 0 | 111.6 | R3 I4 V5 I110 P111 P113 L116 | M1-R3 PolarHBondContact O-N 3.39Å; M1-I4 PolarHBondContact O-N 3.06Å; M1-I4 VanDerWaalsContact O-N 3.1Å; M1-V5 PolarHBondContact O-N 3.24Å; M1-I110 HydrophobicContact CE-CG2 4.4Å; M1-P111 HydrophobicContact CE-CB 4.39Å; M1-P111 HydrophobicContact CE-CG 3.82Å; M1-P111 WeakPolarHBondContact CE-O 3.44Å; M1-P113 HydrophobicContact SD-CB 4.46Å; M1-P113 HydrophobicContact SD-CG 4.37Å; M1-L116 HydrophobicContact CE-CD2 4.17Å; M1-L116 HydrophobicContact SD-CD2 3.65Å | |||
| 2 | S | 70.6 | Confident | 72.4 | Confident | 64 Ų | 64 | 88.1 Ų | 88.1 | 45% | 0.448 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -52.5 | -45 | -174.1 | 55.4 | 0 | 0 | 0 | 0 | 115 | I4 V5 L6 | S2-I4 VanDerWaalsContact C-N 3.3Å; S2-I4 PolarHBondContact O-N 3.16Å; S2-V5 PolarHBondContact O-N 3.22Å; S2-L6 WeakPolarHBondContact O-CG 3.29Å; S2-L6 PolarHBondContact O-N 3.19Å |
| 3 | R | 74.8 | Confident | 72.7 | Confident | 201 Ų | 201 | 90.7 Ų | 90.7 | 76% | 0.758 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.5 | -34.7 | -179.4 | -62.4 | -170.7 | 76.5 | 176.1 | 3.3 | 113.9 | M1 Q7 | M1-R3 PolarHBondContact O-N 3.39Å; R3-Q7 WeakPolarHBondContact O-CG 3.39Å; R3-Q7 PolarHBondContact O-N 3.44Å; R3-Q7 VanDerWaalsContact O-N 3.08Å |
| 4 | I | 73.4 | Confident | 72.9 | Confident | 60 Ų | 60 | 90.1 Ų | 90.1 | 31% | 0.308 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.8 | -39.4 | -178.1 | -64.8 | 170.2 | 0 | 0 | 0 | 110 | M1 S2 Q7 K8 P113 L117 | M1-I4 PolarHBondContact O-N 3.06Å; M1-I4 VanDerWaalsContact O-N 3.1Å; S2-I4 VanDerWaalsContact C-N 3.3Å; S2-I4 PolarHBondContact O-N 3.16Å; I4-Q7 PolarHBondContact O-N 3.48Å; I4-K8 PolarHBondContact O-N 3.17Å; I4-P113 HydrophobicContact CD1-CB 3.73Å; I4-P113 HydrophobicContact CD1-CG 4.13Å; I4-L117 HydrophobicContact CG2-CD1 3.62Å; I4-L117 HydrophobicContact CG2-CD2 4.19Å; I4-L117 HydrophobicContact CG2-CG 4.06Å |
| 5 | V | 71.4 | Confident | 73.3 | Confident | 14 Ų | 14 | 95.6 Ų | 95.6 | 9% | 0.085 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | M1 S2 Q7 K8 Y9 I14 L116 L117 I120 | M1-V5 PolarHBondContact O-N 3.24Å; S2-V5 PolarHBondContact O-N 3.22Å; V5-Q7 VanDerWaalsContact C-N 3.27Å; V5-Q7 PolarHBondContact O-N 3.47Å; V5-K8 PolarHBondContact O-N 2.85Å; V5-Y9 PolarHBondContact O-N 3Å; V5-I14 HydrophobicContact CB-CD1 4.22Å; V5-I14 HydrophobicContact CG1-CD1 4.33Å; V5-L116 HydrophobicContact CG2-CD2 4.12Å; V5-L117 HydrophobicContact CG2-CD2 4.44Å; V5-I120 HydrophobicContact CG1-CD1 4.15Å; V5-I120 HydrophobicContact CG2-CD1 4.03Å |
| 6 | L | 75.7 | Confident | 73.8 | Confident | 75 Ų | 75 | 94.8 Ų | 94.8 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -29.4 | 178.7 | -71.9 | 171.5 | 0 | 0 | 0 | 113.4 | S2 Y9 P10 F12 I14 | S2-L6 WeakPolarHBondContact O-CG 3.29Å; S2-L6 PolarHBondContact O-N 3.19Å; L6-Y9 CarbonylContact O-C 3.59Å; L6-P10 WeakPolarHBondContact O-CA 3.36Å; L6-F12 WeakPolarHBondContact CD2-O 3.33Å; L6-I14 HydrophobicContact CD1-CD1 4.24Å; L6-I14 HydrophobicContact CD2-CD1 4.12Å; L6-I14 HydrophobicContact CD2-CG1 4.45Å; L6-I14 HydrophobicContact CG-CD1 3.77Å |
| 7 | Q | 75.4 | Confident | 74.1 | Confident | 159 Ų | 159 | 98.2 Ų | 98.2 | 74% | 0.743 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.8 | -40.3 | 174.8 | -82.2 | 178.2 | -23.6 | 0 | 0 | 112.6 | R3 I4 V5 | R3-Q7 WeakPolarHBondContact O-CG 3.39Å; R3-Q7 PolarHBondContact O-N 3.44Å; R3-Q7 VanDerWaalsContact O-N 3.08Å; I4-Q7 PolarHBondContact O-N 3.48Å; V5-Q7 VanDerWaalsContact C-N 3.27Å; V5-Q7 PolarHBondContact O-N 3.47Å |
| 8 | K | 72.2 | Confident | 74.6 | Confident | 96 Ų | 96 | 99.2 Ų | 99.2 | 42% | 0.417 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -82.5 | -33.2 | -179.8 | -167 | 175.1 | 177.6 | -170.9 | 0 | 112.1 | I4 V5 L117 D121 | I4-K8 PolarHBondContact O-N 3.17Å; V5-K8 PolarHBondContact O-N 2.85Å; K8-L117 HydrophobicContact CB-CD2 4.32Å; K8-L117 HydrophobicContact CD-CD2 4.1Å; K8-D121 IonicContact NZ-OD2 2.73Å |
| 9 | Y | 73.9 | Confident | 74.9 | Confident | 35 Ų | 35 | 97.8 Ų | 97.8 | 14% | 0.137 | 53% | 0.528 | C | S | . | . | trans | -136.7 | 88.3 | -179.8 | -53.3 | -85.6 | 0 | 0 | 0 | 111.4 | V5 L6 S11 F12 I120 D121 V124 | V5-Y9 PolarHBondContact O-N 3Å; L6-Y9 CarbonylContact O-C 3.59Å; Y9-S11 PolarHBondContact O-N 2.84Å; Y9-S11 VanDerWaalsContact O-N 3.12Å; Y9-F12 AromaticContact CD1-CE2 3.8Å; Y9-F12 HydrophobicContact CD1-CE2 3.8Å; Y9-F12 HydrophobicContact CD2-CE2 4.21Å; Y9-F12 AromaticContact CG-CD2 3.9Å; Y9-F12 HydrophobicContact CG-CD2 3.9Å; Y9-F12 AromaticContact CG-CE2 3.54Å; Y9-F12 HydrophobicContact CG-CE2 3.54Å; Y9-F12 PolarHBondContact O-N 3.18Å; Y9-I120 HydrophobicContact CD2-CG2 4.11Å; Y9-I120 HydrophobicContact CE2-CG2 3.68Å; Y9-D121 WeakPolarHBondContact OH-CA 3.41Å; Y9-D121 PolarHBondContact OH-OD1 2.99Å; Y9-D121 VanDerWaalsContact OH-OD1 3.09Å; Y9-V124 HydrophobicContact CE1-CG1 4.44Å; Y9-V124 HydrophobicContact CE1-CG2 4.35Å | ||
| 10 | P | 71.5 | Confident | 75.1 | Confident | 108 Ų | 108 | 97.4 Ų | 97.4 | 70% | 0.701 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.6 | -175 | 25.5 | -34.2 | 0 | 0 | 0 | 114.2 | L6 | L6-P10 WeakPolarHBondContact O-CA 3.36Š|
| 11 | S | 74.5 | Confident | 75.5 | Confident | 112 Ų | 112 | 94.4 Ų | 94.4 | 78% | 0.783 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5 | -178.5 | -50.8 | 0 | 0 | 0 | 0 | 114.6 | Y9 | Y9-S11 PolarHBondContact O-N 2.84Å; Y9-S11 VanDerWaalsContact O-N 3.12Å |
| 12 | F | 75.1 | Confident | 76.5 | Confident | 51 Ų | 51 | 92.9 Ų | 92.9 | 22% | 0.224 | 51% | 0.512 | C | S | . | . | trans | -78.2 | 129.6 | 179.6 | -79.2 | -95.9 | 0 | 0 | 0 | 111.3 | L6 Y9 L96 V124 | L6-F12 WeakPolarHBondContact CD2-O 3.33Å; Y9-F12 AromaticContact CD1-CE2 3.8Å; Y9-F12 HydrophobicContact CD1-CE2 3.8Å; Y9-F12 HydrophobicContact CD2-CE2 4.21Å; Y9-F12 AromaticContact CG-CD2 3.9Å; Y9-F12 HydrophobicContact CG-CD2 3.9Å; Y9-F12 AromaticContact CG-CE2 3.54Å; Y9-F12 HydrophobicContact CG-CE2 3.54Å; Y9-F12 PolarHBondContact O-N 3.18Å; F12-L96 HydrophobicContact CD1-CD1 3.88Å; F12-L96 HydrophobicContact CE1-CD1 3.33Å; F12-L96 HydrophobicContact CE1-CG 4.36Å; F12-L96 HydrophobicContact CZ-CD1 4.21Å; F12-V124 HydrophobicContact CZ-CG2 3.99Å | ||
| 13 | V | 75.9 | Confident | 77.3 | Confident | 122 Ų | 122 | 93 Ų | 93 | 74% | 0.739 | 52% | 0.517 | S | S | * | . | trans | -83.9 | 116.5 | 166 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | E15 | V13-E15 HydrophobicContact CG1-CG 4.11Š| ||
| 14 | I | 76.4 | Confident | 77.8 | Confident | 82 Ų | 82 | 91 Ų | 91 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | trans | -96.6 | 109.7 | 176.5 | -58.4 | 178.6 | 0 | 0 | 0 | 107.4 | V5 L6 | V5-I14 HydrophobicContact CB-CD1 4.22Å; V5-I14 HydrophobicContact CG1-CD1 4.33Å; L6-I14 HydrophobicContact CD1-CD1 4.24Å; L6-I14 HydrophobicContact CD2-CD1 4.12Å; L6-I14 HydrophobicContact CD2-CG1 4.45Å; L6-I14 HydrophobicContact CG-CD1 3.77Å | ||
| 15 | E | 78.7 | Confident | 78.5 | Confident | 173 Ų | 173 | 92.1 Ų | 92.1 | 81% | 0.808 | 51% | 0.51 | S | S | * | . | trans | -97.4 | 130.5 | 169.7 | -62.3 | -172.7 | 175.6 | 0 | 0 | 109 | V13 | V13-E15 HydrophobicContact CG1-CG 4.11Š| ||
| 16 | G | 80.8 | Confident | 79.3 | Confident | 82 Ų | 82 | 92.6 Ų | 92.6 | 85% | 0.845 | 52% | 0.515 | S | S | * | . | trans | -113.3 | 118.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 17 | D | 79.8 | Confident | 80 | Confident | 154 Ų | 154 | 94.7 Ų | 94.7 | 82% | 0.824 | 52% | 0.523 | S | S | * | . | trans | -122.7 | 159.6 | 175.6 | -158.8 | 2.8 | 0 | 0 | 0 | 111.3 | ||||
| 18 | T | 82.2 | Confident | 80.8 | Confident | 115 Ų | 115 | 91 Ų | 91 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 122.4 | 174.2 | -58.1 | 0 | 0 | 0 | 0 | 109.1 | P20 | T18-P20 VanDerWaalsContact O-N 3.15Š|
| 19 | Y | 79.8 | Confident | 81.7 | Confident | 74 Ų | 74 | 86.5 Ų | 86.5 | 29% | 0.29 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 121.3 | -179.3 | -171.1 | -95.6 | 0 | 0 | 0 | 111.2 | T89 A91 E93 L105 | Y19-T89 HydrophobicContact CD1-CG2 4.05Å; Y19-T89 PolarHBondContact O-OG1 3.17Å; Y19-A91 HydrophobicContact CD1-CB 3.37Å; Y19-A91 HydrophobicContact CD2-CB 4.21Å; Y19-A91 HydrophobicContact CE1-CB 3.84Å; Y19-A91 HydrophobicContact CG-CB 3.54Å; Y19-E93 HydrophobicContact CD2-CG 4.06Å; Y19-E93 HydrophobicContact CE2-CG 3.9Å; Y19-E93 WeakPolarHBondContact CE2-OE2 3.31Å; Y19-L105 HydrophobicContact CE1-CD1 4.32Å |
| 20 | P | 80.7 | Confident | 82.5 | Confident | 89 Ų | 89 | 91.5 Ų | 91.5 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 134.7 | -170.7 | 24.7 | -33.8 | 0 | 0 | 0 | 110.9 | T18 | T18-P20 VanDerWaalsContact O-N 3.15Š|
| 21 | P | 81.7 | Confident | 83.5 | Confident | 34 Ų | 34 | 89.9 Ų | 89.9 | 22% | 0.221 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 143.8 | 173.9 | 23.8 | -30.4 | 0 | 0 | 0 | 111 | A23 R25 A26 L87 T89 | P21-A23 PolarHBondContact O-N 3.39Å; P21-R25 HydrophobicContact CB-CB 4.22Å; P21-A26 HydrophobicContact CG-CB 4.17Å; P21-L87 HydrophobicContact CB-CD2 4.49Å; P21-L87 HydrophobicContact CG-CD2 3.75Å; P21-T89 HydrophobicContact CB-CG2 3.94Å |
| 22 | P | 82.2 | Confident | 84.4 | Confident | 50 Ų | 50 | 87.3 Ų | 87.3 | 33% | 0.325 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 140.4 | 169.9 | -27.1 | 32.8 | 0 | 0 | 0 | 110.7 | W24 R25 A26 | P22-W24 HydrophobicContact CB-CG 4.5Å; P22-W24 PolarHBondContact O-N 3.09Å; P22-R25 HydrophobicContact CB-CG 4.45Å; P22-R25 WeakPolarHBondContact O-CA 3.3Å; P22-R25 WeakPolarHBondContact O-CB 3.42Å; P22-R25 PolarHBondContact O-N 3.45Å; P22-A26 PolarHBondContact O-N 3.46Å; P22-A26 VanDerWaalsContact O-N 3.09Å |
| 23 | A | 86.3 | Confident | 85.3 | Confident | 67 Ų | 67 | 88.4 Ų | 88.4 | 55% | 0.554 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -49.1 | -41.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P21 R25 A26 H27 | P21-A23 PolarHBondContact O-N 3.39Å; A23-R25 PolarHBondContact O-N 3.07Å; A23-A26 PolarHBondContact O-N 3.47Å; A23-H27 WeakPolarHBondContact O-CB 3.36Å; A23-H27 PolarHBondContact O-CD2 3.04Å; A23-H27 PolarHBondContact O-N 3.01Å |
| 24 | W | 86.3 | Confident | 86.1 | Confident | 160 Ų | 160 | 89.9 Ų | 89.9 | 61% | 0.606 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.8 | -38.4 | 177.8 | 74.3 | -94.9 | 0 | 0 | 0 | 113.6 | P22 L28 | P22-W24 HydrophobicContact CB-CG 4.5Å; P22-W24 PolarHBondContact O-N 3.09Å; W24-L28 HydrophobicContact CZ3-CD2 4.37Å; W24-L28 WeakPolarHBondContact O-CB 3.48Å; W24-L28 PolarHBondContact O-N 3.32Å |
| 25 | R | 87.8 | Confident | 87 | Confident | 82 Ų | 82 | 90.4 Ų | 90.4 | 31% | 0.309 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 175.7 | -65.8 | -167.2 | -174.8 | 163.5 | 0.5 | 110.9 | P21 P22 A23 L28 A29 L86 | P21-R25 HydrophobicContact CB-CB 4.22Å; P22-R25 HydrophobicContact CB-CG 4.45Å; P22-R25 WeakPolarHBondContact O-CA 3.3Å; P22-R25 WeakPolarHBondContact O-CB 3.42Å; P22-R25 PolarHBondContact O-N 3.45Å; A23-R25 PolarHBondContact O-N 3.07Å; R25-L28 PolarHBondContact O-N 2.9Å; R25-A29 WeakPolarHBondContact O-CB 3.36Å; R25-A29 PolarHBondContact O-N 3.36Å; R25-L86 WeakPolarHBondContact CD-O 3.43Å |
| 26 | A | 88.8 | Confident | 87.6 | Confident | 24 Ų | 24 | 82.6 Ų | 82.6 | 20% | 0.198 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P21 P22 A23 A29 K30 | P21-A26 HydrophobicContact CG-CB 4.17Å; P22-A26 PolarHBondContact O-N 3.46Å; P22-A26 VanDerWaalsContact O-N 3.09Å; A23-A26 PolarHBondContact O-N 3.47Å; A26-A29 PolarHBondContact O-N 3.31Å; A26-K30 WeakPolarHBondContact O-CG 3.44Å; A26-K30 PolarHBondContact O-N 3.21Å |
| 27 | H | 90.8 | Very high | 88.2 | Confident | 120 Ų | 120 | 84.3 Ų | 84.3 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.2 | -46 | 174.6 | -72.5 | -59.5 | 0 | 0 | 0 | 111.4 | A23 A29 K30 S31 | A23-H27 WeakPolarHBondContact O-CB 3.36Å; A23-H27 PolarHBondContact O-CD2 3.04Å; A23-H27 PolarHBondContact O-N 3.01Å; H27-A29 PolarHBondContact O-N 3.29Å; H27-K30 PolarHBondContact O-N 3.25Å; H27-S31 PolarHBondContact O-N 3.36Å; H27-S31 PolarHBondContact O-OG 2.96Å |
| 28 | L | 91.1 | Very high | 88.9 | Confident | 80 Ų | 80 | 78.7 Ų | 78.7 | 42% | 0.419 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.9 | -174.7 | 62.8 | 0 | 0 | 0 | 112 | W24 R25 K30 S31 L32 L86 | W24-L28 HydrophobicContact CZ3-CD2 4.37Å; W24-L28 WeakPolarHBondContact O-CB 3.48Å; W24-L28 PolarHBondContact O-N 3.32Å; R25-L28 PolarHBondContact O-N 2.9Å; L28-K30 PolarHBondContact O-N 2.91Å; L28-S31 PolarHBondContact O-N 3.06Å; L28-L32 HydrophobicContact CG-CD1 4.42Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.86Å; L28-L86 HydrophobicContact CB-CD2 3.9Å; L28-L86 HydrophobicContact CD2-CD2 3.56Å; L28-L86 HydrophobicContact CG-CD2 3.56Å |
| 29 | A | 90.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 76 Ų | 76 | 2% | 0.017 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.8 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R25 A26 H27 L32 Q33 E83 L86 L87 | R25-A29 WeakPolarHBondContact O-CB 3.36Å; R25-A29 PolarHBondContact O-N 3.36Å; A26-A29 PolarHBondContact O-N 3.31Å; H27-A29 PolarHBondContact O-N 3.29Å; A29-L32 PolarHBondContact O-N 2.83Å; A29-Q33 WeakPolarHBondContact O-CB 3.23Å; A29-Q33 PolarHBondContact O-N 3.18Å; A29-E83 HydrophobicContact CB-CG 4.35Å; A29-L86 HydrophobicContact CB-CB 4.24Å; A29-L86 HydrophobicContact CB-CD2 4.35Å; A29-L87 HydrophobicContact CB-CD2 3.77Å; A29-L87 HydrophobicContact CB-CG 3.99Å |
| 30 | K | 91.4 | Very high | 89.8 | Confident | 140 Ų | 140 | 74 Ų | 74 | 61% | 0.609 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 174.4 | -73.7 | 177 | -179 | -179.4 | 0 | 112.3 | A26 H27 L28 Q33 F34 | A26-K30 WeakPolarHBondContact O-CG 3.44Å; A26-K30 PolarHBondContact O-N 3.21Å; H27-K30 PolarHBondContact O-N 3.25Å; L28-K30 PolarHBondContact O-N 2.91Å; K30-Q33 WeakPolarHBondContact O-CB 3.32Å; K30-Q33 PolarHBondContact O-N 2.79Å; K30-F34 PolarHBondContact O-N 3.45Å |
| 31 | S | 93.3 | Very high | 90.4 | Very high | 74 Ų | 74 | 74.4 Ų | 74.4 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.2 | -64.1 | 0 | 0 | 0 | 0 | 112 | H27 L28 Q33 F34 L35 | H27-S31 PolarHBondContact O-N 3.36Å; H27-S31 PolarHBondContact O-OG 2.96Å; L28-S31 PolarHBondContact O-N 3.06Å; S31-Q33 VanDerWaalsContact C-N 3.34Å; S31-F34 PolarHBondContact O-N 2.95Å; S31-L35 WeakPolarHBondContact O-CB 3.43Å; S31-L35 PolarHBondContact O-N 3.25Å |
| 32 | L | 93.5 | Very high | 90.7 | Very high | 58 Ų | 58 | 75.7 Ų | 75.7 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 174.7 | -74.2 | 173.9 | 0 | 0 | 0 | 111.9 | L28 A29 L35 K36 I82 L86 | L28-L32 HydrophobicContact CG-CD1 4.42Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.86Å; A29-L32 PolarHBondContact O-N 2.83Å; L32-L35 PolarHBondContact O-N 3.33Å; L32-K36 WeakPolarHBondContact O-CB 3.22Å; L32-K36 PolarHBondContact O-N 3.41Å; L32-I82 HydrophobicContact CD1-CG2 3.8Å; L32-L86 HydrophobicContact CD1-CD2 3.74Å |
| 33 | Q | 92.7 | Very high | 91 | Very high | 75 Ų | 75 | 73.7 Ų | 73.7 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 176.2 | -173.9 | -178.6 | 81.6 | 0 | 0 | 111.1 | A29 K30 S31 K36 Y37 E83 | A29-Q33 WeakPolarHBondContact O-CB 3.23Å; A29-Q33 PolarHBondContact O-N 3.18Å; K30-Q33 WeakPolarHBondContact O-CB 3.32Å; K30-Q33 PolarHBondContact O-N 2.79Å; S31-Q33 VanDerWaalsContact C-N 3.34Å; Q33-K36 WeakPolarHBondContact O-CB 3.49Å; Q33-K36 PolarHBondContact O-N 3.45Å; Q33-Y37 HydrophobicContact CG-CD2 3.91Å; Q33-Y37 HydrophobicContact CG-CE2 3.54Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.42Å; Q33-Y37 PolarHBondContact O-N 3.22Å; Q33-Y37 VanDerWaalsContact O-N 3.12Å; Q33-E83 PolarHBondContact NE2-OE1 3.34Å |
| 34 | F | 94.3 | Very high | 91.2 | Very high | 153 Ų | 153 | 74.5 Ų | 74.5 | 67% | 0.671 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.1 | -49.7 | 175 | -177.2 | -98.8 | 0 | 0 | 0 | 111.3 | K30 S31 K36 Y37 S38 | K30-F34 PolarHBondContact O-N 3.45Å; S31-F34 PolarHBondContact O-N 2.95Å; F34-K36 PolarHBondContact O-N 2.93Å; F34-Y37 PolarHBondContact O-N 2.91Å; F34-S38 PolarHBondContact O-N 3.03Å; F34-S38 PolarHBondContact O-OG 3.1Å; F34-S38 VanDerWaalsContact O-OG 3.09Å |
| 35 | L | 93.8 | Very high | 91.3 | Very high | 93 Ų | 93 | 74.4 Ų | 74.4 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 178.5 | -179.6 | 63.4 | 0 | 0 | 0 | 112.4 | S31 L32 Y37 S38 I39 | S31-L35 WeakPolarHBondContact O-CB 3.43Å; S31-L35 PolarHBondContact O-N 3.25Å; L32-L35 PolarHBondContact O-N 3.33Å; L35-Y37 PolarHBondContact O-N 3.3Å; L35-S38 WeakPolarHBondContact O-CB 3.33Å; L35-S38 PolarHBondContact O-N 3.22Å; L35-I39 HydrophobicContact CD1-CD1 4.11Å; L35-I39 HydrophobicContact CD1-CG1 4.32Å; L35-I39 HydrophobicContact CG-CD1 3.92Å; L35-I39 VanDerWaalsContact O-CG1 3.32Å; L35-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 PolarHBondContact O-N 3.37Å |
| 36 | K | 92.2 | Very high | 91.1 | Very high | 9 Ų | 9 | 71.9 Ų | 71.9 | 4% | 0.039 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -54.6 | -50.6 | 175.8 | 175.4 | -176.3 | 75.2 | -172.4 | 0 | 110.7 | L32 Q33 F34 I39 I40 T75 F76 N80 E83 | L32-K36 WeakPolarHBondContact O-CB 3.22Å; L32-K36 PolarHBondContact O-N 3.41Å; Q33-K36 WeakPolarHBondContact O-CB 3.49Å; Q33-K36 PolarHBondContact O-N 3.45Å; F34-K36 PolarHBondContact O-N 2.93Å; K36-I39 PolarHBondContact O-N 3.01Å; K36-I40 HydrophobicContact CG-CD1 4.06Å; K36-I40 VanDerWaalsContact O-CG1 3.28Å; K36-I40 WeakPolarHBondContact O-CG1 3.32Å; K36-I40 PolarHBondContact O-N 3.36Å; K36-T75 HydrophobicContact CG-CG2 4.48Å; K36-F76 HydrophobicContact CD-CD2 4.47Å; K36-N80 PolarHBondContact NZ-OD1 2.93Å; K36-E83 IonicContact NZ-OE2 3.8Å; K36-E83 PolarHBondContact NZ-OE2 3.3Å |
| 37 | Y | 93.6 | Very high | 90.8 | Very high | 117 Ų | 117 | 75.2 Ų | 75.2 | 46% | 0.459 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.9 | -36.5 | 178.7 | -71.9 | -59.5 | 0 | 0 | 0 | 112.7 | Q33 F34 L35 I40 L41 | Q33-Y37 HydrophobicContact CG-CD2 3.91Å; Q33-Y37 HydrophobicContact CG-CE2 3.54Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.42Å; Q33-Y37 PolarHBondContact O-N 3.22Å; Q33-Y37 VanDerWaalsContact O-N 3.12Å; F34-Y37 PolarHBondContact O-N 2.91Å; L35-Y37 PolarHBondContact O-N 3.3Å; Y37-I40 PolarHBondContact O-N 3.4Å; Y37-L41 VanDerWaalsContact O-CB 3.28Å; Y37-L41 WeakPolarHBondContact O-CB 3.35Å; Y37-L41 PolarHBondContact O-N 3.46Å |
| 38 | S | 93 | Very high | 90.4 | Very high | 37 Ų | 37 | 71.7 Ų | 71.7 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 172.9 | -58.8 | 0 | 0 | 0 | 0 | 112 | F34 L35 L41 M42 | F34-S38 PolarHBondContact O-N 3.03Å; F34-S38 PolarHBondContact O-OG 3.1Å; F34-S38 VanDerWaalsContact O-OG 3.09Å; L35-S38 WeakPolarHBondContact O-CB 3.33Å; L35-S38 PolarHBondContact O-N 3.22Å; S38-L41 PolarHBondContact O-N 2.92Å; S38-M42 WeakPolarHBondContact O-CB 3.3Å; S38-M42 VanDerWaalsContact O-CG 3.22Å; S38-M42 WeakPolarHBondContact O-CG 3.36Å; S38-M42 PolarHBondContact O-N 2.92Å |
| 39 | I | 90.2 | Very high | 89.8 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 30% | 0.303 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 178.5 | -67.8 | 166.1 | 0 | 0 | 0 | 111.1 | L35 K36 L41 M42 T43 F71 T75 | L35-I39 HydrophobicContact CD1-CD1 4.11Å; L35-I39 HydrophobicContact CD1-CG1 4.32Å; L35-I39 HydrophobicContact CG-CD1 3.92Å; L35-I39 VanDerWaalsContact O-CG1 3.32Å; L35-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 PolarHBondContact O-N 3.37Å; K36-I39 PolarHBondContact O-N 3.01Å; I39-L41 VanDerWaalsContact C-N 3.35Å; I39-M42 PolarHBondContact O-N 3.47Å; I39-T43 WeakPolarHBondContact O-CB 3.33Å; I39-T43 PolarHBondContact O-N 3.49Å; I39-T43 PolarHBondContact O-OG1 3.45Å; I39-F71 HydrophobicContact CG2-CE1 4Å; I39-T75 HydrophobicContact CB-CG2 4.48Å; I39-T75 HydrophobicContact CG2-CG2 4.08Å |
| 40 | I | 91.9 | Very high | 89.4 | Confident | 31 Ų | 31 | 74.4 Ų | 74.4 | 16% | 0.159 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.5 | -69.6 | 167.6 | 0 | 0 | 0 | 109.8 | K36 Y37 M42 T43 V44 C72 T75 F76 | K36-I40 HydrophobicContact CG-CD1 4.06Å; K36-I40 VanDerWaalsContact O-CG1 3.28Å; K36-I40 WeakPolarHBondContact O-CG1 3.32Å; K36-I40 PolarHBondContact O-N 3.36Å; Y37-I40 PolarHBondContact O-N 3.4Å; I40-M42 PolarHBondContact O-N 3.42Å; I40-T43 PolarHBondContact O-N 3.47Å; I40-V44 HydrophobicContact CG2-CG2 4.31Å; I40-V44 VanDerWaalsContact O-CG2 3.28Å; I40-V44 WeakPolarHBondContact O-CG2 3.14Å; I40-V44 PolarHBondContact O-N 3.28Å; I40-C72 HydrophobicContact CG2-CB 4.33Å; I40-T75 HydrophobicContact CG1-CG2 4.18Å; I40-F76 HydrophobicContact CD1-CB 4.09Å; I40-F76 HydrophobicContact CD1-CD2 4.49Å |
| 41 | L | 92.4 | Very high | 88.8 | Confident | 98 Ų | 98 | 69.9 Ų | 69.9 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | -179.7 | -167.3 | 65.9 | 0 | 0 | 0 | 111.8 | Y37 S38 I39 T43 V44 F45 | Y37-L41 VanDerWaalsContact O-CB 3.28Å; Y37-L41 WeakPolarHBondContact O-CB 3.35Å; Y37-L41 PolarHBondContact O-N 3.46Å; S38-L41 PolarHBondContact O-N 2.92Å; I39-L41 VanDerWaalsContact C-N 3.35Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 2.99Å; L41-V44 PolarHBondContact O-N 2.89Å; L41-F45 HydrophobicContact CD1-CD2 3.92Å; L41-F45 HydrophobicContact CD1-CE2 3.33Å; L41-F45 HydrophobicContact CD1-CZ 4.2Å; L41-F45 HydrophobicContact CD2-CE2 4.22Å; L41-F45 HydrophobicContact CG-CD2 3.79Å; L41-F45 HydrophobicContact CG-CE2 3.55Å; L41-F45 WeakPolarHBondContact O-CD2 3.28Å; L41-F45 PolarHBondContact O-N 2.83Å |
| 42 | M | 88.8 | Confident | 88.2 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 30% | 0.3 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 175.8 | -69.2 | 170.6 | 77.9 | 0 | 0 | 112 | S38 I39 I40 G46 F47 L49 | S38-M42 WeakPolarHBondContact O-CB 3.3Å; S38-M42 VanDerWaalsContact O-CG 3.22Å; S38-M42 WeakPolarHBondContact O-CG 3.36Å; S38-M42 PolarHBondContact O-N 2.92Å; I39-M42 PolarHBondContact O-N 3.47Å; I40-M42 PolarHBondContact O-N 3.42Å; M42-G46 PolarHBondContact O-N 2.92Å; M42-F47 HydrophobicContact CE-CD1 3.58Å; M42-F47 HydrophobicContact CE-CE1 3.98Å; M42-F47 PolarHBondContact O-N 3.27Å; M42-L49 HydrophobicContact CE-CB 3.72Å; M42-L49 HydrophobicContact CE-CD1 3.95Å; M42-L49 HydrophobicContact CE-CD2 4.12Å; M42-L49 HydrophobicContact CE-CG 4.14Å |
| 43 | T | 89.1 | Confident | 87.8 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 5% | 0.049 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 178.3 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | I39 I40 L41 G46 A64 K68 F71 | I39-T43 WeakPolarHBondContact O-CB 3.33Å; I39-T43 PolarHBondContact O-N 3.49Å; I39-T43 PolarHBondContact O-OG1 3.45Å; I40-T43 PolarHBondContact O-N 3.47Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 2.99Å; T43-G46 PolarHBondContact O-N 2.86Å; T43-G46 VanDerWaalsContact O-N 3.1Å; T43-A64 HydrophobicContact CG2-CB 4.1Å; T43-K68 HydrophobicContact CG2-CB 4.38Å; T43-K68 HydrophobicContact CG2-CG 4.44Å; T43-F71 HydrophobicContact CG2-CD1 3.87Å |
| 44 | V | 89.2 | Confident | 87.3 | Confident | 84 Ų | 84 | 76.8 Ų | 76.8 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 178.2 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | I40 L41 G46 K68 | I40-V44 HydrophobicContact CG2-CG2 4.31Å; I40-V44 VanDerWaalsContact O-CG2 3.28Å; I40-V44 WeakPolarHBondContact O-CG2 3.14Å; I40-V44 PolarHBondContact O-N 3.28Å; L41-V44 PolarHBondContact O-N 2.89Å; V44-G46 PolarHBondContact O-N 3.47Å; V44-K68 PolarHBondContact O-NZ 3.13Å |
| 45 | F | 88.9 | Confident | 86.7 | Confident | 158 Ų | 158 | 77.1 Ų | 77.1 | 69% | 0.693 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.8 | -12.2 | 175.8 | -71.6 | -61.1 | 0 | 0 | 0 | 113.9 | L41 F47 | L41-F45 HydrophobicContact CD1-CD2 3.92Å; L41-F45 HydrophobicContact CD1-CE2 3.33Å; L41-F45 HydrophobicContact CD1-CZ 4.2Å; L41-F45 HydrophobicContact CD2-CE2 4.22Å; L41-F45 HydrophobicContact CG-CD2 3.79Å; L41-F45 HydrophobicContact CG-CE2 3.55Å; L41-F45 WeakPolarHBondContact O-CD2 3.28Å; L41-F45 PolarHBondContact O-N 2.83Å; F45-F47 VanDerWaalsContact C-N 3.33Å |
| 46 | G | 83.6 | Confident | 86.2 | Confident | 28 Ų | 28 | 78.2 Ų | 78.2 | 29% | 0.289 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 27.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M42 T43 V44 D48 | M42-G46 PolarHBondContact O-N 2.92Å; T43-G46 PolarHBondContact O-N 2.86Å; T43-G46 VanDerWaalsContact O-N 3.1Å; V44-G46 PolarHBondContact O-N 3.47Å; G46-D48 PolarHBondContact O-N 3.44Å |
| 47 | F | 82.7 | Confident | 85.7 | Confident | 95 Ų | 95 | 80.1 Ų | 80.1 | 42% | 0.417 | 43% | 0.426 | S | S | . | . | trans | -79.4 | 107.7 | 178.8 | -174.3 | -97.1 | 0 | 0 | 0 | 110 | M42 F45 L49 Y52 | M42-F47 HydrophobicContact CE-CD1 3.58Å; M42-F47 HydrophobicContact CE-CE1 3.98Å; M42-F47 PolarHBondContact O-N 3.27Å; F45-F47 VanDerWaalsContact C-N 3.33Å; F47-L49 HydrophobicContact CD1-CB 4.4Å; F47-L49 HydrophobicContact CE1-CB 4.18Å; F47-L49 HydrophobicContact CE1-CD1 3.74Å; F47-L49 PolarHBondContact O-N 3.35Å; F47-Y52 HydrophobicContact CZ-CG 4.37Å | ||
| 48 | D | 81.4 | Confident | 85.3 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | trans | -84.1 | 94.3 | 173.4 | -172.6 | 1.2 | 0 | 0 | 0 | 110.5 | G46 F50 G51 Y52 T57 | G46-D48 PolarHBondContact O-N 3.44Å; D48-F50 PolarHBondContact O-N 2.97Å; D48-F50 PolarHBondContact OD1-N 2.87Å; D48-G51 PolarHBondContact O-N 3.09Å; D48-G51 PolarHBondContact OD1-N 3.39Å; D48-Y52 PolarHBondContact O-N 3.42Å; D48-T57 WeakPolarHBondContact OD2-CG2 3.28Å; D48-T57 PolarHBondContact OD2-OG1 2.98Å | ||
| 49 | L | 78.6 | Confident | 84.9 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.6 | -34.8 | 176.5 | -171.9 | 73.6 | 0 | 0 | 0 | 112.1 | M42 F47 Y52 L53 | M42-L49 HydrophobicContact CE-CB 3.72Å; M42-L49 HydrophobicContact CE-CD1 3.95Å; M42-L49 HydrophobicContact CE-CD2 4.12Å; M42-L49 HydrophobicContact CE-CG 4.14Å; F47-L49 HydrophobicContact CD1-CB 4.4Å; F47-L49 HydrophobicContact CE1-CB 4.18Å; F47-L49 HydrophobicContact CE1-CD1 3.74Å; F47-L49 PolarHBondContact O-N 3.35Å; L49-Y52 PolarHBondContact O-N 3.5Å; L49-L53 HydrophobicContact CG-CD1 4.11Å; L49-L53 WeakPolarHBondContact O-CG 3.48Å; L49-L53 PolarHBondContact O-N 2.9Å; L49-L53 VanDerWaalsContact O-N 3.09Å |
| 50 | F | 82.4 | Confident | 84.6 | Confident | 67 Ų | 67 | 84.2 Ų | 84.2 | 29% | 0.294 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74 | -41.8 | -177.3 | -68.9 | -91.8 | 0 | 0 | 0 | 110.9 | D48 Y52 L53 G54 Y55 P58 F60 V61 | D48-F50 PolarHBondContact O-N 2.97Å; D48-F50 PolarHBondContact OD1-N 2.87Å; F50-Y52 VanDerWaalsContact C-N 3.31Å; F50-Y52 PolarHBondContact O-N 3.37Å; F50-L53 PolarHBondContact O-N 2.94Å; F50-G54 PolarHBondContact O-N 3.34Å; F50-G54 VanDerWaalsContact O-N 3.16Å; F50-Y55 PolarHBondContact O-N 3.27Å; F50-P58 HydrophobicContact CD1-CG 4.05Å; F50-P58 HydrophobicContact CD2-CG 4.17Å; F50-P58 HydrophobicContact CE1-CG 4Å; F50-P58 HydrophobicContact CE2-CG 4.11Å; F50-P58 HydrophobicContact CG-CG 4.13Å; F50-P58 HydrophobicContact CZ-CG 4.03Å; F50-F60 HydrophobicContact CE2-CE2 4.27Å; F50-F60 AromaticContact CE2-CZ 3.92Å; F50-F60 HydrophobicContact CE2-CZ 3.92Å; F50-F60 AromaticContact CZ-CZ 3.77Å; F50-F60 HydrophobicContact CZ-CZ 3.77Å; F50-V61 HydrophobicContact CD2-CB 4.43Å; F50-V61 HydrophobicContact CD2-CG1 4.41Å; F50-V61 HydrophobicContact CD2-CG2 3.54Å; F50-V61 HydrophobicContact CE2-CG2 3.5Å |
| 51 | G | 79 | Confident | 84.2 | Confident | 44 Ų | 44 | 83.3 Ų | 83.3 | 45% | 0.454 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D48 L53 G54 | D48-G51 PolarHBondContact O-N 3.09Å; D48-G51 PolarHBondContact OD1-N 3.39Å; G51-L53 VanDerWaalsContact C-N 3.35Å; G51-L53 PolarHBondContact O-N 3.03Å; G51-G54 PolarHBondContact O-N 3.46Å |
| 52 | Y | 80.4 | Confident | 83.9 | Confident | 184 Ų | 184 | 80.5 Ų | 80.5 | 72% | 0.722 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.3 | -34.5 | 177 | -175.2 | -101 | 0 | 0 | 0 | 113.3 | F47 D48 L49 F50 G54 | F47-Y52 HydrophobicContact CZ-CG 4.37Å; D48-Y52 PolarHBondContact O-N 3.42Å; L49-Y52 PolarHBondContact O-N 3.5Å; F50-Y52 VanDerWaalsContact C-N 3.31Å; F50-Y52 PolarHBondContact O-N 3.37Å; Y52-G54 VanDerWaalsContact C-N 3.28Å; Y52-G54 PolarHBondContact O-N 3.47Å |
| 53 | L | 84.9 | Confident | 83.8 | Confident | 100 Ų | 100 | 82.7 Ų | 82.7 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -0.6 | 177.5 | -68.2 | 170.4 | 0 | 0 | 0 | 113.6 | L49 F50 G51 Y55 | L49-L53 HydrophobicContact CG-CD1 4.11Å; L49-L53 WeakPolarHBondContact O-CG 3.48Å; L49-L53 PolarHBondContact O-N 2.9Å; L49-L53 VanDerWaalsContact O-N 3.09Å; F50-L53 PolarHBondContact O-N 2.94Å; G51-L53 VanDerWaalsContact C-N 3.35Å; G51-L53 PolarHBondContact O-N 3.03Å; L53-Y55 VanDerWaalsContact C-N 3.25Å; L53-Y55 HydrophobicContact CB-CD2 3.71Å; L53-Y55 HydrophobicContact CB-CE2 4.19Å; L53-Y55 PolarHBondContact O-N 2.87Å |
| 54 | G | 82.2 | Confident | 83.7 | Confident | 68 Ų | 68 | 82.4 Ų | 82.4 | 70% | 0.701 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 13.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F50 G51 Y52 | F50-G54 PolarHBondContact O-N 3.34Å; F50-G54 VanDerWaalsContact O-N 3.16Å; G51-G54 PolarHBondContact O-N 3.46Å; Y52-G54 VanDerWaalsContact C-N 3.28Å; Y52-G54 PolarHBondContact O-N 3.47Å |
| 55 | Y | 82.9 | Confident | 83.5 | Confident | 160 Ų | 160 | 80.9 Ų | 80.9 | 63% | 0.627 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -88.4 | 149.6 | 174.6 | -72.6 | -74.2 | 0 | 0 | 0 | 110.6 | F50 L53 T57 | F50-Y55 PolarHBondContact O-N 3.27Å; L53-Y55 VanDerWaalsContact C-N 3.25Å; L53-Y55 HydrophobicContact CB-CD2 3.71Å; L53-Y55 HydrophobicContact CB-CE2 4.19Å; L53-Y55 PolarHBondContact O-N 2.87Å; Y55-T57 PolarHBondContact O-N 3.38Å |
| 56 | P | 82.8 | Confident | 83.5 | Confident | 116 Ų | 116 | 80.5 Ų | 80.5 | 75% | 0.753 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 124.6 | 172.8 | 25 | -33.2 | 0 | 0 | 0 | 109.6 | P58 | P56-P58 VanDerWaalsContact O-CD 3.29Å; P56-P58 WeakPolarHBondContact O-CD 3.2Å; P56-P58 VanDerWaalsContact O-N 3.13Å |
| 57 | T | 81.8 | Confident | 83.9 | Confident | 50 Ų | 50 | 82.7 Ų | 82.7 | 31% | 0.307 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 116.4 | -180 | -52.3 | 0 | 0 | 0 | 0 | 109.2 | D48 Y55 V61 | D48-T57 WeakPolarHBondContact OD2-CG2 3.28Å; D48-T57 PolarHBondContact OD2-OG1 2.98Å; Y55-T57 PolarHBondContact O-N 3.38Å; T57-V61 HydrophobicContact CG2-CB 3.64Å; T57-V61 HydrophobicContact CG2-CG1 3.57Å |
| 58 | P | 84.9 | Confident | 84.2 | Confident | 34 Ų | 34 | 82.1 Ų | 82.1 | 22% | 0.221 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 152.9 | -177.2 | 28.6 | -33.9 | 0 | 0 | 0 | 110.8 | F50 P56 F60 V61 S62 | F50-P58 HydrophobicContact CD1-CG 4.05Å; F50-P58 HydrophobicContact CD2-CG 4.17Å; F50-P58 HydrophobicContact CE1-CG 4Å; F50-P58 HydrophobicContact CE2-CG 4.11Å; F50-P58 HydrophobicContact CG-CG 4.13Å; F50-P58 HydrophobicContact CZ-CG 4.03Å; P56-P58 VanDerWaalsContact O-CD 3.29Å; P56-P58 WeakPolarHBondContact O-CD 3.2Å; P56-P58 VanDerWaalsContact O-N 3.13Å; P58-F60 HydrophobicContact CB-CD1 3.68Å; P58-F60 HydrophobicContact CB-CE1 3.4Å; P58-F60 VanDerWaalsContact CB-CE1 3.4Å; P58-F60 HydrophobicContact CB-CZ 4.26Å; P58-F60 HydrophobicContact CG-CD1 3.77Å; P58-F60 HydrophobicContact CG-CE1 3.16Å; P58-F60 HydrophobicContact CG-CE2 4.36Å; P58-F60 HydrophobicContact CG-CZ 3.5Å; P58-F60 PolarHBondContact O-N 2.89Å; P58-V61 HydrophobicContact CG-CB 4.28Å; P58-V61 HydrophobicContact CG-CG2 3.7Å; P58-V61 PolarHBondContact O-N 3.28Å; P58-S62 PolarHBondContact O-N 2.82Å |
| 59 | N | 85.6 | Confident | 84.7 | Confident | 147 Ų | 147 | 85.8 Ų | 85.8 | 79% | 0.786 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -51.3 | -35.1 | -173.3 | -73.1 | -37 | 0 | 0 | 0 | 114.1 | V61 S62 Y63 | N59-V61 VanDerWaalsContact C-N 3.33Å; N59-V61 PolarHBondContact O-N 3.39Å; N59-S62 PolarHBondContact O-N 3.35Å; N59-Y63 WeakPolarHBondContact O-CB 3.38Å; N59-Y63 PolarHBondContact O-N 3.24Å |
| 60 | F | 83.8 | Confident | 85.4 | Confident | 117 Ų | 117 | 84.9 Ų | 84.9 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.3 | -32.7 | 178.8 | 70.9 | -92.8 | 0 | 0 | 0 | 112.9 | F50 P58 A64 | F50-F60 HydrophobicContact CE2-CE2 4.27Å; F50-F60 AromaticContact CE2-CZ 3.92Å; F50-F60 HydrophobicContact CE2-CZ 3.92Å; F50-F60 AromaticContact CZ-CZ 3.77Å; F50-F60 HydrophobicContact CZ-CZ 3.77Å; P58-F60 HydrophobicContact CB-CD1 3.68Å; P58-F60 HydrophobicContact CB-CE1 3.4Å; P58-F60 VanDerWaalsContact CB-CE1 3.4Å; P58-F60 HydrophobicContact CB-CZ 4.26Å; P58-F60 HydrophobicContact CG-CD1 3.77Å; P58-F60 HydrophobicContact CG-CE1 3.16Å; P58-F60 HydrophobicContact CG-CE2 4.36Å; P58-F60 HydrophobicContact CG-CZ 3.5Å; P58-F60 PolarHBondContact O-N 2.89Å; F60-A64 WeakPolarHBondContact O-CB 3.33Å; F60-A64 PolarHBondContact O-N 3.09Å |
| 61 | V | 83.5 | Confident | 85.9 | Confident | 12 Ų | 12 | 83.2 Ų | 83.2 | 7% | 0.073 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -77 | -41.6 | 176.9 | 179.8 | 0 | 0 | 0 | 0 | 110 | F50 T57 P58 N59 Y63 A64 M65 | F50-V61 HydrophobicContact CD2-CB 4.43Å; F50-V61 HydrophobicContact CD2-CG1 4.41Å; F50-V61 HydrophobicContact CD2-CG2 3.54Å; F50-V61 HydrophobicContact CE2-CG2 3.5Å; T57-V61 HydrophobicContact CG2-CB 3.64Å; T57-V61 HydrophobicContact CG2-CG1 3.57Å; P58-V61 HydrophobicContact CG-CB 4.28Å; P58-V61 HydrophobicContact CG-CG2 3.7Å; P58-V61 PolarHBondContact O-N 3.28Å; N59-V61 VanDerWaalsContact C-N 3.33Å; N59-V61 PolarHBondContact O-N 3.39Å; V61-Y63 VanDerWaalsContact C-N 3.25Å; V61-Y63 PolarHBondContact O-N 3.12Å; V61-A64 CarbonylContact O-C 3.6Å; V61-A64 WeakPolarHBondContact O-CA 3.33Å; V61-A64 WeakPolarHBondContact O-CB 3.47Å; V61-A64 PolarHBondContact O-N 2.92Å; V61-M65 HydrophobicContact CG1-CE 4.31Å; V61-M65 HydrophobicContact CG1-CG 4.45Å; V61-M65 WeakPolarHBondContact O-CG 3.5Å; V61-M65 PolarHBondContact O-N 2.89Å |
| 62 | S | 84.5 | Confident | 86.5 | Confident | 39 Ų | 39 | 82 Ų | 82 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 172 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | P58 N59 M65 Q66 | P58-S62 PolarHBondContact O-N 2.82Å; N59-S62 PolarHBondContact O-N 3.35Å; S62-M65 PolarHBondContact O-N 2.93Å; S62-Q66 VanDerWaalsContact O-CG 3.3Å; S62-Q66 WeakPolarHBondContact O-CG 3.28Å; S62-Q66 PolarHBondContact O-N 3.45Å |
| 63 | Y | 87.3 | Confident | 87.2 | Confident | 107 Ų | 107 | 78 Ų | 78 | 42% | 0.42 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 172.1 | 179.4 | -94.1 | 0 | 0 | 0 | 112.1 | N59 V61 M65 Q66 N67 S70 F71 | N59-Y63 WeakPolarHBondContact O-CB 3.38Å; N59-Y63 PolarHBondContact O-N 3.24Å; V61-Y63 VanDerWaalsContact C-N 3.25Å; V61-Y63 PolarHBondContact O-N 3.12Å; Y63-M65 VanDerWaalsContact C-N 3.3Å; Y63-M65 PolarHBondContact O-N 3.41Å; Y63-Q66 PolarHBondContact O-N 3.41Å; Y63-N67 HydrophobicContact CE1-CB 4.33Å; Y63-N67 HydrophobicContact CE2-CB 4.27Å; Y63-N67 PolarHBondContact O-N 2.97Å; Y63-S70 PolarHBondContact OH-OG 3.22Å; Y63-F71 HydrophobicContact CD1-CD2 4.09Å; Y63-F71 HydrophobicContact CE1-CB 4.45Å; Y63-F71 HydrophobicContact CE1-CD2 4.49Å |
| 64 | A | 87.9 | Confident | 87.6 | Confident | 2 Ų | 2 | 78.2 Ų | 78.2 | 2% | 0.017 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T43 F60 V61 N67 K68 F71 | T43-A64 HydrophobicContact CG2-CB 4.1Å; F60-A64 WeakPolarHBondContact O-CB 3.33Å; F60-A64 PolarHBondContact O-N 3.09Å; V61-A64 CarbonylContact O-C 3.6Å; V61-A64 WeakPolarHBondContact O-CA 3.33Å; V61-A64 WeakPolarHBondContact O-CB 3.47Å; V61-A64 PolarHBondContact O-N 2.92Å; A64-N67 CarbonylContact O-C 3.59Å; A64-K68 VanDerWaalsContact O-CA 3.23Å; A64-K68 WeakPolarHBondContact O-CA 3.41Å; A64-K68 WeakPolarHBondContact O-CG 3.29Å; A64-K68 PolarHBondContact O-N 3.45Å; A64-F71 HydrophobicContact CB-CB 4.09Å; A64-F71 HydrophobicContact CB-CD1 3.54Å; A64-F71 HydrophobicContact CB-CD2 3.63Å; A64-F71 HydrophobicContact CB-CE1 3.76Å; A64-F71 HydrophobicContact CB-CE2 3.85Å; A64-F71 HydrophobicContact CB-CG 3.45Å; A64-F71 VanDerWaalsContact CB-CG 3.45Å; A64-F71 HydrophobicContact CB-CZ 3.9Å |
| 65 | M | 83.4 | Confident | 88.1 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 26% | 0.261 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.1 | -36.9 | 178.5 | -66.1 | -58.1 | 139.1 | 0 | 0 | 112.6 | V61 S62 Y63 | V61-M65 HydrophobicContact CG1-CE 4.31Å; V61-M65 HydrophobicContact CG1-CG 4.45Å; V61-M65 WeakPolarHBondContact O-CG 3.5Å; V61-M65 PolarHBondContact O-N 2.89Å; S62-M65 PolarHBondContact O-N 2.93Å; Y63-M65 VanDerWaalsContact C-N 3.3Å; Y63-M65 PolarHBondContact O-N 3.41Å |
| 66 | Q | 89.3 | Confident | 88.6 | Confident | 150 Ų | 150 | 72.2 Ų | 72.2 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -72.7 | -39.5 | 175.9 | -70.4 | 174.6 | 39.9 | 0 | 0 | 112.4 | S62 Y63 | S62-Q66 VanDerWaalsContact O-CG 3.3Å; S62-Q66 WeakPolarHBondContact O-CG 3.28Å; S62-Q66 PolarHBondContact O-N 3.45Å; Y63-Q66 PolarHBondContact O-N 3.41Å |
| 67 | N | 91.8 | Very high | 89.2 | Confident | 73 Ų | 73 | 71 Ų | 71 | 39% | 0.39 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -126 | 60.1 | -172.6 | -67.4 | -69.1 | 0 | 0 | 0 | 111.8 | Y63 A64 V69 S70 F71 | Y63-N67 HydrophobicContact CE1-CB 4.33Å; Y63-N67 HydrophobicContact CE2-CB 4.27Å; Y63-N67 PolarHBondContact O-N 2.97Å; A64-N67 CarbonylContact O-C 3.59Å; N67-V69 PolarHBondContact O-N 3.16Å; N67-S70 PolarHBondContact O-N 2.89Å; N67-F71 WeakPolarHBondContact O-CB 3.16Å; N67-F71 PolarHBondContact O-N 2.97Å |
| 68 | K | 90.2 | Very high | 89.8 | Confident | 83 Ų | 83 | 73.3 Ų | 73.3 | 36% | 0.361 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -50.5 | -49.9 | -174.2 | -62.5 | -173.4 | 176.6 | -163.2 | 0 | 113.5 | T43 V44 A64 F71 C72 | T43-K68 HydrophobicContact CG2-CB 4.38Å; T43-K68 HydrophobicContact CG2-CG 4.44Å; V44-K68 PolarHBondContact O-NZ 3.13Å; A64-K68 VanDerWaalsContact O-CA 3.23Å; A64-K68 WeakPolarHBondContact O-CA 3.41Å; A64-K68 WeakPolarHBondContact O-CG 3.29Å; A64-K68 PolarHBondContact O-N 3.45Å; K68-F71 PolarHBondContact O-N 3.35Å; K68-C72 WeakPolarHBondContact O-CB 3.45Å; K68-C72 PolarHBondContact O-N 3.5Å; K68-C72 PolarHBondContact O-SG 3.22Å |
| 69 | V | 91.6 | Very high | 90.2 | Very high | 123 Ų | 123 | 72.5 Ų | 72.5 | 75% | 0.745 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.4 | -48.7 | -176.8 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | N67 F71 C72 L73 | N67-V69 PolarHBondContact O-N 3.16Å; V69-F71 PolarHBondContact O-N 2.96Å; V69-C72 PolarHBondContact O-N 2.87Å; V69-L73 WeakPolarHBondContact O-CB 3.47Å; V69-L73 PolarHBondContact O-N 2.91Å |
| 70 | S | 92.3 | Very high | 90.6 | Very high | 53 Ų | 53 | 68.2 Ų | 68.2 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 179.6 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | Y63 N67 L73 M74 | Y63-S70 PolarHBondContact OH-OG 3.22Å; N67-S70 PolarHBondContact O-N 2.89Å; S70-L73 PolarHBondContact O-N 3.36Å; S70-M74 WeakPolarHBondContact O-CB 3.33Å; S70-M74 PolarHBondContact O-N 2.87Å |
| 71 | F | 92.8 | Very high | 91 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 178.5 | -175.9 | -92.3 | 0 | 0 | 0 | 112.6 | I39 T43 Y63 A64 N67 K68 V69 L73 M74 T75 | I39-F71 HydrophobicContact CG2-CE1 4Å; T43-F71 HydrophobicContact CG2-CD1 3.87Å; Y63-F71 HydrophobicContact CD1-CD2 4.09Å; Y63-F71 HydrophobicContact CE1-CB 4.45Å; Y63-F71 HydrophobicContact CE1-CD2 4.49Å; A64-F71 HydrophobicContact CB-CB 4.09Å; A64-F71 HydrophobicContact CB-CD1 3.54Å; A64-F71 HydrophobicContact CB-CD2 3.63Å; A64-F71 HydrophobicContact CB-CE1 3.76Å; A64-F71 HydrophobicContact CB-CE2 3.85Å; A64-F71 HydrophobicContact CB-CG 3.45Å; A64-F71 VanDerWaalsContact CB-CG 3.45Å; A64-F71 HydrophobicContact CB-CZ 3.9Å; N67-F71 WeakPolarHBondContact O-CB 3.16Å; N67-F71 PolarHBondContact O-N 2.97Å; K68-F71 PolarHBondContact O-N 3.35Å; V69-F71 PolarHBondContact O-N 2.96Å; F71-L73 VanDerWaalsContact C-N 3.35Å; F71-L73 PolarHBondContact O-N 3.01Å; F71-M74 PolarHBondContact O-N 3Å; F71-T75 WeakPolarHBondContact CE1-OG1 3.43Å; F71-T75 WeakPolarHBondContact O-CB 3.04Å; F71-T75 PolarHBondContact O-N 2.97Å; F71-T75 PolarHBondContact O-OG1 2.82Å |
| 72 | C | 92.6 | Very high | 91.4 | Very high | 18 Ų | 18 | 70.4 Ų | 70.4 | 12% | 0.122 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.7 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | I40 K68 V69 T75 F76 | I40-C72 HydrophobicContact CG2-CB 4.33Å; K68-C72 WeakPolarHBondContact O-CB 3.45Å; K68-C72 PolarHBondContact O-N 3.5Å; K68-C72 PolarHBondContact O-SG 3.22Å; V69-C72 PolarHBondContact O-N 2.87Å; C72-T75 PolarHBondContact O-N 3.4Å; C72-F76 VanDerWaalsContact O-CB 3.3Å; C72-F76 WeakPolarHBondContact O-CB 3.27Å; C72-F76 PolarHBondContact O-N 2.84Å |
| 73 | L | 94.2 | Very high | 91.7 | Very high | 99 Ų | 99 | 69.8 Ų | 69.8 | 52% | 0.518 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 176.1 | -177.4 | 65.4 | 0 | 0 | 0 | 111.4 | V69 S70 F71 T75 F76 L77 | V69-L73 WeakPolarHBondContact O-CB 3.47Å; V69-L73 PolarHBondContact O-N 2.91Å; S70-L73 PolarHBondContact O-N 3.36Å; F71-L73 VanDerWaalsContact C-N 3.35Å; F71-L73 PolarHBondContact O-N 3.01Å; L73-T75 PolarHBondContact O-N 2.83Å; L73-F76 PolarHBondContact O-N 3.23Å; L73-L77 HydrophobicContact CD1-CD1 4.16Å; L73-L77 HydrophobicContact CD1-CG 4.23Å; L73-L77 HydrophobicContact CG-CD1 3.98Å; L73-L77 HydrophobicContact CG-CG 4.4Å; L73-L77 WeakPolarHBondContact O-CB 3.39Å; L73-L77 VanDerWaalsContact O-CG 3.29Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 3.37Å |
| 74 | M | 93.2 | Very high | 91.8 | Very high | 105 Ų | 105 | 66.4 Ų | 66.4 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 177.3 | -174.9 | 66.3 | 79.9 | 0 | 0 | 111.4 | S70 F71 F76 L77 L78 | S70-M74 WeakPolarHBondContact O-CB 3.33Å; S70-M74 PolarHBondContact O-N 2.87Å; F71-M74 PolarHBondContact O-N 3Å; M74-F76 VanDerWaalsContact C-N 3.33Å; M74-F76 PolarHBondContact O-N 3.09Å; M74-L77 PolarHBondContact O-N 3.22Å; M74-L78 HydrophobicContact CG-CD1 3.77Å; M74-L78 HydrophobicContact CG-CG 4.24Å; M74-L78 WeakPolarHBondContact O-CB 3.34Å; M74-L78 VanDerWaalsContact O-CG 3.32Å; M74-L78 WeakPolarHBondContact O-CG 3.17Å; M74-L78 PolarHBondContact O-N 2.85Å; M74-L78 HydrophobicContact SD-CD1 3.94Å; M74-L78 HydrophobicContact SD-CG 4.01Å |
| 75 | T | 92.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 73 Ų | 73 | 15% | 0.147 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | K36 I39 I40 F71 C72 L73 G79 | K36-T75 HydrophobicContact CG-CG2 4.48Å; I39-T75 HydrophobicContact CB-CG2 4.48Å; I39-T75 HydrophobicContact CG2-CG2 4.08Å; I40-T75 HydrophobicContact CG1-CG2 4.18Å; F71-T75 WeakPolarHBondContact CE1-OG1 3.43Å; F71-T75 WeakPolarHBondContact O-CB 3.04Å; F71-T75 PolarHBondContact O-N 2.97Å; F71-T75 PolarHBondContact O-OG1 2.82Å; C72-T75 PolarHBondContact O-N 3.4Å; L73-T75 PolarHBondContact O-N 2.83Å; T75-G79 WeakPolarHBondContact O-CA 3.07Å; T75-G79 PolarHBondContact O-N 3.25Å |
| 76 | F | 94.1 | Very high | 91.9 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 34% | 0.342 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 176.7 | 178.5 | -105.3 | 0 | 0 | 0 | 111.7 | K36 I40 C72 L73 M74 G79 N80 | K36-F76 HydrophobicContact CD-CD2 4.47Å; I40-F76 HydrophobicContact CD1-CB 4.09Å; I40-F76 HydrophobicContact CD1-CD2 4.49Å; C72-F76 VanDerWaalsContact O-CB 3.3Å; C72-F76 WeakPolarHBondContact O-CB 3.27Å; C72-F76 PolarHBondContact O-N 2.84Å; L73-F76 PolarHBondContact O-N 3.23Å; M74-F76 VanDerWaalsContact C-N 3.33Å; M74-F76 PolarHBondContact O-N 3.09Å; F76-G79 PolarHBondContact O-N 3.46Å; F76-N80 VanDerWaalsContact CD1-ND2 3.33Å; F76-N80 WeakPolarHBondContact CD1-ND2 3.47Å; F76-N80 WeakPolarHBondContact CE1-ND2 3.48Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.43Å; F76-N80 WeakPolarHBondContact CZ-ND2 3.49Å; F76-N80 WeakPolarHBondContact O-CB 3.32Å; F76-N80 PolarHBondContact O-N 2.78Å; F76-N80 PolarHBondContact O-ND2 3.03Å |
| 77 | L | 95.8 | Very high | 91.7 | Very high | 91 Ų | 91 | 68.2 Ų | 68.2 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.4 | -51 | -179 | -70.2 | 176.3 | 0 | 0 | 0 | 111.9 | L73 M74 G79 N80 V81 | L73-L77 HydrophobicContact CD1-CD1 4.16Å; L73-L77 HydrophobicContact CD1-CG 4.23Å; L73-L77 HydrophobicContact CG-CD1 3.98Å; L73-L77 HydrophobicContact CG-CG 4.4Å; L73-L77 WeakPolarHBondContact O-CB 3.39Å; L73-L77 VanDerWaalsContact O-CG 3.29Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 3.37Å; M74-L77 PolarHBondContact O-N 3.22Å; L77-G79 VanDerWaalsContact C-N 3.3Å; L77-G79 PolarHBondContact O-N 3.48Å; L77-N80 PolarHBondContact O-N 3.42Å; L77-V81 WeakPolarHBondContact O-CG2 3.1Å; L77-V81 PolarHBondContact O-N 2.98Å |
| 78 | L | 94.7 | Very high | 91.3 | Very high | 98 Ų | 98 | 68.3 Ų | 68.3 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 177.4 | -70.1 | 177.5 | 0 | 0 | 0 | 111.3 | M74 N80 V81 I82 | M74-L78 HydrophobicContact CG-CD1 3.77Å; M74-L78 HydrophobicContact CG-CG 4.24Å; M74-L78 WeakPolarHBondContact O-CB 3.34Å; M74-L78 VanDerWaalsContact O-CG 3.32Å; M74-L78 WeakPolarHBondContact O-CG 3.17Å; M74-L78 PolarHBondContact O-N 2.85Å; M74-L78 HydrophobicContact SD-CD1 3.94Å; M74-L78 HydrophobicContact SD-CG 4.01Å; L78-N80 PolarHBondContact O-N 3.41Å; L78-V81 PolarHBondContact O-N 2.83Å; L78-I82 WeakPolarHBondContact O-CG1 3.49Å; L78-I82 PolarHBondContact O-N 3Å |
| 79 | G | 93.2 | Very high | 90.8 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 18% | 0.175 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T75 F76 L77 V81 I82 E83 | T75-G79 WeakPolarHBondContact O-CA 3.07Å; T75-G79 PolarHBondContact O-N 3.25Å; F76-G79 PolarHBondContact O-N 3.46Å; L77-G79 VanDerWaalsContact C-N 3.3Å; L77-G79 PolarHBondContact O-N 3.48Å; G79-V81 PolarHBondContact O-N 2.87Å; G79-I82 PolarHBondContact O-N 3.15Å; G79-E83 WeakPolarHBondContact O-CB 3.35Å; G79-E83 PolarHBondContact O-N 3.4Å |
| 80 | N | 93.2 | Very high | 90.2 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 31% | 0.305 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | 177.1 | -70.4 | -33.7 | 0 | 0 | 0 | 112.8 | K36 F76 L77 L78 G84 | K36-N80 PolarHBondContact NZ-OD1 2.93Å; F76-N80 VanDerWaalsContact CD1-ND2 3.33Å; F76-N80 WeakPolarHBondContact CD1-ND2 3.47Å; F76-N80 WeakPolarHBondContact CE1-ND2 3.48Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.43Å; F76-N80 WeakPolarHBondContact CZ-ND2 3.49Å; F76-N80 WeakPolarHBondContact O-CB 3.32Å; F76-N80 PolarHBondContact O-N 2.78Å; F76-N80 PolarHBondContact O-ND2 3.03Å; L77-N80 PolarHBondContact O-N 3.42Å; L78-N80 PolarHBondContact O-N 3.41Å; N80-G84 PolarHBondContact O-N 2.85Å |
| 81 | V | 93.4 | Very high | 89.7 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 54% | 0.539 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -50 | 174.5 | 171 | 0 | 0 | 0 | 0 | 109.9 | L77 L78 G79 G84 Q85 | L77-V81 WeakPolarHBondContact O-CG2 3.1Å; L77-V81 PolarHBondContact O-N 2.98Å; L78-V81 PolarHBondContact O-N 2.83Å; G79-V81 PolarHBondContact O-N 2.87Å; V81-G84 PolarHBondContact O-N 2.92Å; V81-Q85 VanDerWaalsContact O-CG 3.27Å; V81-Q85 WeakPolarHBondContact O-CG 3.25Å; V81-Q85 PolarHBondContact O-N 3.03Å |
| 82 | I | 92 | Very high | 89.3 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | -179.9 | -64.1 | 166.5 | 0 | 0 | 0 | 110.7 | L32 L78 G79 G84 Q85 L86 | L32-I82 HydrophobicContact CD1-CG2 3.8Å; L78-I82 WeakPolarHBondContact O-CG1 3.49Å; L78-I82 PolarHBondContact O-N 3Å; G79-I82 PolarHBondContact O-N 3.15Å; I82-G84 VanDerWaalsContact C-N 3.32Å; I82-G84 PolarHBondContact O-N 3.26Å; I82-Q85 PolarHBondContact O-N 3.27Å; I82-Q85 VanDerWaalsContact O-N 3.13Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 WeakPolarHBondContact O-CD1 3.5Å; I82-L86 PolarHBondContact O-N 2.93Å |
| 83 | E | 90.5 | Very high | 88.9 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 12% | 0.121 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.1 | -45.9 | 176.3 | -174.1 | 177.5 | 170.6 | 0 | 0 | 111.3 | A29 Q33 K36 G79 Q85 L86 L87 | A29-E83 HydrophobicContact CB-CG 4.35Å; Q33-E83 PolarHBondContact NE2-OE1 3.34Å; K36-E83 IonicContact NZ-OE2 3.8Å; K36-E83 PolarHBondContact NZ-OE2 3.3Å; G79-E83 WeakPolarHBondContact O-CB 3.35Å; G79-E83 PolarHBondContact O-N 3.4Å; E83-Q85 PolarHBondContact O-N 3.28Å; E83-L86 PolarHBondContact O-N 3.35Å; E83-L87 HydrophobicContact CG-CD1 4.12Å; E83-L87 WeakPolarHBondContact O-CG 3.25Å; E83-L87 PolarHBondContact O-N 2.91Å |
| 84 | G | 88.7 | Confident | 88.3 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 38% | 0.381 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N80 V81 I82 S88 | N80-G84 PolarHBondContact O-N 2.85Å; V81-G84 PolarHBondContact O-N 2.92Å; I82-G84 VanDerWaalsContact C-N 3.32Å; I82-G84 PolarHBondContact O-N 3.26Å; G84-S88 VanDerWaalsContact O-CB 3.25Å; G84-S88 WeakPolarHBondContact O-CB 3.35Å; G84-S88 PolarHBondContact O-N 2.73Å |
| 85 | Q | 88.1 | Confident | 87.9 | Confident | 140 Ų | 140 | 61.2 Ų | 61.2 | 65% | 0.654 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.3 | -35.3 | 175.6 | -67.6 | -64.7 | -23.2 | 0 | 0 | 112.5 | V81 I82 E83 | V81-Q85 VanDerWaalsContact O-CG 3.27Å; V81-Q85 WeakPolarHBondContact O-CG 3.25Å; V81-Q85 PolarHBondContact O-N 3.03Å; I82-Q85 PolarHBondContact O-N 3.27Å; I82-Q85 VanDerWaalsContact O-N 3.13Å; E83-Q85 PolarHBondContact O-N 3.28Å |
| 86 | L | 86.1 | Confident | 87.5 | Confident | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.8 | -38.8 | 177.6 | -92.6 | 72.2 | 0 | 0 | 0 | 112.5 | R25 L28 A29 L32 I82 E83 | R25-L86 WeakPolarHBondContact CD-O 3.43Å; L28-L86 HydrophobicContact CB-CD2 3.9Å; L28-L86 HydrophobicContact CD2-CD2 3.56Å; L28-L86 HydrophobicContact CG-CD2 3.56Å; A29-L86 HydrophobicContact CB-CB 4.24Å; A29-L86 HydrophobicContact CB-CD2 4.35Å; L32-L86 HydrophobicContact CD1-CD2 3.74Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 WeakPolarHBondContact O-CD1 3.5Å; I82-L86 PolarHBondContact O-N 2.93Å; E83-L86 PolarHBondContact O-N 3.35Å |
| 87 | L | 85.3 | Confident | 86.9 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -77.5 | -26.2 | 179.3 | -65.5 | 175.2 | 0 | 0 | 0 | 112 | P21 A29 E83 T89 | P21-L87 HydrophobicContact CB-CD2 4.49Å; P21-L87 HydrophobicContact CG-CD2 3.75Å; A29-L87 HydrophobicContact CB-CD2 3.77Å; A29-L87 HydrophobicContact CB-CG 3.99Å; E83-L87 HydrophobicContact CG-CD1 4.12Å; E83-L87 WeakPolarHBondContact O-CG 3.25Å; E83-L87 PolarHBondContact O-N 2.91Å; L87-T89 PolarHBondContact O-N 3.04Å |
| 88 | S | 82.3 | Confident | 86.2 | Confident | 75 Ų | 75 | 65 Ų | 65 | 52% | 0.524 | 36% | 0.363 | S | S | . | . | trans | -72.4 | 114.5 | 174.5 | -163 | 0 | 0 | 0 | 0 | 110.9 | G84 | G84-S88 VanDerWaalsContact O-CB 3.25Å; G84-S88 WeakPolarHBondContact O-CB 3.35Å; G84-S88 PolarHBondContact O-N 2.73Å | ||
| 89 | T | 80.1 | Confident | 85.6 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 19% | 0.19 | 36% | 0.361 | C | S | . | . | trans | -90.9 | -19.2 | -178.4 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | Y19 P21 L87 A91 | Y19-T89 HydrophobicContact CD1-CG2 4.05Å; Y19-T89 PolarHBondContact O-OG1 3.17Å; P21-T89 HydrophobicContact CB-CG2 3.94Å; L87-T89 PolarHBondContact O-N 3.04Å; T89-A91 PolarHBondContact O-N 2.84Å | ||
| 90 | G | 78.7 | Confident | 85.2 | Confident | 46 Ų | 46 | 67.7 Ų | 67.7 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | trans | 62.1 | 6.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K104 | G90-K104 PolarHBondContact O-NZ 3.07Š| ||
| 91 | A | 82.1 | Confident | 84.7 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | trans | -79.4 | 149.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y19 T89 L105 | Y19-A91 HydrophobicContact CD1-CB 3.37Å; Y19-A91 HydrophobicContact CD2-CB 4.21Å; Y19-A91 HydrophobicContact CE1-CB 3.84Å; Y19-A91 HydrophobicContact CG-CB 3.54Å; T89-A91 PolarHBondContact O-N 2.84Å; A91-L105 HydrophobicContact CB-CD1 4.35Å; A91-L105 HydrophobicContact CB-CD2 3.89Å; A91-L105 HydrophobicContact CB-CG 4.16Å | ||
| 92 | F | 83.2 | Confident | 84.3 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 33% | 0.333 | 35% | 0.347 | S | S | . | . | trans | -142.8 | 116.1 | 174.3 | 179.5 | -98.8 | 0 | 0 | 0 | 107.1 | I94 K104 P111 | F92-I94 HydrophobicContact CD1-CG1 4.47Å; F92-I94 HydrophobicContact CE1-CD1 3.58Å; F92-I94 HydrophobicContact CE1-CG1 3.66Å; F92-I94 HydrophobicContact CZ-CD1 3.88Å; F92-I94 HydrophobicContact CZ-CG1 3.87Å; F92-K104 HydrophobicContact CB-CB 3.97Å; F92-K104 HydrophobicContact CB-CD 4.07Å; F92-K104 WeakPolarHBondContact O-CB 3.36Å; F92-K104 PolarHBondContact O-N 3.39Å; F92-P111 HydrophobicContact CE1-CG 4.43Å | ||
| 93 | E | 84.3 | Confident | 83.9 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 16% | 0.164 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.1 | -178.3 | -57.9 | -159.4 | 148.7 | 0 | 0 | 109.3 | Y19 Y95 W102 S103 | Y19-E93 HydrophobicContact CD2-CG 4.06Å; Y19-E93 HydrophobicContact CE2-CG 3.9Å; Y19-E93 WeakPolarHBondContact CE2-OE2 3.31Å; E93-Y95 HydrophobicContact CB-CD2 4.36Å; E93-Y95 HydrophobicContact CB-CE2 3.64Å; E93-Y95 PolarHBondContact OE2-OH 3.15Å; E93-W102 CarbonylContact C-O 3.51Å; E93-W102 VanDerWaalsContact CA-O 3.29Å; E93-W102 WeakPolarHBondContact CA-O 3.24Å; E93-S103 VanDerWaalsContact OE1-CB 3.31Å; E93-S103 WeakPolarHBondContact OE1-CB 3.35Å; E93-S103 PolarHBondContact OE1-OG 3.47Å |
| 94 | I | 83.1 | Confident | 83.7 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.4 | 176.5 | -57.9 | 175.1 | 0 | 0 | 0 | 106.7 | F92 V101 W102 P111 L116 | F92-I94 HydrophobicContact CD1-CG1 4.47Å; F92-I94 HydrophobicContact CE1-CD1 3.58Å; F92-I94 HydrophobicContact CE1-CG1 3.66Å; F92-I94 HydrophobicContact CZ-CD1 3.88Å; F92-I94 HydrophobicContact CZ-CG1 3.87Å; I94-V101 HydrophobicContact CB-CG2 3.88Å; I94-V101 HydrophobicContact CG2-CG2 3.6Å; I94-V101 VanDerWaalsContact O-CG2 3.24Å; I94-V101 WeakPolarHBondContact O-CG2 3.08Å; I94-V101 PolarHBondContact O-N 3.29Å; I94-W102 HydrophobicContact CB-CB 4.29Å; I94-W102 HydrophobicContact CD1-CB 4.48Å; I94-W102 PolarHBondContact N-O 3.16Å; I94-W102 PolarHBondContact O-N 3.15Å; I94-P111 HydrophobicContact CD1-CG 4.18Å; I94-L116 HydrophobicContact CD1-CD1 3.52Å; I94-L116 HydrophobicContact CD1-CD2 3.77Å; I94-L116 HydrophobicContact CD1-CG 4.28Å; I94-L116 HydrophobicContact CG2-CD1 4.26Å |
| 95 | Y | 84.7 | Confident | 83.3 | Confident | 124 Ų | 124 | 63.6 Ų | 63.6 | 49% | 0.486 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 144.4 | 176.3 | -65.7 | -97.6 | 0 | 0 | 0 | 109.3 | E93 I99 P100 | E93-Y95 HydrophobicContact CB-CD2 4.36Å; E93-Y95 HydrophobicContact CB-CE2 3.64Å; E93-Y95 PolarHBondContact OE2-OH 3.15Å; Y95-I99 CarbonylContact C-O 3.52Å; Y95-I99 WeakPolarHBondContact CA-O 2.93Å; Y95-P100 HydrophobicContact CD1-CB 4.05Å; Y95-P100 HydrophobicContact CE1-CB 3.78Å; Y95-P100 HydrophobicContact CE1-CG 4.4Å |
| 96 | L | 83.1 | Confident | 82.9 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 114.9 | 174.5 | -169.3 | 75.1 | 0 | 0 | 0 | 107.7 | F12 D98 I99 V101 I120 H123 | F12-L96 HydrophobicContact CD1-CD1 3.88Å; F12-L96 HydrophobicContact CE1-CD1 3.33Å; F12-L96 HydrophobicContact CE1-CG 4.36Å; F12-L96 HydrophobicContact CZ-CD1 4.21Å; L96-D98 VanDerWaalsContact C-N 3.29Å; L96-D98 PolarHBondContact O-N 2.56Å; L96-I99 PolarHBondContact N-O 2.83Å; L96-I99 WeakPolarHBondContact O-CB 3.29Å; L96-I99 PolarHBondContact O-N 3.06Å; L96-V101 HydrophobicContact CB-CG1 3.51Å; L96-V101 HydrophobicContact CB-CG2 4.4Å; L96-V101 HydrophobicContact CD2-CG1 4.29Å; L96-I120 HydrophobicContact CD2-CG2 4.46Å; L96-H123 HydrophobicContact CD2-CB 3.46Å; L96-H123 VanDerWaalsContact CD2-CB 3.46Å |
| 97 | D | 82.8 | Confident | 82.8 | Confident | 95 Ų | 95 | 67.1 Ų | 67.1 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 49.8 | -173.4 | -60.8 | -26.6 | 0 | 0 | 0 | 111.8 | I99 R127 | D97-I99 PolarHBondContact O-N 2.9Å; D97-I99 VanDerWaalsContact O-N 3.09Å; D97-R127 IonicContact OD1-NH1 3.71Å; D97-R127 IonicContact OD2-CZ 3.82Å; D97-R127 IonicContact OD2-NH1 3.84Å; D97-R127 PolarHBondContact OD2-NH1 2.68Å |
| 98 | D | 80.3 | Confident | 82.6 | Confident | 158 Ų | 158 | 70.5 Ų | 70.5 | 85% | 0.845 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 2.7 | -176.6 | -56.8 | -49.7 | 0 | 0 | 0 | 116.7 | L96 | L96-D98 VanDerWaalsContact C-N 3.29Å; L96-D98 PolarHBondContact O-N 2.56Å |
| 99 | I | 82.3 | Confident | 82.8 | Confident | 90 Ų | 90 | 72.5 Ų | 72.5 | 46% | 0.462 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.1 | 176.7 | -59.3 | 170.3 | 0 | 0 | 0 | 109.5 | Y95 L96 D97 V101 | Y95-I99 CarbonylContact C-O 3.52Å; Y95-I99 WeakPolarHBondContact CA-O 2.93Å; L96-I99 PolarHBondContact N-O 2.83Å; L96-I99 WeakPolarHBondContact O-CB 3.29Å; L96-I99 PolarHBondContact O-N 3.06Å; D97-I99 PolarHBondContact O-N 2.9Å; D97-I99 VanDerWaalsContact O-N 3.09Å; I99-V101 PolarHBondContact O-N 2.88Å; I99-V101 VanDerWaalsContact O-N 3.15Å |
| 100 | P | 84 | Confident | 83 | Confident | 82 Ų | 82 | 75.8 Ų | 75.8 | 53% | 0.532 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 112.9 | 176.8 | 27.5 | -33 | 0 | 0 | 0 | 110 | Y95 | Y95-P100 HydrophobicContact CD1-CB 4.05Å; Y95-P100 HydrophobicContact CE1-CB 3.78Å; Y95-P100 HydrophobicContact CE1-CG 4.4Å |
| 101 | V | 84.6 | Confident | 83.2 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -25.8 | 179.4 | -63 | 0 | 0 | 0 | 0 | 112.7 | I94 L96 I99 I119 | I94-V101 HydrophobicContact CB-CG2 3.88Å; I94-V101 HydrophobicContact CG2-CG2 3.6Å; I94-V101 VanDerWaalsContact O-CG2 3.24Å; I94-V101 WeakPolarHBondContact O-CG2 3.08Å; I94-V101 PolarHBondContact O-N 3.29Å; L96-V101 HydrophobicContact CB-CG1 3.51Å; L96-V101 HydrophobicContact CB-CG2 4.4Å; L96-V101 HydrophobicContact CD2-CG1 4.29Å; I99-V101 PolarHBondContact O-N 2.88Å; I99-V101 VanDerWaalsContact O-N 3.15Å; V101-I119 HydrophobicContact CB-CG2 3.82Å; V101-I119 HydrophobicContact CG1-CG2 4.4Å |
| 102 | W | 84.8 | Confident | 83.4 | Confident | 25 Ų | 25 | 78.3 Ų | 78.3 | 10% | 0.095 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 141.6 | 174.5 | -166.3 | -88 | 0 | 0 | 0 | 110.7 | E93 I94 T107 R109 P111 I119 | E93-W102 CarbonylContact C-O 3.51Å; E93-W102 VanDerWaalsContact CA-O 3.29Å; E93-W102 WeakPolarHBondContact CA-O 3.24Å; I94-W102 HydrophobicContact CB-CB 4.29Å; I94-W102 HydrophobicContact CD1-CB 4.48Å; I94-W102 PolarHBondContact N-O 3.16Å; I94-W102 PolarHBondContact O-N 3.15Å; W102-T107 HydrophobicContact CD2-CG2 4.28Å; W102-T107 HydrophobicContact CH2-CG2 4.1Å; W102-T107 HydrophobicContact CZ2-CG2 3.71Å; W102-T107 HydrophobicContact CZ3-CG2 4.48Å; W102-T107 PolarHBondContact NE1-OG1 3.04Å; W102-T107 VanDerWaalsContact NE1-OG1 3.15Å; W102-R109 HydrophobicContact CZ2-CG 4.08Å; W102-R109 PolarHBondContact NE1-O 3Å; W102-P111 HydrophobicContact CD2-CB 3.73Å; W102-P111 HydrophobicContact CD2-CG 3.86Å; W102-P111 HydrophobicContact CE3-CB 4.08Å; W102-P111 HydrophobicContact CG-CB 4.23Å; W102-P111 HydrophobicContact CG-CG 3.8Å; W102-P111 HydrophobicContact CH2-CB 3.99Å; W102-P111 HydrophobicContact CZ2-CB 3.69Å; W102-P111 HydrophobicContact CZ2-CG 4.36Å; W102-P111 HydrophobicContact CZ3-CB 4.2Å; W102-P111 VanDerWaalsContact NE1-CD 3.33Å; W102-I119 HydrophobicContact CE3-CD1 3.45Å; W102-I119 VanDerWaalsContact CE3-CD1 3.45Å; W102-I119 HydrophobicContact CZ3-CD1 3.63Å |
| 103 | S | 83.8 | Confident | 83.4 | Confident | 10 Ų | 10 | 76.7 Ų | 76.7 | 7% | 0.07 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 126.7 | 167.6 | 167.1 | 0 | 0 | 0 | 0 | 110.3 | E93 L105 Y106 T107 | E93-S103 VanDerWaalsContact OE1-CB 3.31Å; E93-S103 WeakPolarHBondContact OE1-CB 3.35Å; E93-S103 PolarHBondContact OE1-OG 3.47Å; S103-L105 PolarHBondContact O-N 3.5Å; S103-L105 WeakPolarHBondContact OG-CB 3.27Å; S103-L105 PolarHBondContact OG-N 3.05Å; S103-Y106 PolarHBondContact O-N 3.22Å; S103-T107 PolarHBondContact O-N 3.12Å; S103-T107 VanDerWaalsContact O-N 3.15Å; S103-T107 PolarHBondContact O-OG1 3.37Å |
| 104 | K | 85.7 | Confident | 83.4 | Confident | 69 Ų | 69 | 81 Ų | 81 | 30% | 0.3 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.5 | -24.9 | 174.5 | -177.1 | -176.7 | 170.7 | -162.6 | 0 | 111.4 | G90 F92 Y106 T107 N108 I110 | G90-K104 PolarHBondContact O-NZ 3.07Å; F92-K104 HydrophobicContact CB-CB 3.97Å; F92-K104 HydrophobicContact CB-CD 4.07Å; F92-K104 WeakPolarHBondContact O-CB 3.36Å; F92-K104 PolarHBondContact O-N 3.39Å; K104-Y106 VanDerWaalsContact C-N 3.28Å; K104-Y106 PolarHBondContact O-N 3.02Å; K104-T107 WeakPolarHBondContact CA-OG1 3.35Å; K104-N108 VanDerWaalsContact O-CA 3.25Å; K104-N108 WeakPolarHBondContact O-CA 3.44Å; K104-N108 PolarHBondContact O-N 3.42Å; K104-I110 HydrophobicContact CD-CG1 4.18Å |
| 105 | L | 80.5 | Confident | 83.4 | Confident | 87 Ų | 87 | 82 Ų | 82 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 179.6 | -61 | 178.4 | 0 | 0 | 0 | 112.1 | Y19 A91 S103 | Y19-L105 HydrophobicContact CE1-CD1 4.32Å; A91-L105 HydrophobicContact CB-CD1 4.35Å; A91-L105 HydrophobicContact CB-CD2 3.89Å; A91-L105 HydrophobicContact CB-CG 4.16Å; S103-L105 PolarHBondContact O-N 3.5Å; S103-L105 WeakPolarHBondContact OG-CB 3.27Å; S103-L105 PolarHBondContact OG-N 3.05Å |
| 106 | Y | 79.8 | Confident | 83.4 | Confident | 195 Ų | 195 | 76.3 Ų | 76.3 | 77% | 0.765 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -92.1 | -40.1 | 178.1 | -60.6 | -76.6 | 0 | 0 | 0 | 112.4 | S103 K104 | S103-Y106 PolarHBondContact O-N 3.22Å; K104-Y106 VanDerWaalsContact C-N 3.28Å; K104-Y106 PolarHBondContact O-N 3.02Å |
| 107 | T | 83 | Confident | 83.4 | Confident | 54 Ų | 54 | 77 Ų | 77 | 33% | 0.331 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -83.8 | -15.6 | -174.1 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | W102 S103 K104 R109 | W102-T107 HydrophobicContact CD2-CG2 4.28Å; W102-T107 HydrophobicContact CH2-CG2 4.1Å; W102-T107 HydrophobicContact CZ2-CG2 3.71Å; W102-T107 HydrophobicContact CZ3-CG2 4.48Å; W102-T107 PolarHBondContact NE1-OG1 3.04Å; W102-T107 VanDerWaalsContact NE1-OG1 3.15Å; S103-T107 PolarHBondContact O-N 3.12Å; S103-T107 VanDerWaalsContact O-N 3.15Å; S103-T107 PolarHBondContact O-OG1 3.37Å; K104-T107 WeakPolarHBondContact CA-OG1 3.35Å; T107-R109 PolarHBondContact O-N 3.02Å; T107-R109 PolarHBondContact OG1-O 3.33Å; T107-R109 VanDerWaalsContact OG1-O 3.04Å |
| 108 | N | 81.4 | Confident | 83.6 | Confident | 139 Ų | 139 | 77.9 Ų | 77.9 | 74% | 0.743 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 53.4 | 13.7 | -172 | -71.9 | -71.9 | 0 | 0 | 0 | 114.7 | K104 | K104-N108 VanDerWaalsContact O-CA 3.25Å; K104-N108 WeakPolarHBondContact O-CA 3.44Å; K104-N108 PolarHBondContact O-N 3.42Å |
| 109 | R | 86.6 | Confident | 83.8 | Confident | 117 Ų | 117 | 72.1 Ų | 72.1 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -142.3 | 155.4 | 179.7 | 70.2 | -176.6 | 179.4 | 131 | 3.2 | 111.2 | W102 T107 E115 | W102-R109 HydrophobicContact CZ2-CG 4.08Å; W102-R109 PolarHBondContact NE1-O 3Å; T107-R109 PolarHBondContact O-N 3.02Å; T107-R109 PolarHBondContact OG1-O 3.33Å; T107-R109 VanDerWaalsContact OG1-O 3.04Å; R109-E115 IonicContact CZ-OE1 3.61Å; R109-E115 VanDerWaalsContact CZ-OE1 3.25Å; R109-E115 IonicContact CZ-OE2 2.91Å; R109-E115 IonicContact NH1-OE1 3.35Å; R109-E115 PolarHBondContact NH1-OE1 3.37Å; R109-E115 IonicContact NH1-OE2 2.82Å; R109-E115 PolarHBondContact NH1-OE2 2.98Å; R109-E115 IonicContact NH2-OE1 3.52Å; R109-E115 PolarHBondContact NH2-OE1 2.88Å; R109-E115 IonicContact NH2-OE2 3.25Å |
| 110 | I | 83.8 | Confident | 83.9 | Confident | 101 Ų | 101 | 68.1 Ų | 68.1 | 52% | 0.518 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 136 | 169.7 | -62.6 | 173.7 | 0 | 0 | 0 | 106.6 | M1 K104 | M1-I110 HydrophobicContact CE-CG2 4.4Å; K104-I110 HydrophobicContact CD-CG1 4.18Å |
| 111 | P | 84.4 | Confident | 83.9 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.032 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 147.9 | -177.4 | 22 | -21.9 | 0 | 0 | 0 | 109.9 | M1 F92 I94 W102 L116 | M1-P111 HydrophobicContact CE-CB 4.39Å; M1-P111 HydrophobicContact CE-CG 3.82Å; M1-P111 WeakPolarHBondContact CE-O 3.44Å; F92-P111 HydrophobicContact CE1-CG 4.43Å; I94-P111 HydrophobicContact CD1-CG 4.18Å; W102-P111 HydrophobicContact CD2-CB 3.73Å; W102-P111 HydrophobicContact CD2-CG 3.86Å; W102-P111 HydrophobicContact CE3-CB 4.08Å; W102-P111 HydrophobicContact CG-CB 4.23Å; W102-P111 HydrophobicContact CG-CG 3.8Å; W102-P111 HydrophobicContact CH2-CB 3.99Å; W102-P111 HydrophobicContact CZ2-CB 3.69Å; W102-P111 HydrophobicContact CZ2-CG 4.36Å; W102-P111 HydrophobicContact CZ3-CB 4.2Å; W102-P111 VanDerWaalsContact NE1-CD 3.33Å; P111-L116 HydrophobicContact CB-CB 4.47Å |
| 112 | Q | 85.5 | Confident | 84 | Confident | 112 Ų | 112 | 67.9 Ų | 67.9 | 52% | 0.523 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 150 | 166.3 | -65.5 | -176.9 | -7.8 | 0 | 0 | 109.4 | E114 E115 L116 | Q112-E114 PolarHBondContact O-N 3Å; Q112-E114 VanDerWaalsContact O-N 3.16Å; Q112-E115 HydrophobicContact CB-CG 4.2Å; Q112-E115 PolarHBondContact N-OE2 3.09Å; Q112-E115 PolarHBondContact O-N 3.4Å; Q112-E115 VanDerWaalsContact O-N 3.12Å; Q112-L116 PolarHBondContact O-N 3.31Å |
| 113 | P | 82.2 | Confident | 83.9 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -52.3 | -37.9 | 179.5 | -27.3 | 35.4 | 0 | 0 | 0 | 113.7 | M1 I4 L116 L117 | M1-P113 HydrophobicContact SD-CB 4.46Å; M1-P113 HydrophobicContact SD-CG 4.37Å; I4-P113 HydrophobicContact CD1-CB 3.73Å; I4-P113 HydrophobicContact CD1-CG 4.13Å; P113-L116 PolarHBondContact O-N 3.1Å; P113-L117 WeakPolarHBondContact O-CG 3.34Å; P113-L117 PolarHBondContact O-N 3.22Å; P113-L117 VanDerWaalsContact O-N 3.07Å |
| 114 | E | 84.6 | Confident | 83.8 | Confident | 127 Ų | 127 | 70.4 Ų | 70.4 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69 | -41.8 | -179.8 | -59.7 | 71.8 | -155.3 | 0 | 0 | 111.8 | Q112 L117 H118 | Q112-E114 PolarHBondContact O-N 3Å; Q112-E114 VanDerWaalsContact O-N 3.16Å; E114-L117 PolarHBondContact O-N 3.01Å; E114-H118 PolarHBondContact O-N 3.34Å |
| 115 | E | 83.5 | Confident | 83.6 | Confident | 53 Ų | 53 | 72.2 Ų | 72.2 | 25% | 0.248 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.5 | -68.3 | 178 | 145.3 | 0 | 0 | 110.6 | R109 Q112 L117 H118 I119 | R109-E115 IonicContact CZ-OE1 3.61Å; R109-E115 VanDerWaalsContact CZ-OE1 3.25Å; R109-E115 IonicContact CZ-OE2 2.91Å; R109-E115 IonicContact NH1-OE1 3.35Å; R109-E115 PolarHBondContact NH1-OE1 3.37Å; R109-E115 IonicContact NH1-OE2 2.82Å; R109-E115 PolarHBondContact NH1-OE2 2.98Å; R109-E115 IonicContact NH2-OE1 3.52Å; R109-E115 PolarHBondContact NH2-OE1 2.88Å; R109-E115 IonicContact NH2-OE2 3.25Å; Q112-E115 HydrophobicContact CB-CG 4.2Å; Q112-E115 PolarHBondContact N-OE2 3.09Å; Q112-E115 PolarHBondContact O-N 3.4Å; Q112-E115 VanDerWaalsContact O-N 3.12Å; E115-L117 PolarHBondContact O-N 2.97Å; E115-H118 PolarHBondContact O-N 3.3Å; E115-I119 WeakPolarHBondContact O-CG1 3.27Å; E115-I119 PolarHBondContact O-N 3.4Å |
| 116 | L | 84.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 73.4 Ų | 73.4 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 178 | 178.8 | 60.6 | 0 | 0 | 0 | 111.3 | M1 V5 I94 P111 Q112 P113 H118 I119 I120 | M1-L116 HydrophobicContact CE-CD2 4.17Å; M1-L116 HydrophobicContact SD-CD2 3.65Å; V5-L116 HydrophobicContact CG2-CD2 4.12Å; I94-L116 HydrophobicContact CD1-CD1 3.52Å; I94-L116 HydrophobicContact CD1-CD2 3.77Å; I94-L116 HydrophobicContact CD1-CG 4.28Å; I94-L116 HydrophobicContact CG2-CD1 4.26Å; P111-L116 HydrophobicContact CB-CB 4.47Å; Q112-L116 PolarHBondContact O-N 3.31Å; P113-L116 PolarHBondContact O-N 3.1Å; L116-H118 VanDerWaalsContact C-N 3.29Å; L116-H118 PolarHBondContact O-N 3.38Å; L116-I119 PolarHBondContact O-N 2.73Å; L116-I120 HydrophobicContact CD1-CD1 3.97Å; L116-I120 HydrophobicContact CD1-CG1 4.28Å; L116-I120 HydrophobicContact CG-CD1 3.85Å; L116-I120 VanDerWaalsContact O-CG1 3.27Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 2.94Å |
| 117 | L | 83.5 | Confident | 83.5 | Confident | 33 Ų | 33 | 69.7 Ų | 69.7 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 177.6 | -73.9 | 179.9 | 0 | 0 | 0 | 112.5 | I4 V5 K8 P113 E114 E115 D121 | I4-L117 HydrophobicContact CG2-CD1 3.62Å; I4-L117 HydrophobicContact CG2-CD2 4.19Å; I4-L117 HydrophobicContact CG2-CG 4.06Å; V5-L117 HydrophobicContact CG2-CD2 4.44Å; K8-L117 HydrophobicContact CB-CD2 4.32Å; K8-L117 HydrophobicContact CD-CD2 4.1Å; P113-L117 WeakPolarHBondContact O-CG 3.34Å; P113-L117 PolarHBondContact O-N 3.22Å; P113-L117 VanDerWaalsContact O-N 3.07Å; E114-L117 PolarHBondContact O-N 3.01Å; E115-L117 PolarHBondContact O-N 2.97Å; L117-D121 VanDerWaalsContact O-CB 3.27Å; L117-D121 WeakPolarHBondContact O-CB 3.26Å; L117-D121 PolarHBondContact O-N 3.46Å |
| 118 | H | 85.6 | Confident | 83.1 | Confident | 114 Ų | 114 | 71 Ų | 71 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 177.4 | -175.3 | 71.4 | 0 | 0 | 0 | 111.9 | E114 E115 L116 D121 N122 | E114-H118 PolarHBondContact O-N 3.34Å; E115-H118 PolarHBondContact O-N 3.3Å; L116-H118 VanDerWaalsContact C-N 3.29Å; L116-H118 PolarHBondContact O-N 3.38Å; H118-D121 PolarHBondContact O-N 3.3Å; H118-N122 PolarHBondContact CD2-ND2 3.47Å; H118-N122 PolarHBondContact NE2-ND2 3.06Å; H118-N122 VanDerWaalsContact O-CG 3.27Å; H118-N122 PolarHBondContact O-N 3.01Å; H118-N122 PolarHBondContact O-ND2 3.35Å |
| 119 | I | 84.4 | Confident | 82.8 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 176.8 | -65.4 | 166.1 | 0 | 0 | 0 | 110.6 | V101 W102 E115 L116 D121 N122 H123 | V101-I119 HydrophobicContact CB-CG2 3.82Å; V101-I119 HydrophobicContact CG1-CG2 4.4Å; W102-I119 HydrophobicContact CE3-CD1 3.45Å; W102-I119 VanDerWaalsContact CE3-CD1 3.45Å; W102-I119 HydrophobicContact CZ3-CD1 3.63Å; E115-I119 WeakPolarHBondContact O-CG1 3.27Å; E115-I119 PolarHBondContact O-N 3.4Å; L116-I119 PolarHBondContact O-N 2.73Å; I119-D121 VanDerWaalsContact C-N 3.34Å; I119-D121 PolarHBondContact O-N 3.42Å; I119-N122 PolarHBondContact O-N 2.88Å; I119-H123 PolarHBondContact O-CD2 3.39Å; I119-H123 PolarHBondContact O-N 3.3Å |
| 120 | I | 84.5 | Confident | 82 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 175.8 | -66.1 | 167.2 | 0 | 0 | 0 | 110.4 | V5 Y9 L96 L116 N122 H123 V124 | V5-I120 HydrophobicContact CG1-CD1 4.15Å; V5-I120 HydrophobicContact CG2-CD1 4.03Å; Y9-I120 HydrophobicContact CD2-CG2 4.11Å; Y9-I120 HydrophobicContact CE2-CG2 3.68Å; L96-I120 HydrophobicContact CD2-CG2 4.46Å; L116-I120 HydrophobicContact CD1-CD1 3.97Å; L116-I120 HydrophobicContact CD1-CG1 4.28Å; L116-I120 HydrophobicContact CG-CD1 3.85Å; L116-I120 VanDerWaalsContact O-CG1 3.27Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 2.94Å; I120-N122 VanDerWaalsContact C-N 3.3Å; I120-N122 PolarHBondContact O-N 3.14Å; I120-H123 PolarHBondContact O-N 3.08Å; I120-V124 HydrophobicContact CG2-CG2 4.18Å; I120-V124 VanDerWaalsContact O-CG2 3.31Å; I120-V124 WeakPolarHBondContact O-CG2 3.32Å; I120-V124 PolarHBondContact O-N 3.42Å |
| 121 | D | 85.4 | Confident | 81 | Confident | 35 Ų | 35 | 67 Ų | 67 | 19% | 0.187 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61 | -39.5 | 179.8 | -166.3 | 35.6 | 0 | 0 | 0 | 112 | K8 Y9 L117 H118 I119 K125 | K8-D121 IonicContact NZ-OD2 2.73Å; Y9-D121 WeakPolarHBondContact OH-CA 3.41Å; Y9-D121 PolarHBondContact OH-OD1 2.99Å; Y9-D121 VanDerWaalsContact OH-OD1 3.09Å; L117-D121 VanDerWaalsContact O-CB 3.27Å; L117-D121 WeakPolarHBondContact O-CB 3.26Å; L117-D121 PolarHBondContact O-N 3.46Å; H118-D121 PolarHBondContact O-N 3.3Å; I119-D121 VanDerWaalsContact C-N 3.34Å; I119-D121 PolarHBondContact O-N 3.42Å; D121-K125 WeakPolarHBondContact O-CB 3.35Å; D121-K125 VanDerWaalsContact O-CG 3.24Å; D121-K125 WeakPolarHBondContact O-CG 3.24Å; D121-K125 PolarHBondContact O-N 2.74Å; D121-K125 WeakPolarHBondContact OD1-CE 3.36Å; D121-K125 IonicContact OD1-NZ 2.73Å; D121-K125 WeakPolarHBondContact OD2-CE 3.31Å; D121-K125 IonicContact OD2-NZ 2.74Å; D121-K125 PolarHBondContact OD2-NZ 3.2Å |
| 122 | N | 85.4 | Confident | 80.1 | Confident | 59 Ų | 59 | 71 Ų | 71 | 32% | 0.316 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 175.1 | -68.2 | -19 | 0 | 0 | 0 | 111.7 | H118 I119 I120 K125 L126 | H118-N122 PolarHBondContact CD2-ND2 3.47Å; H118-N122 PolarHBondContact NE2-ND2 3.06Å; H118-N122 VanDerWaalsContact O-CG 3.27Å; H118-N122 PolarHBondContact O-N 3.01Å; H118-N122 PolarHBondContact O-ND2 3.35Å; I119-N122 PolarHBondContact O-N 2.88Å; I120-N122 VanDerWaalsContact C-N 3.3Å; I120-N122 PolarHBondContact O-N 3.14Å; N122-K125 PolarHBondContact O-N 3.4Å; N122-L126 VanDerWaalsContact O-CG 3.26Å; N122-L126 WeakPolarHBondContact O-CG 3.45Å; N122-L126 PolarHBondContact O-N 3.06Å |
| 123 | H | 84.3 | Confident | 78.9 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.6 | -90 | -87 | 0 | 0 | 0 | 112.6 | L96 I119 I120 L126 R127 | L96-H123 HydrophobicContact CD2-CB 3.46Å; L96-H123 VanDerWaalsContact CD2-CB 3.46Å; I119-H123 PolarHBondContact O-CD2 3.39Å; I119-H123 PolarHBondContact O-N 3.3Å; I120-H123 PolarHBondContact O-N 3.08Å; H123-L126 PolarHBondContact O-N 3.19Å; H123-R127 PolarHBondContact O-N 3.12Å |
| 124 | V | 81.6 | Confident | 77.7 | Confident | 28 Ų | 28 | 77.5 Ų | 77.5 | 17% | 0.17 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | Y9 F12 I120 L126 R127 D128 | Y9-V124 HydrophobicContact CE1-CG1 4.44Å; Y9-V124 HydrophobicContact CE1-CG2 4.35Å; F12-V124 HydrophobicContact CZ-CG2 3.99Å; I120-V124 HydrophobicContact CG2-CG2 4.18Å; I120-V124 VanDerWaalsContact O-CG2 3.31Å; I120-V124 WeakPolarHBondContact O-CG2 3.32Å; I120-V124 PolarHBondContact O-N 3.42Å; V124-L126 VanDerWaalsContact C-N 3.33Å; V124-L126 PolarHBondContact O-N 3.45Å; V124-R127 WeakPolarHBondContact O-CB 3.46Å; V124-R127 PolarHBondContact O-N 3.36Å; V124-R127 VanDerWaalsContact O-N 3.14Å; V124-D128 PolarHBondContact O-N 2.78Å |
| 125 | K | 81.7 | Confident | 76.4 | Confident | 107 Ų | 107 | 75.9 Ų | 75.9 | 47% | 0.465 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 177 | -75.3 | 171.6 | -171 | 162.7 | 0 | 113.1 | D121 N122 D128 S129 | D121-K125 WeakPolarHBondContact O-CB 3.35Å; D121-K125 VanDerWaalsContact O-CG 3.24Å; D121-K125 WeakPolarHBondContact O-CG 3.24Å; D121-K125 PolarHBondContact O-N 2.74Å; D121-K125 WeakPolarHBondContact OD1-CE 3.36Å; D121-K125 IonicContact OD1-NZ 2.73Å; D121-K125 WeakPolarHBondContact OD2-CE 3.31Å; D121-K125 IonicContact OD2-NZ 2.74Å; D121-K125 PolarHBondContact OD2-NZ 3.2Å; N122-K125 PolarHBondContact O-N 3.4Å; K125-D128 PolarHBondContact O-N 2.99Å; K125-S129 WeakPolarHBondContact O-CB 3.4Å; K125-S129 PolarHBondContact O-N 3.49Å; K125-S129 PolarHBondContact O-OG 3.42Å |
| 126 | L | 79.7 | Confident | 75.3 | Confident | 113 Ų | 113 | 78.7 Ų | 78.7 | 59% | 0.592 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 175.2 | -72.1 | 171.1 | 0 | 0 | 0 | 110.8 | N122 H123 V124 D128 S129 T130 | N122-L126 VanDerWaalsContact O-CG 3.26Å; N122-L126 WeakPolarHBondContact O-CG 3.45Å; N122-L126 PolarHBondContact O-N 3.06Å; H123-L126 PolarHBondContact O-N 3.19Å; V124-L126 VanDerWaalsContact C-N 3.33Å; V124-L126 PolarHBondContact O-N 3.45Å; L126-D128 PolarHBondContact O-N 3.08Å; L126-S129 PolarHBondContact O-N 3.31Å; L126-T130 PolarHBondContact O-N 3.09Å; L126-T130 PolarHBondContact O-OG1 2.86Å; L126-T130 VanDerWaalsContact O-OG1 3.08Å |
| 127 | R | 76.9 | Confident | 74 | Confident | 117 Ų | 117 | 80.6 Ų | 80.6 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 177.6 | -162.1 | 177 | 90 | 163.7 | 7.5 | 112.4 | D97 H123 V124 K131 | D97-R127 IonicContact OD1-NH1 3.71Å; D97-R127 IonicContact OD2-CZ 3.82Å; D97-R127 IonicContact OD2-NH1 3.84Å; D97-R127 PolarHBondContact OD2-NH1 2.68Å; H123-R127 PolarHBondContact O-N 3.12Å; V124-R127 WeakPolarHBondContact O-CB 3.46Å; V124-R127 PolarHBondContact O-N 3.36Å; V124-R127 VanDerWaalsContact O-N 3.14Å; R127-K131 PolarHBondContact O-N 3.45Å |
| 128 | D | 76.5 | Confident | 72.7 | Confident | 81 Ų | 81 | 84.8 Ų | 84.8 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 179.2 | -69.9 | -19.4 | 0 | 0 | 0 | 111.6 | V124 K125 L126 T130 K131 T132 | V124-D128 PolarHBondContact O-N 2.78Å; K125-D128 PolarHBondContact O-N 2.99Å; L126-D128 PolarHBondContact O-N 3.08Å; D128-T130 PolarHBondContact O-N 3.16Å; D128-K131 PolarHBondContact O-N 3.24Å; D128-T132 PolarHBondContact O-N 3.46Å; D128-T132 VanDerWaalsContact O-N 3.16Å; D128-T132 PolarHBondContact O-OG1 3.26Å |
| 129 | S | 74.6 | Confident | 71.3 | Confident | 67 Ų | 67 | 85.3 Ų | 85.3 | 47% | 0.469 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176 | -58 | 0 | 0 | 0 | 0 | 112.2 | K125 L126 K131 T132 I133 | K125-S129 WeakPolarHBondContact O-CB 3.4Å; K125-S129 PolarHBondContact O-N 3.49Å; K125-S129 PolarHBondContact O-OG 3.42Å; L126-S129 PolarHBondContact O-N 3.31Å; S129-K131 VanDerWaalsContact C-N 3.33Å; S129-K131 PolarHBondContact O-N 2.98Å; S129-T132 PolarHBondContact O-N 3.15Å; S129-I133 PolarHBondContact O-N 3.46Å; S129-I133 VanDerWaalsContact O-N 3.15Å |
| 130 | T | 69.3 | Low | 69.8 | Low | 80 Ų | 80 | 95.4 Ų | 95.4 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 176.7 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | L126 D128 I133 Q134 | L126-T130 PolarHBondContact O-N 3.09Å; L126-T130 PolarHBondContact O-OG1 2.86Å; L126-T130 VanDerWaalsContact O-OG1 3.08Å; D128-T130 PolarHBondContact O-N 3.16Å; T130-I133 PolarHBondContact O-N 3.25Å; T130-Q134 PolarHBondContact O-N 3.26Å; T130-Q134 VanDerWaalsContact O-N 3.13Å |
| 131 | K | 62.2 | Low | 69.1 | Low | 126 Ų | 126 | 99.9 Ų | 99.9 | 55% | 0.548 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -39.6 | 174.8 | -74.2 | -176.3 | 178.8 | -177.1 | 0 | 112.2 | R127 D128 S129 Q134 S135 | R127-K131 PolarHBondContact O-N 3.45Å; D128-K131 PolarHBondContact O-N 3.24Å; S129-K131 VanDerWaalsContact C-N 3.33Å; S129-K131 PolarHBondContact O-N 2.98Å; K131-Q134 PolarHBondContact O-N 3.28Å; K131-S135 PolarHBondContact O-N 3.13Å; K131-S135 VanDerWaalsContact O-N 3.11Å |
| 132 | T | 65.3 | Low | 68.2 | Low | 89 Ų | 89 | 103.3 Ų | 103.3 | 55% | 0.546 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.3 | -43.1 | 177.3 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | D128 S129 Q134 S135 V136 | D128-T132 PolarHBondContact O-N 3.46Å; D128-T132 VanDerWaalsContact O-N 3.16Å; D128-T132 PolarHBondContact O-OG1 3.26Å; S129-T132 PolarHBondContact O-N 3.15Å; T132-Q134 PolarHBondContact O-N 3.33Å; T132-S135 PolarHBondContact O-N 3.47Å; T132-S135 PolarHBondContact O-OG 3.43Å; T132-V136 PolarHBondContact O-N 2.75Å |
| 133 | I | 61.8 | Low | 67.2 | Low | 129 Ų | 129 | 105.8 Ų | 105.8 | 66% | 0.662 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.3 | -38.9 | 179.1 | -63.3 | -179.5 | 0 | 0 | 0 | 111.6 | S129 T130 S135 V136 | S129-I133 PolarHBondContact O-N 3.46Å; S129-I133 VanDerWaalsContact O-N 3.15Å; T130-I133 PolarHBondContact O-N 3.25Å; I133-S135 VanDerWaalsContact C-N 3.33Å; I133-S135 PolarHBondContact O-N 3.11Å; I133-V136 PolarHBondContact O-N 3.45Å |
| 134 | Q | 56.9 | Low | 66.2 | Low | 161 Ų | 161 | 108.5 Ų | 108.5 | 75% | 0.752 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.6 | -23.2 | 177.3 | -70.6 | -166.4 | -11.5 | 0 | 0 | 113.9 | T130 K131 T132 V136 | T130-Q134 PolarHBondContact O-N 3.26Å; T130-Q134 VanDerWaalsContact O-N 3.13Å; K131-Q134 PolarHBondContact O-N 3.28Å; T132-Q134 PolarHBondContact O-N 3.33Å; Q134-V136 VanDerWaalsContact C-N 3.3Å |
| 135 | S | 57.7 | Low | 65.3 | Low | 94 Ų | 94 | 113.5 Ų | 113.5 | 66% | 0.657 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.7 | -16.5 | 173.7 | 69.6 | 0 | 0 | 0 | 0 | 114 | K131 T132 I133 G137 | K131-S135 PolarHBondContact O-N 3.13Å; K131-S135 VanDerWaalsContact O-N 3.11Å; T132-S135 PolarHBondContact O-N 3.47Å; T132-S135 PolarHBondContact O-OG 3.43Å; I133-S135 VanDerWaalsContact C-N 3.33Å; I133-S135 PolarHBondContact O-N 3.11Å; S135-G137 VanDerWaalsContact C-N 3.28Å; S135-G137 PolarHBondContact O-N 3.14Å; S135-G137 VanDerWaalsContact O-N 3.14Å |
| 136 | V | 59.7 | Low | 64.2 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 67% | 0.673 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -87.8 | 76.3 | 170.5 | -172.5 | 0 | 0 | 0 | 0 | 107.4 | T132 I133 Q134 | T132-V136 PolarHBondContact O-N 2.75Å; I133-V136 PolarHBondContact O-N 3.45Å; Q134-V136 VanDerWaalsContact C-N 3.3Å |
| 137 | G | 56.7 | Low | 63.1 | Low | 46 Ų | 46 | 114 Ų | 114 | 47% | 0.474 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 152.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S135 | S135-G137 VanDerWaalsContact C-N 3.28Å; S135-G137 PolarHBondContact O-N 3.14Å; S135-G137 VanDerWaalsContact O-N 3.14Å |
| 138 | P | 57.9 | Low | 62 | Low | 121 Ų | 121 | 113.8 Ų | 113.8 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 140.8 | -178.4 | 23.2 | -32.1 | 0 | 0 | 0 | 109.9 | L140 | P138-L140 PolarHBondContact O-N 3.35Š|
| 139 | P | 55.8 | Low | 60.8 | Low | 125 Ų | 125 | 116.5 Ų | 116.5 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 135.9 | 171.2 | 25.3 | -31.4 | 0 | 0 | 0 | 108.4 | ||
| 140 | L | 52 | Low | 59.6 | Low | 249 Ų | 249 | 121 Ų | 121 | 100% | 1.304 | 70% | 0.7 | S | S | * | * | trans | -49.8 | 0 | 170.6 | -73.7 | 170.2 | 0 | 0 | 0 | 111.4 | P138 | P138-L140 PolarHBondContact O-N 3.35Š|
Retrieved 140 of 140 residues in 59 ms
(Link to these results)