| 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 | 32.4 | Very low | 57.2 | Low | 241 Ų | 241 | 145 Ų | 145 | 100% | 1.187 | 72% | 0.723 | S | S | * | * | 0 | 78.7 | 0 | -69.4 | -171.3 | -120.7 | 0 | 0 | 108 | |||||
| 2 | E | 35.1 | Very low | 59.5 | Low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | trans | -107.2 | 38.6 | 167 | -82.7 | -174.6 | 112.8 | 0 | 0 | 109.1 | Y4 | E2-Y4 PolarHBondContact O-N 3.12Å; E2-Y4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | E | 39.9 | Very low | 61.7 | Low | 189 Ų | 189 | 128.4 Ų | 128.4 | 88% | 0.883 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 50.2 | -178.6 | -154.7 | 162.8 | 139.1 | 0 | 0 | 109.6 | ||
| 4 | Y | 40.6 | Very low | 63.8 | Low | 228 Ų | 228 | 125.5 Ų | 125.5 | 89% | 0.894 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.4 | 16.8 | 177.7 | -136.4 | -90.1 | 0 | 0 | 0 | 114.1 | E2 | E2-Y4 PolarHBondContact O-N 3.12Å; E2-Y4 VanDerWaalsContact O-N 3.16Å |
| 5 | A | 47.9 | Very low | 65.7 | Low | 99 Ų | 99 | 123.6 Ų | 123.6 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -104.7 | 1.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 6 | R | 54 | Low | 67.3 | Low | 116 Ų | 116 | 118.7 Ų | 118.7 | 44% | 0.438 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -122.2 | 113.5 | -176.3 | -148.6 | 167.3 | 172.6 | 86.9 | -5.8 | 108.8 | R12 D77 E87 | R6-R12 VanDerWaalsContact NH1-NH2 3.15Å; R6-R12 VanDerWaalsContact NH2-CZ 3.26Å; R6-D77 IonicContact NH2-OD2 3.6Å; R6-D77 PolarHBondContact NH2-OD2 3.05Å; R6-E87 IonicContact NE-OE1 3.98Å; R6-E87 IonicContact NE-OE2 2.93Å |
| 7 | E | 60 | Low | 68.8 | Low | 110 Ų | 110 | 114 Ų | 114 | 51% | 0.514 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -49.4 | 132.5 | 174.8 | -70.6 | -90.4 | 154.7 | 0 | 0 | 110.2 | W11 R12 | E7-W11 HydrophobicContact CB-CB 4.5Å; E7-R12 HydrophobicContact CB-CB 4.22Å |
| 8 | P | 72 | Confident | 70.2 | Confident | 96 Ų | 96 | 109.6 Ų | 109.6 | 62% | 0.623 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 141.2 | 179.5 | 25.1 | -32.4 | 0 | 0 | 0 | 110.9 | W11 | P8-W11 PolarHBondContact O-N 3.41Š|
| 9 | C | 79.6 | Confident | 71.5 | Confident | 72 Ų | 72 | 105.5 Ų | 105.5 | 49% | 0.486 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | 118.3 | 166.9 | -49.2 | 0 | 0 | 0 | 0 | 107.1 | C78 | C9-C78 HydrophobicContact CB-CB 3.84Å; C9-C78 WeakPolarHBondContact CB-SG 3.42Å; C9-C78 WeakPolarHBondContact SG-CB 3.12Å; C9-C78 CovalentContact SG-SG 2.04Å; C9-C78 PolarHBondContact SG-SG 3.13Å |
| 10 | P | 81.6 | Confident | 72.6 | Confident | 93 Ų | 93 | 101.1 Ų | 101.1 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -107.8 | -5.9 | 36.2 | 38.3 | -35.9 | 0 | 0 | 0 | 116.7 | R12 I13 V14 | P10-R12 PolarHBondContact O-N 3.02Å; P10-I13 WeakPolarHBondContact O-CB 3.35Å; P10-I13 PolarHBondContact O-N 3.34Å; P10-V14 PolarHBondContact O-N 2.86Å |
| 11 | W | 86.1 | Confident | 73.7 | Confident | 158 Ų | 158 | 100.5 Ų | 100.5 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.5 | -40.3 | -174.1 | -118.2 | 117.2 | 0 | 0 | 0 | 111.7 | E7 P8 I13 V14 D15 | E7-W11 HydrophobicContact CB-CB 4.5Å; P8-W11 PolarHBondContact O-N 3.41Å; W11-I13 VanDerWaalsContact C-N 3.27Å; W11-I13 PolarHBondContact O-N 3.03Å; W11-V14 HydrophobicContact CE3-CB 4.38Å; W11-V14 HydrophobicContact CZ3-CG1 4.35Å; W11-V14 WeakPolarHBondContact O-CB 3.39Å; W11-V14 PolarHBondContact O-N 2.82Å; W11-D15 PolarHBondContact O-N 3.43Å |
| 12 | R | 84.8 | Confident | 76.8 | Confident | 37 Ų | 37 | 92.4 Ų | 92.4 | 14% | 0.14 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -56.9 | -34.9 | 175.9 | -163.6 | -122.8 | 179.6 | 77.3 | 8.2 | 114.5 | R6 E7 P10 D16 | R6-R12 VanDerWaalsContact NH1-NH2 3.15Å; R6-R12 VanDerWaalsContact NH2-CZ 3.26Å; E7-R12 HydrophobicContact CB-CB 4.22Å; P10-R12 PolarHBondContact O-N 3.02Å; R12-D16 WeakPolarHBondContact CD-OD2 3.25Å; R12-D16 IonicContact CZ-OD2 3.88Å; R12-D16 IonicContact NE-OD2 3.04Å; R12-D16 PolarHBondContact NE-OD2 3.14Å; R12-D16 VanDerWaalsContact O-CB 3.27Å; R12-D16 WeakPolarHBondContact O-CB 3.33Å; R12-D16 VanDerWaalsContact O-CG 3.25Å; R12-D16 PolarHBondContact O-N 3.26Å |
| 13 | I | 88.6 | Confident | 79.6 | Confident | 37 Ų | 37 | 90.2 Ų | 90.2 | 19% | 0.19 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 177.2 | -61.6 | 161.2 | 0 | 0 | 0 | 109.8 | P10 W11 C17 M75 | P10-I13 WeakPolarHBondContact O-CB 3.35Å; P10-I13 PolarHBondContact O-N 3.34Å; W11-I13 VanDerWaalsContact C-N 3.27Å; W11-I13 PolarHBondContact O-N 3.03Å; I13-C17 VanDerWaalsContact O-CB 3.28Å; I13-C17 WeakPolarHBondContact O-CB 3.45Å; I13-C17 PolarHBondContact O-N 3.39Å; I13-C17 PolarHBondContact O-SG 3.32Å; I13-M75 HydrophobicContact CD1-CG 3.82Å; I13-M75 HydrophobicContact CG1-CG 4.19Å; I13-M75 HydrophobicContact CG2-CG 3.89Å |
| 14 | V | 91 | Very high | 82.2 | Confident | 88 Ų | 88 | 81.3 Ų | 81.3 | 53% | 0.533 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 179.7 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | P10 W11 C17 G18 | P10-V14 PolarHBondContact O-N 2.86Å; W11-V14 HydrophobicContact CE3-CB 4.38Å; W11-V14 HydrophobicContact CZ3-CG1 4.35Å; W11-V14 WeakPolarHBondContact O-CB 3.39Å; W11-V14 PolarHBondContact O-N 2.82Å; V14-C17 PolarHBondContact O-N 3.3Å; V14-G18 PolarHBondContact O-N 3.1Å |
| 15 | D | 92 | Very high | 84.8 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 177 | -167.8 | 61.6 | 0 | 0 | 0 | 111.5 | W11 C17 G18 G19 | W11-D15 PolarHBondContact O-N 3.43Å; D15-C17 PolarHBondContact O-N 3.15Å; D15-G18 PolarHBondContact O-N 3.05Å; D15-G19 PolarHBondContact O-N 3.41Å |
| 16 | D | 91.4 | Very high | 87.1 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 178 | -73.9 | -29.8 | 0 | 0 | 0 | 111.9 | R12 A20 S74 | R12-D16 WeakPolarHBondContact CD-OD2 3.25Å; R12-D16 IonicContact CZ-OD2 3.88Å; R12-D16 IonicContact NE-OD2 3.04Å; R12-D16 PolarHBondContact NE-OD2 3.14Å; R12-D16 VanDerWaalsContact O-CB 3.27Å; R12-D16 WeakPolarHBondContact O-CB 3.33Å; R12-D16 VanDerWaalsContact O-CG 3.25Å; R12-D16 PolarHBondContact O-N 3.26Å; D16-A20 WeakPolarHBondContact O-CB 3.39Å; D16-A20 PolarHBondContact O-N 2.86Å; D16-S74 WeakPolarHBondContact CB-OG 3.21Å; D16-S74 WeakPolarHBondContact OD2-CB 3.31Å; D16-S74 PolarHBondContact OD2-OG 2.87Å |
| 17 | C | 92.7 | Very high | 89 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.3 | -50.5 | 172.4 | -75.2 | 0 | 0 | 0 | 0 | 111.8 | I13 V14 D15 F21 G71 | I13-C17 VanDerWaalsContact O-CB 3.28Å; I13-C17 WeakPolarHBondContact O-CB 3.45Å; I13-C17 PolarHBondContact O-N 3.39Å; I13-C17 PolarHBondContact O-SG 3.32Å; V14-C17 PolarHBondContact O-N 3.3Å; D15-C17 PolarHBondContact O-N 3.15Å; C17-F21 WeakPolarHBondContact O-CB 3.49Å; C17-F21 PolarHBondContact O-N 2.88Å; C17-G71 WeakPolarHBondContact SG-CA 3.35Å |
| 18 | G | 93.8 | Very high | 90.6 | Very high | 34 Ų | 34 | 63 Ų | 63 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V14 D15 F21 T22 | V14-G18 PolarHBondContact O-N 3.1Å; D15-G18 PolarHBondContact O-N 3.05Å; G18-F21 PolarHBondContact O-N 3.21Å; G18-T22 WeakPolarHBondContact O-CB 3.46Å; G18-T22 PolarHBondContact O-N 3.2Å; G18-T22 PolarHBondContact O-OG1 3.03Å |
| 19 | G | 94.2 | Very high | 91.7 | Very high | 32 Ų | 32 | 59 Ų | 59 | 33% | 0.33 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60 | -50.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D15 F21 T22 M23 | D15-G19 PolarHBondContact O-N 3.41Å; G19-F21 PolarHBondContact O-N 3.31Å; G19-T22 PolarHBondContact O-N 3.5Å; G19-M23 WeakPolarHBondContact O-CG 3.41Å; G19-M23 PolarHBondContact O-N 2.93Å |
| 20 | A | 94.6 | Very high | 92.5 | Very high | 17 Ų | 17 | 60.8 Ų | 60.8 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D16 T22 M23 G24 F66 | D16-A20 WeakPolarHBondContact O-CB 3.39Å; D16-A20 PolarHBondContact O-N 2.86Å; A20-T22 VanDerWaalsContact C-N 3.34Å; A20-T22 PolarHBondContact O-N 3.12Å; A20-M23 PolarHBondContact O-N 3.36Å; A20-G24 PolarHBondContact O-N 3.26Å; A20-F66 HydrophobicContact CB-CB 4.33Å; A20-F66 VanDerWaalsContact CB-O 3.31Å; A20-F66 WeakPolarHBondContact CB-O 3.19Å; A20-F66 VanDerWaalsContact O-CB 3.29Å; A20-F66 WeakPolarHBondContact O-CB 3.39Å |
| 21 | F | 96.4 | Very high | 93.1 | Very high | 89 Ų | 89 | 62.2 Ų | 62.2 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.7 | -49.3 | 173.5 | 179.5 | -98.2 | 0 | 0 | 0 | 111.4 | C17 G18 G19 G24 A25 G63 A67 | C17-F21 WeakPolarHBondContact O-CB 3.49Å; C17-F21 PolarHBondContact O-N 2.88Å; G18-F21 PolarHBondContact O-N 3.21Å; G19-F21 PolarHBondContact O-N 3.31Å; F21-G24 PolarHBondContact O-N 2.04Å; F21-A25 HydrophobicContact CE1-CB 4.29Å; F21-A25 VanDerWaalsContact O-CB 3.24Å; F21-A25 WeakPolarHBondContact O-CB 3.34Å; F21-A25 PolarHBondContact O-N 3.05Å; F21-G63 WeakPolarHBondContact CD2-O 3.4Å; F21-A67 HydrophobicContact CB-CB 3.84Å; F21-A67 HydrophobicContact CD2-CB 4.18Å |
| 22 | T | 95.9 | Very high | 93.4 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 44% | 0.436 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | -176.7 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | G18 G19 A20 G24 A25 I26 | G18-T22 WeakPolarHBondContact O-CB 3.46Å; G18-T22 PolarHBondContact O-N 3.2Å; G18-T22 PolarHBondContact O-OG1 3.03Å; G19-T22 PolarHBondContact O-N 3.5Å; A20-T22 VanDerWaalsContact C-N 3.34Å; A20-T22 PolarHBondContact O-N 3.12Å; T22-G24 VanDerWaalsContact C-N 3.35Å; T22-G24 PolarHBondContact O-N 2.91Å; T22-A25 PolarHBondContact O-N 3.28Å; T22-I26 HydrophobicContact CG2-CD1 3.68Å; T22-I26 HydrophobicContact CG2-CG1 4.36Å; T22-I26 WeakPolarHBondContact O-CB 3.31Å; T22-I26 VanDerWaalsContact O-CG1 3.3Å; T22-I26 WeakPolarHBondContact O-CG1 3.26Å; T22-I26 PolarHBondContact O-N 2.91Å |
| 23 | M | 94.8 | Very high | 93.8 | Very high | 147 Ų | 147 | 55.8 Ų | 55.8 | 72% | 0.724 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.1 | -45.6 | 174.2 | -69.7 | -163 | -170.9 | 0 | 0 | 111.7 | G19 A20 G27 | G19-M23 WeakPolarHBondContact O-CG 3.41Å; G19-M23 PolarHBondContact O-N 2.93Å; A20-M23 PolarHBondContact O-N 3.36Å; M23-G27 PolarHBondContact O-N 2.93Å |
| 24 | G | 94.1 | Very high | 94 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A20 F21 T22 G28 | A20-G24 PolarHBondContact O-N 3.26Å; F21-G24 PolarHBondContact O-N 2.04Å; T22-G24 VanDerWaalsContact C-N 3.35Å; T22-G24 PolarHBondContact O-N 2.91Å; G24-G28 VanDerWaalsContact O-CA 3.29Å; G24-G28 WeakPolarHBondContact O-CA 3.19Å; G24-G28 PolarHBondContact O-N 3.48Å |
| 25 | A | 95.8 | Very high | 94 | Very high | 25 Ų | 25 | 59.2 Ų | 59.2 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.8 | -43.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F21 T22 G29 | F21-A25 HydrophobicContact CE1-CB 4.29Å; F21-A25 VanDerWaalsContact O-CB 3.24Å; F21-A25 WeakPolarHBondContact O-CB 3.34Å; F21-A25 PolarHBondContact O-N 3.05Å; T22-A25 PolarHBondContact O-N 3.28Å; A25-G29 WeakPolarHBondContact O-CA 3.12Å; A25-G29 PolarHBondContact O-N 2.87Å |
| 26 | I | 95.8 | Very high | 93.9 | Very high | 104 Ų | 104 | 55 Ų | 55 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.6 | -52.4 | 177.5 | -65.5 | 172.6 | 0 | 0 | 0 | 110 | T22 G28 G29 I30 | T22-I26 HydrophobicContact CG2-CD1 3.68Å; T22-I26 HydrophobicContact CG2-CG1 4.36Å; T22-I26 WeakPolarHBondContact O-CB 3.31Å; T22-I26 VanDerWaalsContact O-CG1 3.3Å; T22-I26 WeakPolarHBondContact O-CG1 3.26Å; T22-I26 PolarHBondContact O-N 2.91Å; I26-G28 PolarHBondContact O-N 3.29Å; I26-G29 PolarHBondContact O-N 3.09Å; I26-I30 HydrophobicContact CG2-CD1 4.03Å; I26-I30 WeakPolarHBondContact O-CG1 3.32Å; I26-I30 PolarHBondContact O-N 2.9Å |
| 27 | G | 94.4 | Very high | 93.8 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M23 I30 F31 | M23-G27 PolarHBondContact O-N 2.93Å; G27-I30 PolarHBondContact O-N 3.15Å; G27-F31 WeakPolarHBondContact O-CB 3.28Å; G27-F31 PolarHBondContact O-N 3.27Å |
| 28 | G | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G24 I26 Q32 | G24-G28 VanDerWaalsContact O-CA 3.29Å; G24-G28 WeakPolarHBondContact O-CA 3.19Å; G24-G28 PolarHBondContact O-N 3.48Å; I26-G28 PolarHBondContact O-N 3.29Å; G28-Q32 WeakPolarHBondContact O-CB 3.5Å; G28-Q32 WeakPolarHBondContact O-CG 3.47Å; G28-Q32 PolarHBondContact O-N 3.05Å |
| 29 | G | 95 | Very high | 93.5 | Very high | 11 Ų | 11 | 68.6 Ų | 68.6 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59 | -51.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A25 I26 Q32 A33 | A25-G29 WeakPolarHBondContact O-CA 3.12Å; A25-G29 PolarHBondContact O-N 2.87Å; I26-G29 PolarHBondContact O-N 3.09Å; G29-Q32 PolarHBondContact O-N 3.01Å; G29-A33 VanDerWaalsContact O-CB 3.24Å; G29-A33 WeakPolarHBondContact O-CB 3Å; G29-A33 PolarHBondContact O-N 3.05Å |
| 30 | I | 95.4 | Very high | 93.3 | Very high | 111 Ų | 111 | 68 Ų | 68 | 57% | 0.569 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.3 | -48.7 | 179 | -64.4 | 166.2 | 0 | 0 | 0 | 110.7 | I26 G27 Q32 A33 V34 | I26-I30 HydrophobicContact CG2-CD1 4.03Å; I26-I30 WeakPolarHBondContact O-CG1 3.32Å; I26-I30 PolarHBondContact O-N 2.9Å; G27-I30 PolarHBondContact O-N 3.15Å; I30-Q32 VanDerWaalsContact C-N 3.34Å; I30-Q32 PolarHBondContact O-N 2.62Å; I30-A33 WeakPolarHBondContact O-CB 3.37Å; I30-A33 PolarHBondContact O-N 3.28Å; I30-V34 PolarHBondContact O-N 3.5Å; I30-V34 VanDerWaalsContact O-N 3.15Å |
| 31 | F | 93.9 | Very high | 92.8 | Very high | 122 Ų | 122 | 71.5 Ų | 71.5 | 54% | 0.535 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | -179.3 | -178.5 | -102.1 | 0 | 0 | 0 | 111.9 | G27 V34 K35 | G27-F31 WeakPolarHBondContact O-CB 3.28Å; G27-F31 PolarHBondContact O-N 3.27Å; F31-V34 PolarHBondContact O-N 3.07Å; F31-K35 HydrophobicContact CE1-CD 3.94Å; F31-K35 HydrophobicContact CZ-CD 4.33Å; F31-K35 VanDerWaalsContact O-CB 3.3Å; F31-K35 WeakPolarHBondContact O-CB 3.42Å; F31-K35 PolarHBondContact O-N 3.5Å |
| 32 | Q | 94.3 | Very high | 92 | Very high | 34 Ų | 34 | 71.5 Ų | 71.5 | 16% | 0.159 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -74.7 | -26 | 179.9 | -64.3 | -66 | 101 | 0 | 0 | 112.5 | G28 G29 I30 G36 R58 | G28-Q32 WeakPolarHBondContact O-CB 3.5Å; G28-Q32 WeakPolarHBondContact O-CG 3.47Å; G28-Q32 PolarHBondContact O-N 3.05Å; G29-Q32 PolarHBondContact O-N 3.01Å; I30-Q32 VanDerWaalsContact C-N 3.34Å; I30-Q32 PolarHBondContact O-N 2.62Å; Q32-G36 WeakPolarHBondContact O-CA 3.44Å; Q32-G36 PolarHBondContact O-N 2.93Å; Q32-R58 HydrophobicContact CG-CB 3.87Å; Q32-R58 VanDerWaalsContact NE2-CB 3.27Å |
| 33 | A | 92.5 | Very high | 91.4 | Very high | 26 Ų | 26 | 69.7 Ų | 69.7 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.1 | -50.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G29 I30 F37 S51 I55 | G29-A33 VanDerWaalsContact O-CB 3.24Å; G29-A33 WeakPolarHBondContact O-CB 3Å; G29-A33 PolarHBondContact O-N 3.05Å; I30-A33 WeakPolarHBondContact O-CB 3.37Å; I30-A33 PolarHBondContact O-N 3.28Å; A33-F37 VanDerWaalsContact O-CB 3.3Å; A33-F37 WeakPolarHBondContact O-CB 3.46Å; A33-F37 PolarHBondContact O-N 3.46Å; A33-S51 VanDerWaalsContact CA-OG 3.29Å; A33-S51 WeakPolarHBondContact CA-OG 3.43Å; A33-S51 PolarHBondContact O-OG 3.22Å; A33-I55 HydrophobicContact CB-CD1 3.54Å; A33-I55 HydrophobicContact CB-CG1 3.87Å |
| 34 | V | 92.8 | Very high | 91 | Very high | 82 Ų | 82 | 68.8 Ų | 68.8 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.7 | -48.9 | 179 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | I30 F31 G36 F37 R38 | I30-V34 PolarHBondContact O-N 3.5Å; I30-V34 VanDerWaalsContact O-N 3.15Å; F31-V34 PolarHBondContact O-N 3.07Å; V34-G36 PolarHBondContact O-N 3.23Å; V34-F37 PolarHBondContact O-N 3.37Å; V34-R38 WeakPolarHBondContact O-CG 3.17Å; V34-R38 PolarHBondContact O-N 3.46Å |
| 35 | K | 91.2 | Very high | 90.6 | Very high | 116 Ų | 116 | 72.1 Ų | 72.1 | 50% | 0.504 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 179.6 | -172.7 | 172.9 | -178 | 167.7 | 0 | 111.8 | F31 R38 N39 | F31-K35 HydrophobicContact CE1-CD 3.94Å; F31-K35 HydrophobicContact CZ-CD 4.33Å; F31-K35 VanDerWaalsContact O-CB 3.3Å; F31-K35 WeakPolarHBondContact O-CB 3.42Å; F31-K35 PolarHBondContact O-N 3.5Å; K35-R38 PolarHBondContact O-N 3.4Å; K35-N39 VanDerWaalsContact O-CB 3.26Å; K35-N39 WeakPolarHBondContact O-CB 3.12Å; K35-N39 PolarHBondContact O-N 2.9Å |
| 36 | G | 89.4 | Confident | 90.2 | Very high | 8 Ų | 8 | 76.1 Ų | 76.1 | 8% | 0.082 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q32 V34 S40 | Q32-G36 WeakPolarHBondContact O-CA 3.44Å; Q32-G36 PolarHBondContact O-N 2.93Å; V34-G36 PolarHBondContact O-N 3.23Å; G36-S40 VanDerWaalsContact O-CB 3.31Å; G36-S40 WeakPolarHBondContact O-CB 3.31Å; G36-S40 PolarHBondContact O-N 3Å; G36-S40 PolarHBondContact O-OG 2.66Å |
| 37 | F | 89.9 | Confident | 89.9 | Confident | 63 Ų | 63 | 75.4 Ų | 75.4 | 28% | 0.276 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 175.5 | -171.8 | -91.8 | 0 | 0 | 0 | 112.3 | A33 V34 M44 R47 L48 | A33-F37 VanDerWaalsContact O-CB 3.3Å; A33-F37 WeakPolarHBondContact O-CB 3.46Å; A33-F37 PolarHBondContact O-N 3.46Å; V34-F37 PolarHBondContact O-N 3.37Å; F37-M44 HydrophobicContact CE2-SD 3.9Å; F37-M44 HydrophobicContact CZ-SD 3.92Å; F37-R47 HydrophobicContact CD2-CB 3.62Å; F37-R47 HydrophobicContact CE2-CB 3.57Å; F37-R47 HydrophobicContact CE2-CG 4.49Å; F37-R47 HydrophobicContact CG-CB 4.25Å; F37-R47 HydrophobicContact CZ-CB 4.17Å; F37-L48 HydrophobicContact CD2-CD2 4.46Å; F37-L48 HydrophobicContact CE2-CD2 4.3Å |
| 38 | R | 89.2 | Confident | 89.7 | Confident | 200 Ų | 200 | 78.3 Ų | 78.3 | 76% | 0.755 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -71.1 | -35.8 | -179.8 | -71.5 | 177.6 | 68.4 | 170.8 | 1.8 | 113.5 | V34 K35 | V34-R38 WeakPolarHBondContact O-CG 3.17Å; V34-R38 PolarHBondContact O-N 3.46Å; K35-R38 PolarHBondContact O-N 3.4Å |
| 39 | N | 90.4 | Very high | 89.6 | Confident | 141 Ų | 141 | 85.5 Ų | 85.5 | 75% | 0.754 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -89.6 | -3.3 | -175.4 | -159.8 | 59.9 | 0 | 0 | 0 | 113.8 | K35 | K35-N39 VanDerWaalsContact O-CB 3.26Å; K35-N39 WeakPolarHBondContact O-CB 3.12Å; K35-N39 PolarHBondContact O-N 2.9Å |
| 40 | S | 89.4 | Confident | 89.3 | Confident | 18 Ų | 18 | 86 Ų | 86 | 13% | 0.126 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -86.7 | 150 | -179.8 | -69.6 | 0 | 0 | 0 | 0 | 112.4 | G36 G50 | G36-S40 VanDerWaalsContact O-CB 3.31Å; G36-S40 WeakPolarHBondContact O-CB 3.31Å; G36-S40 PolarHBondContact O-N 3Å; G36-S40 PolarHBondContact O-OG 2.66Å; S40-G50 WeakPolarHBondContact OG-CA 3.42Å |
| 41 | P | 84.3 | Confident | 89.2 | Confident | 92 Ų | 92 | 81.3 Ų | 81.3 | 60% | 0.597 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 155.3 | -179.7 | 21.2 | -31 | 0 | 0 | 0 | 112.5 | G43 H46 R47 | P41-G43 PolarHBondContact O-N 3.39Å; P41-H46 HydrophobicContact CG-CB 4.31Å; P41-R47 WeakPolarHBondContact O-CG 3.48Å |
| 42 | A | 79.8 | Confident | 89.1 | Confident | 89 Ų | 89 | 81.6 Ų | 81.6 | 74% | 0.736 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -58.5 | 134.9 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 43 | G | 83.7 | Confident | 89 | Confident | 33 Ų | 33 | 84.1 Ų | 84.1 | 34% | 0.34 | 45% | 0.453 | S | S | . | . | S | Bend | trans | 127.5 | 126.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P41 S45 H46 R47 | P41-G43 PolarHBondContact O-N 3.39Å; G43-S45 VanDerWaalsContact C-N 3.31Å; G43-S45 PolarHBondContact O-N 3.48Å; G43-H46 PolarHBondContact O-N 2.85Å; G43-R47 WeakPolarHBondContact O-CG 3.43Å; G43-R47 PolarHBondContact O-N 2.85Å |
| 44 | M | 85.4 | Confident | 89 | Confident | 127 Ų | 127 | 83.8 Ų | 83.8 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.2 | -41.6 | -174.9 | -170.1 | 63.3 | 74 | 0 | 0 | 112.2 | F37 R47 L48 | F37-M44 HydrophobicContact CE2-SD 3.9Å; F37-M44 HydrophobicContact CZ-SD 3.92Å; M44-R47 PolarHBondContact O-N 3.31Å; M44-L48 HydrophobicContact CG-CD1 4.1Å; M44-L48 WeakPolarHBondContact O-CB 3.28Å; M44-L48 VanDerWaalsContact O-CG 3.27Å; M44-L48 WeakPolarHBondContact O-CG 3.25Å; M44-L48 PolarHBondContact O-N 3.5Å |
| 45 | S | 86.6 | Confident | 89.1 | Confident | 72 Ų | 72 | 82.3 Ų | 82.3 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 177.7 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | G43 K49 | G43-S45 VanDerWaalsContact C-N 3.31Å; G43-S45 PolarHBondContact O-N 3.48Å; S45-K49 WeakPolarHBondContact O-CB 3.24Å; S45-K49 WeakPolarHBondContact O-CG 3.22Å; S45-K49 PolarHBondContact O-N 2.94Å; S45-K49 VanDerWaalsContact O-N 3.08Å |
| 46 | H | 87.3 | Confident | 89.2 | Confident | 109 Ų | 109 | 84.9 Ų | 84.9 | 51% | 0.505 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.4 | -38.5 | 177.8 | -71.3 | -82.8 | 0 | 0 | 0 | 111.9 | P41 G43 K49 G50 | P41-H46 HydrophobicContact CG-CB 4.31Å; G43-H46 PolarHBondContact O-N 2.85Å; H46-K49 PolarHBondContact O-N 3.49Å; H46-G50 PolarHBondContact O-N 3.3Å |
| 47 | R | 89.7 | Confident | 89.4 | Confident | 89 Ų | 89 | 87.8 Ų | 87.8 | 34% | 0.336 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 175.9 | -71.6 | -175 | 166 | 167.6 | -3.9 | 113.1 | F37 P41 G43 M44 S51 | F37-R47 HydrophobicContact CD2-CB 3.62Å; F37-R47 HydrophobicContact CE2-CB 3.57Å; F37-R47 HydrophobicContact CE2-CG 4.49Å; F37-R47 HydrophobicContact CG-CB 4.25Å; F37-R47 HydrophobicContact CZ-CB 4.17Å; P41-R47 WeakPolarHBondContact O-CG 3.48Å; G43-R47 WeakPolarHBondContact O-CG 3.43Å; G43-R47 PolarHBondContact O-N 2.85Å; M44-R47 PolarHBondContact O-N 3.31Å; R47-S51 WeakPolarHBondContact O-CB 3.36Å; R47-S51 PolarHBondContact O-N 3Å |
| 48 | L | 90.1 | Very high | 89.5 | Confident | 101 Ų | 101 | 91.2 Ų | 91.2 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 176 | -70.1 | 173.6 | 0 | 0 | 0 | 111.5 | F37 M44 S51 M52 | F37-L48 HydrophobicContact CD2-CD2 4.46Å; F37-L48 HydrophobicContact CE2-CD2 4.3Å; M44-L48 HydrophobicContact CG-CD1 4.1Å; M44-L48 WeakPolarHBondContact O-CB 3.28Å; M44-L48 VanDerWaalsContact O-CG 3.27Å; M44-L48 WeakPolarHBondContact O-CG 3.25Å; M44-L48 PolarHBondContact O-N 3.5Å; L48-S51 PolarHBondContact O-N 2.67Å; L48-M52 WeakPolarHBondContact O-CB 3.19Å; L48-M52 PolarHBondContact O-N 3.44Å |
| 49 | K | 90.8 | Very high | 89.7 | Confident | 151 Ų | 151 | 82.1 Ų | 82.1 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 175.4 | -76.6 | 179.5 | 179.2 | -178.1 | 0 | 112.6 | S45 H46 M52 T53 | S45-K49 WeakPolarHBondContact O-CB 3.24Å; S45-K49 WeakPolarHBondContact O-CG 3.22Å; S45-K49 PolarHBondContact O-N 2.94Å; S45-K49 VanDerWaalsContact O-N 3.08Å; H46-K49 PolarHBondContact O-N 3.49Å; K49-M52 PolarHBondContact O-N 2.8Å; K49-T53 WeakPolarHBondContact O-CB 3.33Å; K49-T53 PolarHBondContact O-N 3.49Å; K49-T53 PolarHBondContact O-OG1 3.49Å |
| 50 | G | 89.9 | Confident | 89.8 | Confident | 22 Ų | 22 | 78.5 Ų | 78.5 | 23% | 0.227 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S40 H46 T53 A54 | S40-G50 WeakPolarHBondContact OG-CA 3.42Å; H46-G50 PolarHBondContact O-N 3.3Å; G50-T53 PolarHBondContact O-N 2.97Å; G50-A54 WeakPolarHBondContact O-CB 3.44Å; G50-A54 PolarHBondContact O-N 3Å |
| 51 | S | 91.7 | Very high | 90.1 | Very high | 13 Ų | 13 | 82.7 Ų | 82.7 | 9% | 0.091 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 172 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | A33 R47 L48 T53 A54 I55 | A33-S51 VanDerWaalsContact CA-OG 3.29Å; A33-S51 WeakPolarHBondContact CA-OG 3.43Å; A33-S51 PolarHBondContact O-OG 3.22Å; R47-S51 WeakPolarHBondContact O-CB 3.36Å; R47-S51 PolarHBondContact O-N 3Å; L48-S51 PolarHBondContact O-N 2.67Å; S51-T53 VanDerWaalsContact C-N 3.31Å; S51-T53 PolarHBondContact O-N 3.28Å; S51-A54 WeakPolarHBondContact O-CB 3.33Å; S51-A54 PolarHBondContact O-N 3.4Å; S51-A54 VanDerWaalsContact O-N 3.12Å; S51-I55 VanDerWaalsContact O-CG1 3.29Å; S51-I55 WeakPolarHBondContact O-CG1 3.34Å; S51-I55 PolarHBondContact O-N 3.01Å |
| 52 | M | 92.4 | Very high | 90.6 | Very high | 128 Ų | 128 | 81.6 Ų | 81.6 | 63% | 0.631 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.6 | -41.2 | 178.1 | -171.9 | 66.6 | 97.9 | 0 | 0 | 112.2 | L48 K49 I55 K56 | L48-M52 WeakPolarHBondContact O-CB 3.19Å; L48-M52 PolarHBondContact O-N 3.44Å; K49-M52 PolarHBondContact O-N 2.8Å; M52-I55 PolarHBondContact O-N 3.48Å; M52-K56 WeakPolarHBondContact O-CB 2.94Å; M52-K56 PolarHBondContact O-N 2.94Å |
| 53 | T | 92.6 | Very high | 91.3 | Very high | 86 Ų | 86 | 77.3 Ų | 77.3 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | K49 G50 S51 K56 T57 | K49-T53 WeakPolarHBondContact O-CB 3.33Å; K49-T53 PolarHBondContact O-N 3.49Å; K49-T53 PolarHBondContact O-OG1 3.49Å; G50-T53 PolarHBondContact O-N 2.97Å; S51-T53 VanDerWaalsContact C-N 3.31Å; S51-T53 PolarHBondContact O-N 3.28Å; T53-K56 PolarHBondContact O-N 3.09Å; T53-T57 HydrophobicContact CG2-CG2 4.48Å; T53-T57 WeakPolarHBondContact O-CB 3.5Å; T53-T57 WeakPolarHBondContact O-CG2 3.35Å; T53-T57 PolarHBondContact O-N 3.47Å; T53-T57 PolarHBondContact O-OG1 2.87Å |
| 54 | A | 92.5 | Very high | 91.9 | Very high | 19 Ų | 19 | 77.1 Ų | 77.1 | 16% | 0.157 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G50 S51 T57 R58 | G50-A54 WeakPolarHBondContact O-CB 3.44Å; G50-A54 PolarHBondContact O-N 3Å; S51-A54 WeakPolarHBondContact O-CB 3.33Å; S51-A54 PolarHBondContact O-N 3.4Å; S51-A54 VanDerWaalsContact O-N 3.12Å; A54-T57 PolarHBondContact O-OG1 2.98Å; A54-R58 VanDerWaalsContact O-CB 3.24Å; A54-R58 WeakPolarHBondContact O-CB 3.28Å; A54-R58 WeakPolarHBondContact O-CG 3.17Å; A54-R58 PolarHBondContact O-N 3.37Å |
| 55 | I | 94.8 | Very high | 92.3 | Very high | 51 Ų | 51 | 74.7 Ų | 74.7 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -54.4 | 174.8 | -63.9 | 164 | 0 | 0 | 0 | 109.4 | A33 S51 M52 T57 R58 A59 | A33-I55 HydrophobicContact CB-CD1 3.54Å; A33-I55 HydrophobicContact CB-CG1 3.87Å; S51-I55 VanDerWaalsContact O-CG1 3.29Å; S51-I55 WeakPolarHBondContact O-CG1 3.34Å; S51-I55 PolarHBondContact O-N 3.01Å; M52-I55 PolarHBondContact O-N 3.48Å; I55-T57 VanDerWaalsContact C-N 3.27Å; I55-T57 PolarHBondContact O-N 3.38Å; I55-R58 PolarHBondContact O-N 2.81Å; I55-A59 HydrophobicContact CG2-CB 4.23Å; I55-A59 WeakPolarHBondContact O-CB 3.27Å; I55-A59 PolarHBondContact O-N 3.36Å |
| 56 | K | 92.9 | Very high | 92.7 | Very high | 171 Ų | 171 | 75.7 Ų | 75.7 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.7 | -35.2 | -174.1 | -168.3 | 173.9 | -176.9 | -179.6 | 0 | 113.3 | M52 T53 P60 | M52-K56 WeakPolarHBondContact O-CB 2.94Å; M52-K56 PolarHBondContact O-N 2.94Å; T53-K56 PolarHBondContact O-N 3.09Å; K56-P60 WeakPolarHBondContact O-CD 3.29Å; K56-P60 WeakPolarHBondContact O-CG 3.1Å |
| 57 | T | 93.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 71.4 Ų | 71.4 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -88.3 | -30.8 | -177.3 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | T53 A54 I55 Q61 | T53-T57 HydrophobicContact CG2-CG2 4.48Å; T53-T57 WeakPolarHBondContact O-CB 3.5Å; T53-T57 WeakPolarHBondContact O-CG2 3.35Å; T53-T57 PolarHBondContact O-N 3.47Å; T53-T57 PolarHBondContact O-OG1 2.87Å; A54-T57 PolarHBondContact O-OG1 2.98Å; I55-T57 VanDerWaalsContact C-N 3.27Å; I55-T57 PolarHBondContact O-N 3.38Å; T57-Q61 VanDerWaalsContact O-CD 3.26Å; T57-Q61 WeakPolarHBondContact O-CG 3.33Å |
| 58 | R | 93.2 | Very high | 93.4 | Very high | 135 Ų | 135 | 71.3 Ų | 71.3 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -110.3 | -30.2 | -169.6 | -57.6 | -62.2 | -165.3 | 166.4 | 3.7 | 114.4 | Q32 A54 I55 Q61 L62 | Q32-R58 HydrophobicContact CG-CB 3.87Å; Q32-R58 VanDerWaalsContact NE2-CB 3.27Å; A54-R58 VanDerWaalsContact O-CB 3.24Å; A54-R58 WeakPolarHBondContact O-CB 3.28Å; A54-R58 WeakPolarHBondContact O-CG 3.17Å; A54-R58 PolarHBondContact O-N 3.37Å; I55-R58 PolarHBondContact O-N 2.81Å; R58-Q61 VanDerWaalsContact CD-OE1 3.24Å; R58-Q61 VanDerWaalsContact NH1-OE1 3.08Å; R58-Q61 PolarHBondContact O-N 2.98Å; R58-L62 PolarHBondContact O-N 2.83Å |
| 59 | A | 93.1 | Very high | 93.6 | Very high | 9 Ų | 9 | 70.8 Ų | 70.8 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.7 | -47 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I55 Q61 L62 G63 | I55-A59 HydrophobicContact CG2-CB 4.23Å; I55-A59 WeakPolarHBondContact O-CB 3.27Å; I55-A59 PolarHBondContact O-N 3.36Å; A59-Q61 VanDerWaalsContact C-N 3.33Å; A59-Q61 PolarHBondContact O-N 2.85Å; A59-L62 PolarHBondContact O-N 3.45Å; A59-G63 PolarHBondContact O-N 2.99Å |
| 60 | P | 93.4 | Very high | 93.7 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 42% | 0.422 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.6 | -29.2 | 177.5 | 26.8 | -34.9 | 0 | 0 | 0 | 113 | K56 G64 | K56-P60 WeakPolarHBondContact O-CD 3.29Å; K56-P60 WeakPolarHBondContact O-CG 3.1Å; P60-G64 PolarHBondContact O-N 3.05Å |
| 61 | Q | 94.4 | Very high | 93.9 | Very high | 107 Ų | 107 | 62.9 Ų | 62.9 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.3 | -68.7 | -178.2 | -18.1 | 0 | 0 | 111.3 | T57 R58 A59 S65 | T57-Q61 VanDerWaalsContact O-CD 3.26Å; T57-Q61 WeakPolarHBondContact O-CG 3.33Å; R58-Q61 VanDerWaalsContact CD-OE1 3.24Å; R58-Q61 VanDerWaalsContact NH1-OE1 3.08Å; R58-Q61 PolarHBondContact O-N 2.98Å; A59-Q61 VanDerWaalsContact C-N 3.33Å; A59-Q61 PolarHBondContact O-N 2.85Å; Q61-S65 PolarHBondContact O-N 3.45Å; Q61-S65 VanDerWaalsContact O-N 3.13Å; Q61-S65 PolarHBondContact O-OG 2.93Å |
| 62 | L | 94.5 | Very high | 94 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 36% | 0.356 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.5 | -47.4 | 176.2 | -166.4 | 67.3 | 0 | 0 | 0 | 110.9 | R58 A59 G64 S65 F66 | R58-L62 PolarHBondContact O-N 2.83Å; A59-L62 PolarHBondContact O-N 3.45Å; L62-G64 VanDerWaalsContact C-N 3.32Å; L62-G64 PolarHBondContact O-N 3.4Å; L62-S65 WeakPolarHBondContact O-CB 3.39Å; L62-S65 PolarHBondContact O-N 2.91Å; L62-F66 HydrophobicContact CD1-CD2 4.28Å; L62-F66 HydrophobicContact CD1-CE2 3.93Å; L62-F66 HydrophobicContact CD2-CE2 4.2Å; L62-F66 HydrophobicContact CG-CD2 3.95Å; L62-F66 HydrophobicContact CG-CE2 3.81Å; L62-F66 WeakPolarHBondContact O-CD2 3.36Å; L62-F66 PolarHBondContact O-N 2.98Å |
| 63 | G | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.1 | -47 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F21 A59 S65 F66 A67 | F21-G63 WeakPolarHBondContact CD2-O 3.4Å; A59-G63 PolarHBondContact O-N 2.99Å; G63-S65 VanDerWaalsContact C-N 3.32Å; G63-S65 PolarHBondContact O-N 2.52Å; G63-F66 PolarHBondContact O-N 3.04Å; G63-A67 WeakPolarHBondContact O-CB 3.38Å; G63-A67 PolarHBondContact O-N 2.93Å |
| 64 | G | 95.5 | Very high | 94 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P60 L62 A67 V68 | P60-G64 PolarHBondContact O-N 3.05Å; L62-G64 VanDerWaalsContact C-N 3.32Å; L62-G64 PolarHBondContact O-N 3.4Å; G64-A67 PolarHBondContact O-N 2.93Å; G64-V68 WeakPolarHBondContact O-CG2 3.25Å; G64-V68 PolarHBondContact O-N 3.23Å |
| 65 | S | 94.6 | Very high | 94 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 53% | 0.531 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | Q61 L62 G63 W69 | Q61-S65 PolarHBondContact O-N 3.45Å; Q61-S65 VanDerWaalsContact O-N 3.13Å; Q61-S65 PolarHBondContact O-OG 2.93Å; L62-S65 WeakPolarHBondContact O-CB 3.39Å; L62-S65 PolarHBondContact O-N 2.91Å; G63-S65 VanDerWaalsContact C-N 3.32Å; G63-S65 PolarHBondContact O-N 2.52Å; S65-W69 PolarHBondContact O-N 3.16Å; S65-W69 VanDerWaalsContact O-N 3.09Å |
| 66 | F | 94.6 | Very high | 93.9 | Very high | 93 Ų | 93 | 57.3 Ų | 57.3 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 173.9 | -85 | -83.3 | 0 | 0 | 0 | 112.3 | A20 L62 G63 W69 G70 | A20-F66 HydrophobicContact CB-CB 4.33Å; A20-F66 VanDerWaalsContact CB-O 3.31Å; A20-F66 WeakPolarHBondContact CB-O 3.19Å; A20-F66 VanDerWaalsContact O-CB 3.29Å; A20-F66 WeakPolarHBondContact O-CB 3.39Å; L62-F66 HydrophobicContact CD1-CD2 4.28Å; L62-F66 HydrophobicContact CD1-CE2 3.93Å; L62-F66 HydrophobicContact CD2-CE2 4.2Å; L62-F66 HydrophobicContact CG-CD2 3.95Å; L62-F66 HydrophobicContact CG-CE2 3.81Å; L62-F66 WeakPolarHBondContact O-CD2 3.36Å; L62-F66 PolarHBondContact O-N 2.98Å; G63-F66 PolarHBondContact O-N 3.04Å; F66-W69 PolarHBondContact O-N 3.02Å; F66-G70 PolarHBondContact O-N 2.91Å |
| 67 | A | 95.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F21 G63 G64 W69 G70 G71 | F21-A67 HydrophobicContact CB-CB 3.84Å; F21-A67 HydrophobicContact CD2-CB 4.18Å; G63-A67 WeakPolarHBondContact O-CB 3.38Å; G63-A67 PolarHBondContact O-N 2.93Å; G64-A67 PolarHBondContact O-N 2.93Å; A67-W69 VanDerWaalsContact C-N 3.33Å; A67-W69 PolarHBondContact O-N 3.43Å; A67-G70 PolarHBondContact O-N 3.06Å; A67-G71 PolarHBondContact O-N 3.04Å |
| 68 | V | 95.9 | Very high | 93.5 | Very high | 87 Ų | 87 | 46.9 Ų | 46.9 | 53% | 0.527 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 177 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | G64 L72 L103 | G64-V68 WeakPolarHBondContact O-CG2 3.25Å; G64-V68 PolarHBondContact O-N 3.23Å; V68-L72 WeakPolarHBondContact O-CB 3.42Å; V68-L72 PolarHBondContact O-N 3.41Å; V68-L103 HydrophobicContact CG1-CD2 3.67Å |
| 69 | W | 94.2 | Very high | 93.2 | Very high | 91 Ų | 91 | 42 Ų | 42 | 35% | 0.345 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.8 | -51.3 | 176.8 | -177.1 | 88.4 | 0 | 0 | 0 | 112 | S65 F66 A67 L72 F73 T99 L103 L123 | S65-W69 PolarHBondContact O-N 3.16Å; S65-W69 VanDerWaalsContact O-N 3.09Å; F66-W69 PolarHBondContact O-N 3.02Å; A67-W69 VanDerWaalsContact C-N 3.33Å; A67-W69 PolarHBondContact O-N 3.43Å; W69-L72 PolarHBondContact O-N 3.4Å; W69-F73 WeakPolarHBondContact O-CB 3.36Å; W69-F73 PolarHBondContact O-N 2.9Å; W69-T99 HydrophobicContact CG-CG2 4.18Å; W69-L103 HydrophobicContact CB-CD1 4.18Å; W69-L103 HydrophobicContact CG-CD1 4.32Å; W69-L123 HydrophobicContact CH2-CD2 4.41Å |
| 70 | G | 93.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F66 A67 L72 F73 S74 | F66-G70 PolarHBondContact O-N 2.91Å; A67-G70 PolarHBondContact O-N 3.06Å; G70-L72 PolarHBondContact O-N 2.88Å; G70-F73 PolarHBondContact O-N 3.43Å; G70-S74 PolarHBondContact O-N 3.47Å; G70-S74 PolarHBondContact O-OG 2.94Å |
| 71 | G | 94 | Very high | 92.5 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C17 A67 S74 M75 | C17-G71 WeakPolarHBondContact SG-CA 3.35Å; A67-G71 PolarHBondContact O-N 3.04Å; G71-S74 PolarHBondContact O-N 3.07Å; G71-M75 WeakPolarHBondContact O-CB 3.26Å; G71-M75 VanDerWaalsContact O-CG 3.28Å; G71-M75 WeakPolarHBondContact O-CG 3.11Å; G71-M75 PolarHBondContact O-N 2.91Å |
| 72 | L | 94.2 | Very high | 91.9 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 15% | 0.147 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 178.5 | -177.8 | 60.6 | 0 | 0 | 0 | 111.8 | V68 W69 G70 M75 I76 T99 I102 L103 | V68-L72 WeakPolarHBondContact O-CB 3.42Å; V68-L72 PolarHBondContact O-N 3.41Å; W69-L72 PolarHBondContact O-N 3.4Å; G70-L72 PolarHBondContact O-N 2.88Å; L72-M75 HydrophobicContact CB-CE 4.39Å; L72-M75 HydrophobicContact CD1-CE 4.1Å; L72-M75 PolarHBondContact O-N 3.49Å; L72-I76 HydrophobicContact CD1-CD1 3.89Å; L72-I76 HydrophobicContact CD1-CG1 4.29Å; L72-I76 HydrophobicContact CG-CD1 3.87Å; L72-I76 WeakPolarHBondContact O-CD1 3.4Å; L72-I76 VanDerWaalsContact O-CG1 3.26Å; L72-I76 WeakPolarHBondContact O-CG1 3.37Å; L72-I76 PolarHBondContact O-N 3.16Å; L72-T99 HydrophobicContact CB-CG2 4.08Å; L72-T99 HydrophobicContact CD2-CG2 3.97Å; L72-T99 HydrophobicContact CG-CG2 4.03Å; L72-I102 HydrophobicContact CD1-CD1 4.32Å; L72-I102 HydrophobicContact CD2-CB 3.89Å; L72-I102 HydrophobicContact CD2-CD1 4.42Å; L72-I102 HydrophobicContact CD2-CG2 3.62Å; L72-L103 HydrophobicContact CD2-CD2 3.87Å; L72-L103 HydrophobicContact CD2-CG 3.93Å |
| 73 | F | 93.9 | Very high | 91.4 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 13% | 0.132 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.2 | -52.3 | 173 | 171.8 | -99 | 0 | 0 | 0 | 111.4 | W69 G70 M75 I76 D77 S95 T99 L123 | W69-F73 WeakPolarHBondContact O-CB 3.36Å; W69-F73 PolarHBondContact O-N 2.9Å; G70-F73 PolarHBondContact O-N 3.43Å; F73-M75 PolarHBondContact O-N 2.87Å; F73-I76 PolarHBondContact O-N 3.44Å; F73-D77 PolarHBondContact O-N 3.28Å; F73-S95 WeakPolarHBondContact CD2-OG 3.37Å; F73-S95 WeakPolarHBondContact CE2-OG 3.43Å; F73-T99 VanDerWaalsContact CA-OG1 3.25Å; F73-T99 WeakPolarHBondContact CA-OG1 3.3Å; F73-T99 HydrophobicContact CB-CG2 4.41Å; F73-T99 PolarHBondContact N-OG1 2.89Å; F73-L123 HydrophobicContact CD2-CD1 3.73Å; F73-L123 HydrophobicContact CE2-CD1 3.1Å; F73-L123 HydrophobicContact CZ-CD1 3.81Å |
| 74 | S | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.1 | -33.8 | -177.6 | -52.4 | 0 | 0 | 0 | 0 | 113 | D16 G70 G71 I76 C78 | D16-S74 WeakPolarHBondContact CB-OG 3.21Å; D16-S74 WeakPolarHBondContact OD2-CB 3.31Å; D16-S74 PolarHBondContact OD2-OG 2.87Å; G70-S74 PolarHBondContact O-N 3.47Å; G70-S74 PolarHBondContact O-OG 2.94Å; G71-S74 PolarHBondContact O-N 3.07Å; S74-I76 VanDerWaalsContact C-N 3.34Å; S74-C78 WeakPolarHBondContact O-CB 3.29Å; S74-C78 PolarHBondContact O-N 3.42Å; S74-C78 PolarHBondContact O-SG 2.91Å; S74-C78 VanDerWaalsContact O-SG 3.36Å |
| 75 | M | 91.3 | Very high | 89.7 | Confident | 101 Ų | 101 | 56 Ų | 56 | 50% | 0.498 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 171.8 | -79.3 | -171.9 | -67.6 | 0 | 0 | 111.7 | I13 G71 L72 F73 G79 | I13-M75 HydrophobicContact CD1-CG 3.82Å; I13-M75 HydrophobicContact CG1-CG 4.19Å; I13-M75 HydrophobicContact CG2-CG 3.89Å; G71-M75 WeakPolarHBondContact O-CB 3.26Å; G71-M75 VanDerWaalsContact O-CG 3.28Å; G71-M75 WeakPolarHBondContact O-CG 3.11Å; G71-M75 PolarHBondContact O-N 2.91Å; L72-M75 HydrophobicContact CB-CE 4.39Å; L72-M75 HydrophobicContact CD1-CE 4.1Å; L72-M75 PolarHBondContact O-N 3.49Å; F73-M75 PolarHBondContact O-N 2.87Å; M75-G79 PolarHBondContact O-N 3.5Å |
| 76 | I | 92.3 | Very high | 88.9 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 11% | 0.108 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72 | -42.8 | 180 | -63.5 | 161.7 | 0 | 0 | 0 | 110.5 | L72 F73 S74 G79 L80 M98 T99 I102 | L72-I76 HydrophobicContact CD1-CD1 3.89Å; L72-I76 HydrophobicContact CD1-CG1 4.29Å; L72-I76 HydrophobicContact CG-CD1 3.87Å; L72-I76 WeakPolarHBondContact O-CD1 3.4Å; L72-I76 VanDerWaalsContact O-CG1 3.26Å; L72-I76 WeakPolarHBondContact O-CG1 3.37Å; L72-I76 PolarHBondContact O-N 3.16Å; F73-I76 PolarHBondContact O-N 3.44Å; S74-I76 VanDerWaalsContact C-N 3.34Å; I76-G79 PolarHBondContact O-N 3.12Å; I76-L80 HydrophobicContact CG2-CD1 4.07Å; I76-L80 HydrophobicContact CG2-CG 4.31Å; I76-L80 WeakPolarHBondContact O-CG 3.39Å; I76-L80 PolarHBondContact O-N 3.02Å; I76-M98 HydrophobicContact CD1-CB 3.89Å; I76-M98 HydrophobicContact CD1-CE 4.46Å; I76-M98 HydrophobicContact CG1-CE 4.43Å; I76-M98 HydrophobicContact CG2-CB 4.21Å; I76-M98 HydrophobicContact CG2-CE 3.8Å; I76-M98 HydrophobicContact CG2-SD 3.77Å; I76-T99 WeakPolarHBondContact CD1-OG1 3.48Å; I76-I102 HydrophobicContact CD1-CD1 3.8Å |
| 77 | D | 90.5 | Very high | 87.9 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -51.4 | 177.3 | -168.5 | 51.9 | 0 | 0 | 0 | 111.3 | R6 F73 G79 L80 V81 N91 | R6-D77 IonicContact NH2-OD2 3.6Å; R6-D77 PolarHBondContact NH2-OD2 3.05Å; F73-D77 PolarHBondContact O-N 3.28Å; D77-G79 VanDerWaalsContact C-N 3.26Å; D77-G79 PolarHBondContact O-N 3.39Å; D77-L80 PolarHBondContact O-N 3.35Å; D77-L80 VanDerWaalsContact O-N 3.12Å; D77-V81 WeakPolarHBondContact O-CG2 3.45Å; D77-V81 PolarHBondContact O-N 3.44Å; D77-N91 WeakPolarHBondContact OD1-CB 3.35Å |
| 78 | C | 88.4 | Confident | 87.2 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 10% | 0.101 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.2 | -40.8 | 173.6 | -81.1 | 0 | 0 | 0 | 0 | 112.4 | C9 S74 K82 | C9-C78 HydrophobicContact CB-CB 3.84Å; C9-C78 WeakPolarHBondContact CB-SG 3.42Å; C9-C78 WeakPolarHBondContact SG-CB 3.12Å; C9-C78 CovalentContact SG-SG 2.04Å; C9-C78 PolarHBondContact SG-SG 3.13Å; S74-C78 WeakPolarHBondContact O-CB 3.29Å; S74-C78 PolarHBondContact O-N 3.42Å; S74-C78 PolarHBondContact O-SG 2.91Å; S74-C78 VanDerWaalsContact O-SG 3.36Å; C78-K82 WeakPolarHBondContact O-CB 3.38Å; C78-K82 PolarHBondContact O-N 3.47Å |
| 79 | G | 86.4 | Confident | 86.6 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M75 I76 D77 K82 V83 | M75-G79 PolarHBondContact O-N 3.5Å; I76-G79 PolarHBondContact O-N 3.12Å; D77-G79 VanDerWaalsContact C-N 3.26Å; D77-G79 PolarHBondContact O-N 3.39Å; G79-K82 PolarHBondContact O-N 3.35Å; G79-V83 WeakPolarHBondContact O-CG2 3.44Å; G79-V83 PolarHBondContact O-N 2.85Å |
| 80 | L | 85.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 178.4 | -72.1 | 175.8 | 0 | 0 | 0 | 111.8 | I76 D77 K82 V83 R84 T94 | I76-L80 HydrophobicContact CG2-CD1 4.07Å; I76-L80 HydrophobicContact CG2-CG 4.31Å; I76-L80 WeakPolarHBondContact O-CG 3.39Å; I76-L80 PolarHBondContact O-N 3.02Å; D77-L80 PolarHBondContact O-N 3.35Å; D77-L80 VanDerWaalsContact O-N 3.12Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 PolarHBondContact O-N 2.87Å; L80-V83 PolarHBondContact O-N 2.83Å; L80-R84 WeakPolarHBondContact O-CB 3.22Å; L80-R84 PolarHBondContact O-N 2.9Å; L80-T94 HydrophobicContact CD1-CG2 4.24Å |
| 81 | V | 85.2 | Confident | 86 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.4 | -44 | 175 | 174 | 0 | 0 | 0 | 0 | 110.6 | D77 V83 G85 E87 | D77-V81 WeakPolarHBondContact O-CG2 3.45Å; D77-V81 PolarHBondContact O-N 3.44Å; V81-V83 VanDerWaalsContact C-N 3.34Å; V81-V83 PolarHBondContact O-N 2.69Å; V81-G85 WeakPolarHBondContact O-CA 3.46Å; V81-G85 PolarHBondContact O-N 3.25Å; V81-E87 HydrophobicContact CG1-CG 4Å; V81-E87 HydrophobicContact CG2-CG 4.02Å |
| 82 | K | 82.5 | Confident | 85.6 | Confident | 190 Ų | 190 | 64.7 Ų | 64.7 | 83% | 0.826 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.3 | -36.7 | 177.6 | -175.6 | 168.1 | -176.4 | 161.5 | 0 | 113.3 | C78 G79 L80 | C78-K82 WeakPolarHBondContact O-CB 3.38Å; C78-K82 PolarHBondContact O-N 3.47Å; G79-K82 PolarHBondContact O-N 3.35Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 PolarHBondContact O-N 2.87Å |
| 83 | V | 83.7 | Confident | 85.5 | Confident | 126 Ų | 126 | 65.1 Ų | 65.1 | 76% | 0.764 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -79.2 | -40.6 | -179.7 | 172 | 0 | 0 | 0 | 0 | 112 | G79 L80 V81 | G79-V83 WeakPolarHBondContact O-CG2 3.44Å; G79-V83 PolarHBondContact O-N 2.85Å; L80-V83 PolarHBondContact O-N 2.83Å; V81-V83 VanDerWaalsContact C-N 3.34Å; V81-V83 PolarHBondContact O-N 2.69Å |
| 84 | R | 80.8 | Confident | 85.4 | Confident | 118 Ų | 118 | 66 Ų | 66 | 45% | 0.445 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -93.1 | -20.4 | -172.7 | -67 | 177.4 | 59.7 | 157.5 | -6 | 113.8 | L80 K86 D88 | L80-R84 WeakPolarHBondContact O-CB 3.22Å; L80-R84 PolarHBondContact O-N 2.9Å; R84-K86 PolarHBondContact O-N 3.44Å; R84-K86 VanDerWaalsContact O-N 3.1Å; R84-D88 IonicContact NH2-OD2 3.67Å |
| 85 | G | 75.1 | Confident | 85.4 | Confident | 68 Ų | 68 | 66 Ų | 66 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 59.1 | 18.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V81 | V81-G85 WeakPolarHBondContact O-CA 3.46Å; V81-G85 PolarHBondContact O-N 3.25Å |
| 86 | K | 76.8 | Confident | 85.4 | Confident | 135 Ų | 135 | 61.2 Ų | 61.2 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | trans | -136.1 | 138.4 | 179.6 | -64.9 | -167.3 | -179.6 | 75 | 0 | 109.3 | R84 N91 | R84-K86 PolarHBondContact O-N 3.44Å; R84-K86 VanDerWaalsContact O-N 3.1Å; K86-N91 PolarHBondContact O-ND2 2.95Å | ||
| 87 | E | 74.3 | Confident | 85.6 | Confident | 122 Ų | 122 | 61.4 Ų | 61.4 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | trans | -103.3 | 96.3 | 174.5 | -59.3 | -158.8 | 149.3 | 0 | 0 | 109.1 | R6 V81 | R6-E87 IonicContact NE-OE1 3.98Å; R6-E87 IonicContact NE-OE2 2.93Å; V81-E87 HydrophobicContact CG1-CG 4Å; V81-E87 HydrophobicContact CG2-CG 4.02Å | ||
| 88 | D | 81.8 | Confident | 85.7 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 34% | 0.342 | 34% | 0.344 | S | S | . | . | trans | -114.3 | 154.2 | 177.4 | -62.9 | -51.1 | 0 | 0 | 0 | 109.9 | R84 W90 N91 | R84-D88 IonicContact NH2-OD2 3.67Å; D88-W90 HydrophobicContact CB-CB 4.33Å; D88-W90 PolarHBondContact O-N 3.41Å; D88-N91 WeakPolarHBondContact O-CB 3.36Å; D88-N91 PolarHBondContact O-N 2.96Å | ||
| 89 | P | 83.2 | Confident | 86 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54 | -24 | 171.9 | -26.6 | 34.6 | 0 | 0 | 0 | 113.6 | N91 S92 I93 E127 I131 | P89-N91 PolarHBondContact O-N 2.82Å; P89-S92 PolarHBondContact O-N 3.22Å; P89-I93 WeakPolarHBondContact O-CG1 3.38Å; P89-I93 PolarHBondContact O-N 3.01Å; P89-I93 VanDerWaalsContact O-N 3.12Å; P89-E127 HydrophobicContact CB-CB 4.34Å; P89-I131 HydrophobicContact CG-CD1 4.19Å |
| 90 | W | 84.8 | Confident | 86.4 | Confident | 166 Ų | 166 | 63 Ų | 63 | 63% | 0.629 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.9 | -28.3 | 172.8 | -84.1 | 104.2 | 0 | 0 | 0 | 113.9 | D88 T94 | D88-W90 HydrophobicContact CB-CB 4.33Å; D88-W90 PolarHBondContact O-N 3.41Å; W90-T94 WeakPolarHBondContact O-CB 3.46Å; W90-T94 PolarHBondContact O-N 3Å; W90-T94 PolarHBondContact O-OG1 3.44Å |
| 91 | N | 88.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.011 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.8 | -50 | 176.4 | -67.2 | -9.1 | 0 | 0 | 0 | 109.9 | D77 K86 D88 P89 I93 T94 S95 | D77-N91 WeakPolarHBondContact OD1-CB 3.35Å; K86-N91 PolarHBondContact O-ND2 2.95Å; D88-N91 WeakPolarHBondContact O-CB 3.36Å; D88-N91 PolarHBondContact O-N 2.96Å; P89-N91 PolarHBondContact O-N 2.82Å; N91-I93 PolarHBondContact O-N 3.34Å; N91-T94 PolarHBondContact O-N 3.42Å; N91-S95 VanDerWaalsContact O-CB 3.29Å; N91-S95 WeakPolarHBondContact O-CB 3.24Å; N91-S95 PolarHBondContact O-N 3.04Å; N91-S95 PolarHBondContact O-OG 2.9Å |
| 92 | S | 86.5 | Confident | 87.3 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 174.7 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | P89 T94 S95 G96 L123 E127 | P89-S92 PolarHBondContact O-N 3.22Å; S92-T94 PolarHBondContact O-N 3.31Å; S92-S95 WeakPolarHBondContact CA-OG 3.36Å; S92-S95 PolarHBondContact O-OG 3.43Å; S92-G96 PolarHBondContact O-N 2.74Å; S92-L123 VanDerWaalsContact O-CD1 3.26Å; S92-L123 WeakPolarHBondContact O-CD1 3.21Å; S92-E127 WeakPolarHBondContact CB-OE1 3.48Å; S92-E127 PolarHBondContact OG-OE1 2.77Å |
| 93 | I | 91.4 | Very high | 87.8 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 179.9 | -64.2 | 168.3 | 0 | 0 | 0 | 110.8 | P89 N91 G96 A97 A124 | P89-I93 WeakPolarHBondContact O-CG1 3.38Å; P89-I93 PolarHBondContact O-N 3.01Å; P89-I93 VanDerWaalsContact O-N 3.12Å; N91-I93 PolarHBondContact O-N 3.34Å; I93-G96 PolarHBondContact O-N 3.07Å; I93-A97 PolarHBondContact O-N 2.92Å; I93-A124 HydrophobicContact CD1-CB 3.89Å; I93-A124 HydrophobicContact CG1-CB 4.01Å; I93-A124 HydrophobicContact CG2-CB 4.48Å |
| 94 | T | 91.5 | Very high | 88.3 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.8 | -41.6 | -178.5 | -54 | 0 | 0 | 0 | 0 | 111.1 | L80 W90 N91 S92 G96 A97 M98 | L80-T94 HydrophobicContact CD1-CG2 4.24Å; W90-T94 WeakPolarHBondContact O-CB 3.46Å; W90-T94 PolarHBondContact O-N 3Å; W90-T94 PolarHBondContact O-OG1 3.44Å; N91-T94 PolarHBondContact O-N 3.42Å; S92-T94 PolarHBondContact O-N 3.31Å; T94-G96 VanDerWaalsContact C-N 3.34Å; T94-G96 PolarHBondContact O-N 3.23Å; T94-A97 PolarHBondContact O-N 3.02Å; T94-M98 HydrophobicContact CG2-CG 4.36Å; T94-M98 HydrophobicContact CG2-SD 4.12Å; T94-M98 WeakPolarHBondContact O-CB 3.08Å; T94-M98 VanDerWaalsContact O-CG 3.31Å; T94-M98 WeakPolarHBondContact O-CG 3.24Å; T94-M98 PolarHBondContact O-N 3.02Å |
| 95 | S | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -37 | 177.1 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | F73 N91 S92 M98 T99 | F73-S95 WeakPolarHBondContact CD2-OG 3.37Å; F73-S95 WeakPolarHBondContact CE2-OG 3.43Å; N91-S95 VanDerWaalsContact O-CB 3.29Å; N91-S95 WeakPolarHBondContact O-CB 3.24Å; N91-S95 PolarHBondContact O-N 3.04Å; N91-S95 PolarHBondContact O-OG 2.9Å; S92-S95 WeakPolarHBondContact CA-OG 3.36Å; S92-S95 PolarHBondContact O-OG 3.43Å; S95-M98 PolarHBondContact O-N 2.91Å; S95-T99 VanDerWaalsContact O-CB 3.24Å; S95-T99 WeakPolarHBondContact O-CB 3.38Å; S95-T99 PolarHBondContact O-N 3.33Å; S95-T99 PolarHBondContact O-OG1 3.2Å |
| 96 | G | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S92 I93 T94 T99 G100 | S92-G96 PolarHBondContact O-N 2.74Å; I93-G96 PolarHBondContact O-N 3.07Å; T94-G96 VanDerWaalsContact C-N 3.34Å; T94-G96 PolarHBondContact O-N 3.23Å; G96-T99 PolarHBondContact O-N 3.25Å; G96-G100 PolarHBondContact O-N 3.47Å |
| 97 | A | 94.8 | Very high | 90.6 | Very high | 26 Ų | 26 | 56 Ų | 56 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I93 T94 G100 A101 A116 | I93-A97 PolarHBondContact O-N 2.92Å; T94-A97 PolarHBondContact O-N 3.02Å; A97-G100 PolarHBondContact O-N 3.37Å; A97-A101 WeakPolarHBondContact O-CB 3.41Å; A97-A101 PolarHBondContact O-N 2.9Å; A97-A116 WeakPolarHBondContact CA-O 3.47Å; A97-A116 WeakPolarHBondContact O-CA 3.35Å; A97-A116 WeakPolarHBondContact O-CB 3.42Å |
| 98 | M | 94.1 | Very high | 91.6 | Very high | 77 Ų | 77 | 51.4 Ų | 51.4 | 38% | 0.379 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 177.5 | -74.9 | -178.5 | 57.9 | 0 | 0 | 112.1 | I76 T94 S95 G100 A101 I102 | I76-M98 HydrophobicContact CD1-CB 3.89Å; I76-M98 HydrophobicContact CD1-CE 4.46Å; I76-M98 HydrophobicContact CG1-CE 4.43Å; I76-M98 HydrophobicContact CG2-CB 4.21Å; I76-M98 HydrophobicContact CG2-CE 3.8Å; I76-M98 HydrophobicContact CG2-SD 3.77Å; T94-M98 HydrophobicContact CG2-CG 4.36Å; T94-M98 HydrophobicContact CG2-SD 4.12Å; T94-M98 WeakPolarHBondContact O-CB 3.08Å; T94-M98 VanDerWaalsContact O-CG 3.31Å; T94-M98 WeakPolarHBondContact O-CG 3.24Å; T94-M98 PolarHBondContact O-N 3.02Å; S95-M98 PolarHBondContact O-N 2.91Å; M98-G100 VanDerWaalsContact C-N 3.33Å; M98-G100 PolarHBondContact O-N 2.93Å; M98-A101 PolarHBondContact O-N 3.39Å; M98-I102 WeakPolarHBondContact O-CB 3.48Å; M98-I102 WeakPolarHBondContact O-CD1 3.29Å; M98-I102 VanDerWaalsContact O-CG1 3.25Å; M98-I102 WeakPolarHBondContact O-CG1 3.34Å; M98-I102 PolarHBondContact O-N 2.79Å |
| 99 | T | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | W69 L72 F73 I76 S95 G96 A101 I102 L103 | W69-T99 HydrophobicContact CG-CG2 4.18Å; L72-T99 HydrophobicContact CB-CG2 4.08Å; L72-T99 HydrophobicContact CD2-CG2 3.97Å; L72-T99 HydrophobicContact CG-CG2 4.03Å; F73-T99 VanDerWaalsContact CA-OG1 3.25Å; F73-T99 WeakPolarHBondContact CA-OG1 3.3Å; F73-T99 HydrophobicContact CB-CG2 4.41Å; F73-T99 PolarHBondContact N-OG1 2.89Å; I76-T99 WeakPolarHBondContact CD1-OG1 3.48Å; S95-T99 VanDerWaalsContact O-CB 3.24Å; S95-T99 WeakPolarHBondContact O-CB 3.38Å; S95-T99 PolarHBondContact O-N 3.33Å; S95-T99 PolarHBondContact O-OG1 3.2Å; G96-T99 PolarHBondContact O-N 3.25Å; T99-A101 PolarHBondContact O-N 3.34Å; T99-I102 PolarHBondContact O-N 2.83Å; T99-L103 HydrophobicContact CG2-CD1 3.99Å; T99-L103 VanDerWaalsContact O-CG 3.28Å; T99-L103 WeakPolarHBondContact O-CG 3.06Å; T99-L103 PolarHBondContact O-N 2.9Å |
| 100 | G | 93.5 | Very high | 92.7 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 9% | 0.093 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.2 | -48.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G96 A97 M98 I102 A104 S115 | G96-G100 PolarHBondContact O-N 3.47Å; A97-G100 PolarHBondContact O-N 3.37Å; M98-G100 VanDerWaalsContact C-N 3.33Å; M98-G100 PolarHBondContact O-N 2.93Å; G100-I102 PolarHBondContact O-N 3.29Å; G100-A104 PolarHBondContact O-N 2.92Å; G100-S115 VanDerWaalsContact O-CB 3.31Å; G100-S115 WeakPolarHBondContact O-CB 3.43Å; G100-S115 PolarHBondContact O-OG 3.19Å |
| 101 | A | 95.3 | Very high | 93.2 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59 | -48.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | A97 M98 T99 L103 A104 A105 A116 | A97-A101 WeakPolarHBondContact O-CB 3.41Å; A97-A101 PolarHBondContact O-N 2.9Å; M98-A101 PolarHBondContact O-N 3.39Å; T99-A101 PolarHBondContact O-N 3.34Å; A101-L103 PolarHBondContact O-N 3.47Å; A101-A104 CarbonylContact O-C 3.54Å; A101-A104 PolarHBondContact O-N 3.45Å; A101-A105 PolarHBondContact O-N 3.21Å; A101-A116 HydrophobicContact CB-CB 3.98Å |
| 102 | I | 95.5 | Very high | 93.5 | Very high | 84 Ų | 84 | 53.6 Ų | 53.6 | 43% | 0.431 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | -176.4 | -69.7 | 163.2 | 0 | 0 | 0 | 110.8 | L72 I76 M98 T99 G100 A104 A105 | L72-I102 HydrophobicContact CD1-CD1 4.32Å; L72-I102 HydrophobicContact CD2-CB 3.89Å; L72-I102 HydrophobicContact CD2-CD1 4.42Å; L72-I102 HydrophobicContact CD2-CG2 3.62Å; I76-I102 HydrophobicContact CD1-CD1 3.8Å; M98-I102 WeakPolarHBondContact O-CB 3.48Å; M98-I102 WeakPolarHBondContact O-CD1 3.29Å; M98-I102 VanDerWaalsContact O-CG1 3.25Å; M98-I102 WeakPolarHBondContact O-CG1 3.34Å; M98-I102 PolarHBondContact O-N 2.79Å; T99-I102 PolarHBondContact O-N 2.83Å; G100-I102 PolarHBondContact O-N 3.29Å; I102-A104 VanDerWaalsContact C-N 3.25Å; I102-A104 PolarHBondContact O-N 2.91Å; I102-A105 WeakPolarHBondContact O-CB 3.14Å; I102-A105 PolarHBondContact O-N 3.45Å; I102-A105 VanDerWaalsContact O-N 3.15Å |
| 103 | L | 93.9 | Very high | 93.9 | Very high | 67 Ų | 67 | 57.9 Ų | 57.9 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.3 | -27.6 | -179.7 | -65.4 | 176.2 | 0 | 0 | 0 | 113.1 | V68 W69 L72 T99 A101 | V68-L103 HydrophobicContact CG1-CD2 3.67Å; W69-L103 HydrophobicContact CB-CD1 4.18Å; W69-L103 HydrophobicContact CG-CD1 4.32Å; L72-L103 HydrophobicContact CD2-CD2 3.87Å; L72-L103 HydrophobicContact CD2-CG 3.93Å; T99-L103 HydrophobicContact CG2-CD1 3.99Å; T99-L103 VanDerWaalsContact O-CG 3.28Å; T99-L103 WeakPolarHBondContact O-CG 3.06Å; T99-L103 PolarHBondContact O-N 2.9Å; A101-L103 PolarHBondContact O-N 3.47Å |
| 104 | A | 94.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 0.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G100 A101 I102 R106 N107 A111 S115 | G100-A104 PolarHBondContact O-N 2.92Å; A101-A104 CarbonylContact O-C 3.54Å; A101-A104 PolarHBondContact O-N 3.45Å; I102-A104 VanDerWaalsContact C-N 3.25Å; I102-A104 PolarHBondContact O-N 2.91Å; A104-R106 PolarHBondContact O-N 2.91Å; A104-R106 VanDerWaalsContact O-N 3.14Å; A104-N107 WeakPolarHBondContact O-CB 3.29Å; A104-N107 PolarHBondContact O-N 3.47Å; A104-A111 HydrophobicContact CB-CB 4.37Å; A104-S115 WeakPolarHBondContact CB-OG 3.24Å |
| 105 | A | 93.4 | Very high | 94.3 | Very high | 49 Ų | 49 | 57 Ų | 57 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -53.4 | -39.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A101 I102 N107 G108 M112 | A101-A105 PolarHBondContact O-N 3.21Å; I102-A105 WeakPolarHBondContact O-CB 3.14Å; I102-A105 PolarHBondContact O-N 3.45Å; I102-A105 VanDerWaalsContact O-N 3.15Å; A105-N107 PolarHBondContact O-N 3.33Å; A105-G108 PolarHBondContact O-N 2.77Å; A105-M112 HydrophobicContact CB-CE 4.24Å; A105-M112 HydrophobicContact CB-CG 4.42Å; A105-M112 HydrophobicContact CB-SD 4.19Å |
| 106 | R | 93.4 | Very high | 94.4 | Very high | 224 Ų | 224 | 58.1 Ų | 58.1 | 85% | 0.845 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -70.3 | -16.4 | 178.6 | 70.7 | 179 | -176.2 | -174.5 | -2 | 114.8 | A104 G108 | A104-R106 PolarHBondContact O-N 2.91Å; A104-R106 VanDerWaalsContact O-N 3.14Å; R106-G108 VanDerWaalsContact C-N 3.33Å |
| 107 | N | 93.3 | Very high | 94.5 | Very high | 108 Ų | 108 | 60.5 Ų | 60.5 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -92.4 | 2.6 | -177.9 | -58.6 | -36.8 | 0 | 0 | 0 | 112.2 | A104 A105 A111 | A104-N107 WeakPolarHBondContact O-CB 3.29Å; A104-N107 PolarHBondContact O-N 3.47Å; A105-N107 PolarHBondContact O-N 3.33Å; N107-A111 HydrophobicContact CB-CB 3.55Å |
| 108 | G | 94.4 | Very high | 94.5 | Very high | 25 Ų | 25 | 65.2 Ų | 65.2 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | trans | 95.5 | 168.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A105 R106 V110 A111 M112 | A105-G108 PolarHBondContact O-N 2.77Å; R106-G108 VanDerWaalsContact C-N 3.33Å; G108-V110 VanDerWaalsContact C-N 3.34Å; G108-V110 PolarHBondContact O-N 3.47Å; G108-A111 PolarHBondContact O-N 2.98Å; G108-A111 VanDerWaalsContact O-N 3.15Å; G108-M112 WeakPolarHBondContact O-CG 3.39Å; G108-M112 PolarHBondContact O-N 3.26Å; G108-M112 VanDerWaalsContact O-N 3.09Å | ||
| 109 | P | 93.8 | Very high | 94.3 | Very high | 103 Ų | 103 | 62 Ų | 62 | 67% | 0.669 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.5 | -36.8 | -169 | -24.8 | 34.2 | 0 | 0 | 0 | 114.3 | M112 V113 | P109-M112 WeakPolarHBondContact O-CB 3.37Å; P109-M112 PolarHBondContact O-N 3.12Å; P109-V113 WeakPolarHBondContact O-CG2 3.3Å; P109-V113 PolarHBondContact O-N 2.91Å |
| 110 | V | 95.4 | Very high | 94.2 | Very high | 129 Ų | 129 | 62.4 Ų | 62.4 | 78% | 0.782 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.4 | -42 | 179 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | G108 M112 V113 G114 | G108-V110 VanDerWaalsContact C-N 3.34Å; G108-V110 PolarHBondContact O-N 3.47Å; V110-M112 VanDerWaalsContact C-N 3.33Å; V110-V113 PolarHBondContact O-N 3.33Å; V110-G114 PolarHBondContact O-N 2.87Å |
| 111 | A | 94.4 | Very high | 94.3 | Very high | 35 Ų | 35 | 67 Ų | 67 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A104 N107 G108 G114 S115 | A104-A111 HydrophobicContact CB-CB 4.37Å; N107-A111 HydrophobicContact CB-CB 3.55Å; G108-A111 PolarHBondContact O-N 2.98Å; G108-A111 VanDerWaalsContact O-N 3.15Å; A111-G114 PolarHBondContact O-N 3.45Å; A111-S115 WeakPolarHBondContact O-CB 3.41Å; A111-S115 PolarHBondContact O-N 2.96Å; A111-S115 PolarHBondContact O-OG 2.86Å; A111-S115 VanDerWaalsContact O-OG 3.06Å |
| 112 | M | 95.6 | Very high | 94.1 | Very high | 65 Ų | 65 | 70.6 Ų | 70.6 | 32% | 0.32 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 174.5 | -66.3 | 175.2 | 69.1 | 0 | 0 | 112.5 | A105 G108 P109 V110 S115 A116 | A105-M112 HydrophobicContact CB-CE 4.24Å; A105-M112 HydrophobicContact CB-CG 4.42Å; A105-M112 HydrophobicContact CB-SD 4.19Å; G108-M112 WeakPolarHBondContact O-CG 3.39Å; G108-M112 PolarHBondContact O-N 3.26Å; G108-M112 VanDerWaalsContact O-N 3.09Å; P109-M112 WeakPolarHBondContact O-CB 3.37Å; P109-M112 PolarHBondContact O-N 3.12Å; V110-M112 VanDerWaalsContact C-N 3.33Å; M112-S115 PolarHBondContact O-OG 2.86Å; M112-A116 WeakPolarHBondContact O-CB 3.22Å; M112-A116 PolarHBondContact O-N 3.08Å |
| 113 | V | 95.7 | Very high | 94 | Very high | 103 Ų | 103 | 67.2 Ų | 67.2 | 62% | 0.624 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 179.7 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | P109 V110 A116 A117 | P109-V113 WeakPolarHBondContact O-CG2 3.3Å; P109-V113 PolarHBondContact O-N 2.91Å; V110-V113 PolarHBondContact O-N 3.33Å; V113-A116 PolarHBondContact O-N 3.42Å; V113-A117 WeakPolarHBondContact O-CB 3.39Å; V113-A117 PolarHBondContact O-N 3.46Å |
| 114 | G | 94.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 65.9 Ų | 65.9 | 44% | 0.443 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V110 A111 M118 | V110-G114 PolarHBondContact O-N 2.87Å; A111-G114 PolarHBondContact O-N 3.45Å; G114-M118 PolarHBondContact O-N 2.98Å |
| 115 | S | 94.8 | Very high | 93.7 | Very high | 24 Ų | 24 | 71.1 Ų | 71.1 | 17% | 0.168 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70.9 | -36 | 178.2 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | G100 A104 A111 M112 M118 G119 | G100-S115 VanDerWaalsContact O-CB 3.31Å; G100-S115 WeakPolarHBondContact O-CB 3.43Å; G100-S115 PolarHBondContact O-OG 3.19Å; A104-S115 WeakPolarHBondContact CB-OG 3.24Å; A111-S115 WeakPolarHBondContact O-CB 3.41Å; A111-S115 PolarHBondContact O-N 2.96Å; A111-S115 PolarHBondContact O-OG 2.86Å; A111-S115 VanDerWaalsContact O-OG 3.06Å; M112-S115 PolarHBondContact O-OG 2.86Å; S115-M118 PolarHBondContact O-N 3.11Å; S115-G119 PolarHBondContact O-N 3.37Å |
| 116 | A | 94.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 74 Ų | 74 | 18% | 0.182 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A97 A101 M112 V113 G119 G120 | A97-A116 WeakPolarHBondContact CA-O 3.47Å; A97-A116 WeakPolarHBondContact O-CA 3.35Å; A97-A116 WeakPolarHBondContact O-CB 3.42Å; A101-A116 HydrophobicContact CB-CB 3.98Å; M112-A116 WeakPolarHBondContact O-CB 3.22Å; M112-A116 PolarHBondContact O-N 3.08Å; V113-A116 PolarHBondContact O-N 3.42Å; A116-G119 PolarHBondContact O-N 2.93Å; A116-G120 PolarHBondContact O-N 2.82Å |
| 117 | A | 95.4 | Very high | 93.3 | Very high | 51 Ų | 51 | 66.3 Ų | 66.3 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V113 G119 G120 I121 | V113-A117 WeakPolarHBondContact O-CB 3.39Å; V113-A117 PolarHBondContact O-N 3.46Å; A117-G119 PolarHBondContact O-N 3.46Å; A117-G120 PolarHBondContact O-N 3.47Å; A117-I121 WeakPolarHBondContact O-CB 3.47Å; A117-I121 WeakPolarHBondContact O-CD1 3.31Å; A117-I121 WeakPolarHBondContact O-CG1 3.17Å; A117-I121 PolarHBondContact O-N 2.92Å |
| 118 | M | 93.8 | Very high | 93 | Very high | 124 Ų | 124 | 63 Ų | 63 | 61% | 0.611 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 178.5 | -169.9 | 162 | 71.4 | 0 | 0 | 112.1 | G114 S115 L122 | G114-M118 PolarHBondContact O-N 2.98Å; S115-M118 PolarHBondContact O-N 3.11Å; M118-L122 HydrophobicContact CG-CD1 4.02Å; M118-L122 HydrophobicContact CG-CG 4.49Å; M118-L122 WeakPolarHBondContact O-CB 3.39Å; M118-L122 VanDerWaalsContact O-CG 3.22Å; M118-L122 WeakPolarHBondContact O-CG 3.45Å; M118-L122 PolarHBondContact O-N 2.95Å |
| 119 | G | 91.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 64 Ų | 64 | 9% | 0.093 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | S115 A116 A117 L123 | S115-G119 PolarHBondContact O-N 3.37Å; A116-G119 PolarHBondContact O-N 2.93Å; A117-G119 PolarHBondContact O-N 3.46Å; G119-L123 PolarHBondContact O-N 3.33Å; G119-L123 VanDerWaalsContact O-N 3.16Å |
| 120 | G | 92.5 | Very high | 92.3 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A116 A117 L123 A124 | A116-G120 PolarHBondContact O-N 2.82Å; A117-G120 PolarHBondContact O-N 3.47Å; G120-L123 PolarHBondContact O-N 3.47Å; G120-A124 VanDerWaalsContact O-CB 3.25Å; G120-A124 WeakPolarHBondContact O-CB 3.32Å; G120-A124 PolarHBondContact O-N 2.87Å |
| 121 | I | 94.2 | Very high | 91.9 | Very high | 104 Ų | 104 | 58.7 Ų | 58.7 | 53% | 0.533 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 177.9 | -69 | 165.3 | 0 | 0 | 0 | 110.8 | A117 L123 A124 L125 | A117-I121 WeakPolarHBondContact O-CB 3.47Å; A117-I121 WeakPolarHBondContact O-CD1 3.31Å; A117-I121 WeakPolarHBondContact O-CG1 3.17Å; A117-I121 PolarHBondContact O-N 2.92Å; I121-L123 PolarHBondContact O-N 3.01Å; I121-A124 PolarHBondContact O-N 2.95Å; I121-L125 HydrophobicContact CG2-CD1 4.21Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 2.88Å |
| 122 | L | 92.8 | Very high | 91.4 | Very high | 96 Ų | 96 | 62.9 Ų | 62.9 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | -179.4 | -74.8 | 171.6 | 0 | 0 | 0 | 111.8 | M118 L125 I126 | M118-L122 HydrophobicContact CG-CD1 4.02Å; M118-L122 HydrophobicContact CG-CG 4.49Å; M118-L122 WeakPolarHBondContact O-CB 3.39Å; M118-L122 VanDerWaalsContact O-CG 3.22Å; M118-L122 WeakPolarHBondContact O-CG 3.45Å; M118-L122 PolarHBondContact O-N 2.95Å; L122-L125 PolarHBondContact O-N 2.98Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 3.25Å |
| 123 | L | 91.9 | Very high | 91 | Very high | 14 Ų | 14 | 65.6 Ų | 65.6 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -75.4 | -30.1 | 179.4 | -63.2 | -155.7 | 0 | 0 | 0 | 112.9 | W69 F73 S92 G119 G120 I121 L125 I126 E127 | W69-L123 HydrophobicContact CH2-CD2 4.41Å; F73-L123 HydrophobicContact CD2-CD1 3.73Å; F73-L123 HydrophobicContact CE2-CD1 3.1Å; F73-L123 HydrophobicContact CZ-CD1 3.81Å; S92-L123 VanDerWaalsContact O-CD1 3.26Å; S92-L123 WeakPolarHBondContact O-CD1 3.21Å; G119-L123 PolarHBondContact O-N 3.33Å; G119-L123 VanDerWaalsContact O-N 3.16Å; G120-L123 PolarHBondContact O-N 3.47Å; I121-L123 PolarHBondContact O-N 3.01Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.49Å; L123-I126 HydrophobicContact CD2-CD1 3.67Å; L123-I126 PolarHBondContact O-N 2.88Å; L123-E127 WeakPolarHBondContact O-CB 3.3Å; L123-E127 WeakPolarHBondContact O-CG 3.29Å; L123-E127 PolarHBondContact O-N 2.62Å |
| 124 | A | 91.9 | Very high | 90.4 | Very high | 39 Ų | 39 | 65.4 Ų | 65.4 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I93 G120 I121 G128 | I93-A124 HydrophobicContact CD1-CB 3.89Å; I93-A124 HydrophobicContact CG1-CB 4.01Å; I93-A124 HydrophobicContact CG2-CB 4.48Å; G120-A124 VanDerWaalsContact O-CB 3.25Å; G120-A124 WeakPolarHBondContact O-CB 3.32Å; G120-A124 PolarHBondContact O-N 2.87Å; I121-A124 PolarHBondContact O-N 2.95Å; A124-G128 WeakPolarHBondContact O-CA 3.36Å; A124-G128 PolarHBondContact O-N 3.37Å |
| 125 | L | 91.5 | Very high | 89.8 | Confident | 117 Ų | 117 | 72 Ų | 72 | 61% | 0.613 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -68.9 | -40.4 | 174.5 | -69.1 | 174 | 0 | 0 | 0 | 112.2 | I121 L122 L123 A129 | I121-L125 HydrophobicContact CG2-CD1 4.21Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 2.88Å; L122-L125 PolarHBondContact O-N 2.98Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.49Å; L125-A129 WeakPolarHBondContact O-CB 3.41Å; L125-A129 PolarHBondContact O-N 2.78Å |
| 126 | I | 90.4 | Very high | 89.1 | Confident | 109 Ų | 109 | 77 Ų | 77 | 56% | 0.559 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.7 | -49.7 | 179.1 | -71.2 | 164.8 | 0 | 0 | 0 | 111 | L122 L123 A129 G130 | L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 3.25Å; L123-I126 HydrophobicContact CD2-CD1 3.67Å; L123-I126 PolarHBondContact O-N 2.88Å; I126-A129 PolarHBondContact O-N 3.49Å; I126-G130 PolarHBondContact O-N 3.43Å |
| 127 | E | 88 | Confident | 88.4 | Confident | 62 Ų | 62 | 78.4 Ų | 78.4 | 29% | 0.29 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 177.1 | -67.1 | -66.6 | 167.3 | 0 | 0 | 111.4 | P89 S92 L123 A129 G130 I131 | P89-E127 HydrophobicContact CB-CB 4.34Å; S92-E127 WeakPolarHBondContact CB-OE1 3.48Å; S92-E127 PolarHBondContact OG-OE1 2.77Å; L123-E127 WeakPolarHBondContact O-CB 3.3Å; L123-E127 WeakPolarHBondContact O-CG 3.29Å; L123-E127 PolarHBondContact O-N 2.62Å; E127-A129 PolarHBondContact O-N 3.43Å; E127-G130 PolarHBondContact O-N 3.34Å; E127-I131 WeakPolarHBondContact O-CG1 3.3Å; E127-I131 PolarHBondContact O-N 2.95Å |
| 128 | G | 86.6 | Confident | 87.2 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A124 L132 | A124-G128 WeakPolarHBondContact O-CA 3.36Å; A124-G128 PolarHBondContact O-N 3.37Å; G128-L132 PolarHBondContact O-N 2.82Å; G128-L132 VanDerWaalsContact O-N 3.08Å |
| 129 | A | 88 | Confident | 85.7 | Confident | 47 Ų | 47 | 76.8 Ų | 76.8 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L125 I126 E127 L132 L133 | L125-A129 WeakPolarHBondContact O-CB 3.41Å; L125-A129 PolarHBondContact O-N 2.78Å; I126-A129 PolarHBondContact O-N 3.49Å; E127-A129 PolarHBondContact O-N 3.43Å; A129-L132 PolarHBondContact O-N 3.49Å; A129-L133 WeakPolarHBondContact O-CB 3.35Å; A129-L133 VanDerWaalsContact O-CG 3.3Å; A129-L133 WeakPolarHBondContact O-CG 3.44Å; A129-L133 PolarHBondContact O-N 2.92Å |
| 130 | G | 85.8 | Confident | 84.3 | Confident | 31 Ų | 31 | 82.3 Ų | 82.3 | 32% | 0.32 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I126 E127 L132 L133 T134 | I126-G130 PolarHBondContact O-N 3.43Å; E127-G130 PolarHBondContact O-N 3.34Å; G130-L132 VanDerWaalsContact C-N 3.33Å; G130-L132 PolarHBondContact O-N 3.25Å; G130-L133 PolarHBondContact O-N 3.45Å; G130-T134 WeakPolarHBondContact O-CB 3.48Å; G130-T134 PolarHBondContact O-N 3.15Å; G130-T134 PolarHBondContact O-OG1 2.8Å; G130-T134 VanDerWaalsContact O-OG1 3.11Å |
| 131 | I | 86.3 | Confident | 82.5 | Confident | 90 Ų | 90 | 89.6 Ų | 89.6 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 176.2 | -65.5 | 166.2 | 0 | 0 | 0 | 110.8 | P89 E127 T134 R135 | P89-I131 HydrophobicContact CG-CD1 4.19Å; E127-I131 WeakPolarHBondContact O-CG1 3.3Å; E127-I131 PolarHBondContact O-N 2.95Å; I131-T134 PolarHBondContact O-N 3.42Å; I131-R135 HydrophobicContact CG2-CG 4.35Å; I131-R135 WeakPolarHBondContact O-CB 3.34Å; I131-R135 WeakPolarHBondContact O-CG 3.43Å; I131-R135 PolarHBondContact O-N 2.89Å |
| 132 | L | 84.4 | Confident | 80.6 | Confident | 123 Ų | 123 | 90.2 Ų | 90.2 | 64% | 0.644 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | -179.8 | -177.2 | 63.3 | 0 | 0 | 0 | 112.3 | G128 A129 G130 R135 F136 | G128-L132 PolarHBondContact O-N 2.82Å; G128-L132 VanDerWaalsContact O-N 3.08Å; A129-L132 PolarHBondContact O-N 3.49Å; G130-L132 VanDerWaalsContact C-N 3.33Å; G130-L132 PolarHBondContact O-N 3.25Å; L132-R135 PolarHBondContact O-N 2.83Å; L132-F136 WeakPolarHBondContact O-CB 3.27Å; L132-F136 PolarHBondContact O-N 3.11Å |
| 133 | L | 85.8 | Confident | 78.7 | Confident | 122 Ų | 122 | 92.2 Ų | 92.2 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 177.8 | -73.1 | 172.3 | 0 | 0 | 0 | 111.3 | A129 G130 R135 F136 A137 | A129-L133 WeakPolarHBondContact O-CB 3.35Å; A129-L133 VanDerWaalsContact O-CG 3.3Å; A129-L133 WeakPolarHBondContact O-CG 3.44Å; A129-L133 PolarHBondContact O-N 2.92Å; G130-L133 PolarHBondContact O-N 3.45Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.63Å; L133-F136 PolarHBondContact O-N 3.27Å; L133-A137 WeakPolarHBondContact O-CB 3.44Å; L133-A137 PolarHBondContact O-N 3.44Å |
| 134 | T | 84.3 | Confident | 76.6 | Confident | 98 Ų | 98 | 94.3 Ų | 94.3 | 60% | 0.601 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 175.5 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | G130 I131 A137 S138 | G130-T134 WeakPolarHBondContact O-CB 3.48Å; G130-T134 PolarHBondContact O-N 3.15Å; G130-T134 PolarHBondContact O-OG1 2.8Å; G130-T134 VanDerWaalsContact O-OG1 3.11Å; I131-T134 PolarHBondContact O-N 3.42Å; T134-A137 PolarHBondContact O-N 3.08Å; T134-S138 WeakPolarHBondContact O-CB 3.35Å; T134-S138 PolarHBondContact O-N 2.9Å; T134-S138 PolarHBondContact O-OG 3.29Å |
| 135 | R | 81.6 | Confident | 74.5 | Confident | 182 Ų | 182 | 97.4 Ų | 97.4 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.3 | -45.5 | 174.8 | -73.2 | -74.7 | -175.9 | 176.3 | 0.1 | 111.7 | I131 L132 L133 S138 S139 | I131-R135 HydrophobicContact CG2-CG 4.35Å; I131-R135 WeakPolarHBondContact O-CB 3.34Å; I131-R135 WeakPolarHBondContact O-CG 3.43Å; I131-R135 PolarHBondContact O-N 2.89Å; L132-R135 PolarHBondContact O-N 2.83Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.63Å; R135-S138 WeakPolarHBondContact CA-OG 3.36Å; R135-S138 PolarHBondContact O-N 3.05Å; R135-S138 PolarHBondContact O-OG 3.38Å; R135-S139 PolarHBondContact O-N 2.73Å |
| 136 | F | 80.6 | Confident | 72.4 | Confident | 129 Ų | 129 | 101.2 Ų | 101.2 | 57% | 0.566 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -45.8 | 177.4 | -171 | -99.8 | 0 | 0 | 0 | 111.8 | L132 L133 S138 S139 Q140 | L132-F136 WeakPolarHBondContact O-CB 3.27Å; L132-F136 PolarHBondContact O-N 3.11Å; L133-F136 PolarHBondContact O-N 3.27Å; F136-S138 VanDerWaalsContact C-N 3.33Å; F136-S138 PolarHBondContact O-N 3.08Å; F136-S139 PolarHBondContact O-N 3.41Å; F136-S139 VanDerWaalsContact O-N 3.08Å; F136-S139 PolarHBondContact O-OG 3.09Å; F136-Q140 HydrophobicContact CD1-CG 4.44Å; F136-Q140 HydrophobicContact CE1-CG 4.18Å; F136-Q140 WeakPolarHBondContact O-CG 3.46Å; F136-Q140 PolarHBondContact O-N 3.46Å |
| 137 | A | 80.3 | Confident | 69.9 | Low | 52 Ų | 52 | 104.7 Ų | 104.7 | 43% | 0.43 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.3 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L133 T134 S139 Q140 F141 | L133-A137 WeakPolarHBondContact O-CB 3.44Å; L133-A137 PolarHBondContact O-N 3.44Å; T134-A137 PolarHBondContact O-N 3.08Å; A137-S139 VanDerWaalsContact C-N 3.26Å; A137-S139 PolarHBondContact O-N 3.38Å; A137-Q140 PolarHBondContact O-N 3.29Å; A137-Q140 VanDerWaalsContact O-N 3.11Å; A137-F141 PolarHBondContact O-N 3.34Å |
| 138 | S | 68.4 | Low | 67.4 | Low | 67 Ų | 67 | 106.4 Ų | 106.4 | 47% | 0.469 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.4 | -27 | 175.6 | 71.8 | 0 | 0 | 0 | 0 | 113.3 | T134 R135 F136 Q140 F141 | T134-S138 WeakPolarHBondContact O-CB 3.35Å; T134-S138 PolarHBondContact O-N 2.9Å; T134-S138 PolarHBondContact O-OG 3.29Å; R135-S138 WeakPolarHBondContact CA-OG 3.36Å; R135-S138 PolarHBondContact O-N 3.05Å; R135-S138 PolarHBondContact O-OG 3.38Å; F136-S138 VanDerWaalsContact C-N 3.33Å; F136-S138 PolarHBondContact O-N 3.08Å; S138-Q140 VanDerWaalsContact C-N 3.32Å; S138-F141 CarbonylContact O-C 3.57Å; S138-F141 VanDerWaalsContact O-O 3.08Å |
| 139 | S | 63.1 | Low | 65.2 | Low | 74 Ų | 74 | 112.8 Ų | 112.8 | 52% | 0.517 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -77.1 | -18.1 | 174.6 | 74.2 | 0 | 0 | 0 | 0 | 113.6 | R135 F136 A137 | R135-S139 PolarHBondContact O-N 2.73Å; F136-S139 PolarHBondContact O-N 3.41Å; F136-S139 VanDerWaalsContact O-N 3.08Å; F136-S139 PolarHBondContact O-OG 3.09Å; A137-S139 VanDerWaalsContact C-N 3.26Å; A137-S139 PolarHBondContact O-N 3.38Å |
| 140 | Q | 61.4 | Low | 62.8 | Low | 124 Ų | 124 | 118.7 Ų | 118.7 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -87.6 | -20.5 | 177.5 | -63.4 | -74.3 | -94.2 | 0 | 0 | 112.4 | F136 A137 S138 | F136-Q140 HydrophobicContact CD1-CG 4.44Å; F136-Q140 HydrophobicContact CE1-CG 4.18Å; F136-Q140 WeakPolarHBondContact O-CG 3.46Å; F136-Q140 PolarHBondContact O-N 3.46Å; A137-Q140 PolarHBondContact O-N 3.29Å; A137-Q140 VanDerWaalsContact O-N 3.11Å; S138-Q140 VanDerWaalsContact C-N 3.32Å |
| 141 | F | 56.1 | Low | 60.6 | Low | 164 Ų | 164 | 123 Ų | 123 | 72% | 0.719 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -124.4 | 93.9 | 173.8 | -61.5 | -77.8 | 0 | 0 | 0 | 110.3 | A137 S138 T143 | A137-F141 PolarHBondContact O-N 3.34Å; S138-F141 CarbonylContact O-C 3.57Å; S138-F141 VanDerWaalsContact O-O 3.08Å; F141-T143 PolarHBondContact O-N 3.22Å |
| 142 | P | 52.7 | Low | 58.2 | Low | 117 Ų | 117 | 122.7 Ų | 122.7 | 76% | 0.76 | 68% | 0.683 | S | S | * | * | trans | -60.2 | 112.5 | 170 | -14.8 | 27.7 | 0 | 0 | 0 | 108.3 | G144 | P142-G144 PolarHBondContact O-N 3Å; P142-G144 VanDerWaalsContact O-N 3.09Å | ||
| 143 | T | 54 | Low | 56.4 | Low | 138 Ų | 138 | 123.1 Ų | 123.1 | 85% | 0.847 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 116.8 | 168 | 44.5 | 0 | 0 | 0 | 0 | 107.9 | F141 | F141-T143 PolarHBondContact O-N 3.22Š|
| 144 | G | 48.1 | Very low | 54.2 | Low | 58 Ų | 58 | 125.6 Ų | 125.6 | 60% | 0.598 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 159.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P142 | P142-G144 PolarHBondContact O-N 3Å; P142-G144 VanDerWaalsContact O-N 3.09Å |
| 145 | P | 46.9 | Very low | 52.2 | Low | 103 Ų | 103 | 127 Ų | 127 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -63 | 139.1 | -162.6 | 25 | -34.1 | 0 | 0 | 0 | 113.4 | F147 | P145-F147 HydrophobicContact CB-CD2 4.04Å; P145-F147 HydrophobicContact CB-CE2 3.6Å; P145-F147 HydrophobicContact CB-CZ 4.29Å; P145-F147 HydrophobicContact CG-CD2 4.04Å; P145-F147 HydrophobicContact CG-CE2 3.5Å; P145-F147 HydrophobicContact CG-CZ 4.45Å; P145-F147 PolarHBondContact O-N 2.92Å |
| 146 | Q | 47.4 | Very low | 50.2 | Low | 198 Ų | 198 | 122.7 Ų | 122.7 | 93% | 0.925 | 72% | 0.718 | S | S | * | * | trans | -68.9 | 111.9 | 167.9 | -59.4 | -167.8 | -65.6 | 0 | 0 | 109.7 | ||||
| 147 | F | 38.7 | Very low | 47.9 | Very low | 182 Ų | 182 | 122.4 Ų | 122.4 | 80% | 0.798 | 73% | 0.729 | S | S | * | * | trans | -131.5 | 131.9 | 161.4 | -61.7 | -80.2 | 0 | 0 | 0 | 105.4 | P145 | P145-F147 HydrophobicContact CB-CD2 4.04Å; P145-F147 HydrophobicContact CB-CE2 3.6Å; P145-F147 HydrophobicContact CB-CZ 4.29Å; P145-F147 HydrophobicContact CG-CD2 4.04Å; P145-F147 HydrophobicContact CG-CE2 3.5Å; P145-F147 HydrophobicContact CG-CZ 4.45Å; P145-F147 PolarHBondContact O-N 2.92Å | ||
| 148 | A | 34.8 | Very low | 46.2 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | cis | -160.4 | 159.5 | -3.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 149 | E | 41.4 | Very low | 44.4 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -70.5 | 145 | 175.3 | -159.6 | 118.8 | 79.5 | 0 | 0 | 112.5 | ||||
| 150 | E | 36.9 | Very low | 43.1 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | 77.2 | 149.2 | 150.9 | -122.6 | 136.1 | 84.1 | 0 | 0 | 120.5 | ||||
| 151 | P | 38.9 | Very low | 41.7 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | cis | -140.2 | 172.4 | 24.9 | 39.8 | -17.2 | 0 | 0 | 0 | 120.3 | ||||
| 152 | A | 36.7 | Very low | 40.8 | Very low | 85 Ų | 85 | 129.8 Ų | 129.8 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | -2.5 | 150.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 153 | P | 47.2 | Very low | 40.2 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79 | 130.4 | -167.5 | 32.5 | -33.3 | 0 | 0 | 0 | 113.2 | ||
| 154 | M | 38 | Very low | 39.3 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 142.7 | 165.9 | -71.3 | -125.3 | -70.6 | 0 | 0 | 110.6 | A156 | M154-A156 PolarHBondContact O-N 3.43Š|
| 155 | P | 44.1 | Very low | 38.7 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 123.7 | -168.6 | 30.9 | -32.3 | 0 | 0 | 0 | 110.7 | ||
| 156 | A | 38.8 | Very low | 38.1 | Very low | 93 Ų | 93 | 149.3 Ų | 149.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 143.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | M154 | M154-A156 PolarHBondContact O-N 3.43Š|
| 157 | P | 32.8 | Very low | 37.7 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 145.3 | -171.5 | 0.2 | 15 | 0 | 0 | 0 | 112.1 | Y159 | P157-Y159 PolarHBondContact O-N 3.32Š|
| 158 | S | 43.9 | Very low | 37.6 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 116 | 167.9 | 48 | 0 | 0 | 0 | 0 | 112.3 | ||
| 159 | Y | 31.1 | Very low | 37.8 | Very low | 231 Ų | 231 | 154.1 Ų | 154.1 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | -130.1 | 123 | 151.6 | -148.3 | -94.4 | 0 | 0 | 0 | 108.9 | P157 | P157-Y159 PolarHBondContact O-N 3.32Š| ||
| 160 | G | 35.7 | Very low | 37.6 | Very low | 79 Ų | 79 | 153.1 Ų | 153.1 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | trans | -65.1 | 147.4 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 161 | G | 32 | Very low | 37.6 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | -168.7 | 66.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y163 | G161-Y163 PolarHBondContact O-N 2.98Å; G161-Y163 VanDerWaalsContact O-N 3.12Å | ||
| 162 | D | 36.9 | Very low | 37.5 | Very low | 133 Ų | 133 | 154 Ų | 154 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | trans | -56.5 | 104.2 | 178.1 | -136.6 | -31.1 | 0 | 0 | 0 | 110.7 | ||||
| 163 | Y | 40.3 | Very low | 37.6 | Very low | 232 Ų | 232 | 158.6 Ų | 158.6 | 91% | 0.91 | 85% | 0.847 | S | S | * | * | trans | -141.6 | 63.4 | 147.5 | -69.5 | -70.7 | 0 | 0 | 0 | 108.2 | G161 | G161-Y163 PolarHBondContact O-N 2.98Å; G161-Y163 VanDerWaalsContact O-N 3.12Å | ||
| 164 | R | 34.5 | Very low | 36.9 | Very low | 209 Ų | 209 | 160.5 Ų | 160.5 | 79% | 0.789 | 85% | 0.847 | S | S | * | * | trans | -54.4 | 147.7 | 154.7 | -146.4 | -177.7 | -178 | 165.8 | 0.5 | 108.4 | ||||
| 165 | Q | 34.9 | Very low | 36.8 | Very low | 164 Ų | 164 | 159.5 Ų | 159.5 | 77% | 0.766 | 85% | 0.846 | S | S | * | * | trans | 112 | 90.1 | 138.3 | -148.9 | 174.4 | -12.3 | 0 | 0 | 117.2 | ||||
| 166 | Y | 33.9 | Very low | 36.2 | Very low | 221 Ų | 221 | 162.3 Ų | 162.3 | 87% | 0.867 | 85% | 0.848 | S | S | * | * | trans | 35 | 112.7 | 131.2 | -68.3 | -86.1 | 0 | 0 | 0 | 119.4 | ||||
| 167 | Q | 39.7 | Very low | 36 | Very low | 270 Ų | 270 | 168.5 Ų | 168.5 | 100% | 1.262 | 86% | 0.855 | S | S | * | * | -161.7 | 0 | 114.3 | -114.8 | 173.7 | -4 | 0 | 0 | 111.2 |
Retrieved 167 of 167 residues in 454 ms
(Link to these results)