| 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 | 58.3 | Low | 73.1 | Confident | 209 Ų | 209 | 135.7 Ų | 135.7 | 100% | 1.03 | 65% | 0.646 | S | S | * | * | 0 | -31.7 | 0 | -71.4 | -155.3 | -177.4 | 0 | 0 | 114.8 | |||||
| 2 | A | 64.5 | Low | 74.4 | Confident | 85 Ų | 85 | 134.2 Ų | 134.2 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.1 | -36.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K5 K6 | A2-K5 PolarHBondContact O-N 2.82Å; A2-K6 PolarHBondContact O-N 2.99Å |
| 3 | R | 63.3 | Low | 75.7 | Confident | 214 Ų | 214 | 132.5 Ų | 132.5 | 81% | 0.808 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.7 | -48.3 | 179.6 | -129.6 | 176.3 | -174.8 | 172.1 | 0.7 | 112.9 | K5 K6 D7 | R3-K5 VanDerWaalsContact C-N 3.25Å; R3-K5 PolarHBondContact O-N 3.47Å; R3-K6 WeakPolarHBondContact O-CB 3.45Å; R3-K6 PolarHBondContact O-N 3.22Å; R3-D7 PolarHBondContact O-N 3.1Å |
| 4 | A | 67.4 | Low | 76.9 | Confident | 67 Ų | 67 | 130.1 Ų | 130.1 | 55% | 0.554 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.5 | -28.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R8 | A4-R8 WeakPolarHBondContact O-CB 3.06Å; A4-R8 PolarHBondContact O-N 2.88Å |
| 5 | K | 71.1 | Confident | 77.9 | Confident | 152 Ų | 152 | 130.1 Ų | 130.1 | 66% | 0.661 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.7 | -34.4 | 173.7 | -68.9 | -174 | 177.3 | -174.5 | 0 | 112.1 | A2 R3 N9 | A2-K5 PolarHBondContact O-N 2.82Å; R3-K5 VanDerWaalsContact C-N 3.25Å; R3-K5 PolarHBondContact O-N 3.47Å; K5-N9 PolarHBondContact O-N 3.33Å |
| 6 | K | 73.3 | Confident | 78.9 | Confident | 149 Ų | 149 | 126.4 Ų | 126.4 | 65% | 0.648 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.8 | -47.4 | 176.1 | -170.7 | 179.7 | 177.6 | -178.4 | 0 | 111.2 | A2 R3 R8 N9 E10 | A2-K6 PolarHBondContact O-N 2.99Å; R3-K6 WeakPolarHBondContact O-CB 3.45Å; R3-K6 PolarHBondContact O-N 3.22Å; K6-R8 VanDerWaalsContact C-N 3.3Å; K6-R8 PolarHBondContact O-N 2.76Å; K6-N9 PolarHBondContact O-N 3.15Å; K6-E10 PolarHBondContact O-N 3.33Å |
| 7 | D | 73.1 | Confident | 79.8 | Confident | 74 Ų | 74 | 127.6 Ų | 127.6 | 40% | 0.396 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.8 | -40.3 | 178.8 | -59.3 | -17.7 | 0 | 0 | 0 | 111 | R3 N9 E10 Y11 | R3-D7 PolarHBondContact O-N 3.1Å; D7-N9 VanDerWaalsContact C-N 3.35Å; D7-N9 PolarHBondContact O-N 2.8Å; D7-E10 PolarHBondContact O-N 3.19Å; D7-Y11 HydrophobicContact CB-CE2 4.44Å; D7-Y11 WeakPolarHBondContact O-CD2 3.36Å; D7-Y11 PolarHBondContact O-N 3.23Å |
| 8 | R | 77 | Confident | 80.6 | Confident | 191 Ų | 191 | 127.1 Ų | 127.1 | 72% | 0.721 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.1 | -40 | 176.6 | -168.1 | -179.8 | 179.6 | -179.5 | 0.2 | 112.7 | A4 K6 Q12 | A4-R8 WeakPolarHBondContact O-CB 3.06Å; A4-R8 PolarHBondContact O-N 2.88Å; K6-R8 VanDerWaalsContact C-N 3.3Å; K6-R8 PolarHBondContact O-N 2.76Å; R8-Q12 WeakPolarHBondContact O-CB 3.49Å; R8-Q12 PolarHBondContact O-N 3.3Å; R8-Q12 VanDerWaalsContact O-N 3.12Å |
| 9 | N | 81.6 | Confident | 81.4 | Confident | 97 Ų | 97 | 124 Ų | 124 | 52% | 0.519 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.2 | -38.5 | 175 | -81.9 | 18.6 | 0 | 0 | 0 | 111.6 | K5 K6 D7 Q12 E13 | K5-N9 PolarHBondContact O-N 3.33Å; K6-N9 PolarHBondContact O-N 3.15Å; D7-N9 VanDerWaalsContact C-N 3.35Å; D7-N9 PolarHBondContact O-N 2.8Å; N9-Q12 WeakPolarHBondContact O-CB 3.38Å; N9-Q12 PolarHBondContact O-N 3.03Å; N9-E13 WeakPolarHBondContact O-CG 3.42Å; N9-E13 PolarHBondContact O-N 3.3Å |
| 10 | E | 87.1 | Confident | 81.9 | Confident | 93 Ų | 93 | 122.6 Ų | 122.6 | 44% | 0.435 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.2 | -43 | 179.4 | -169 | 166.4 | -170.7 | 0 | 0 | 112.2 | K6 D7 Q12 E13 Q14 | K6-E10 PolarHBondContact O-N 3.33Å; D7-E10 PolarHBondContact O-N 3.19Å; E10-Q12 VanDerWaalsContact C-N 3.3Å; E10-Q12 PolarHBondContact O-N 3.02Å; E10-E13 PolarHBondContact O-N 3.39Å; E10-Q14 WeakPolarHBondContact O-CG 3.48Å; E10-Q14 PolarHBondContact O-N 3.38Å |
| 11 | Y | 87.6 | Confident | 82.4 | Confident | 162 Ų | 162 | 119.3 Ų | 119.3 | 64% | 0.635 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.3 | -35.8 | 172.8 | -75.3 | -65.3 | 0 | 0 | 0 | 112.6 | D7 Q14 F15 | D7-Y11 HydrophobicContact CB-CE2 4.44Å; D7-Y11 WeakPolarHBondContact O-CD2 3.36Å; D7-Y11 PolarHBondContact O-N 3.23Å; Y11-Q14 PolarHBondContact O-N 3.23Å; Y11-F15 WeakPolarHBondContact O-CB 3.43Å; Y11-F15 PolarHBondContact O-N 3.24Å |
| 12 | Q | 88.3 | Confident | 84 | Confident | 117 Ų | 117 | 112.4 Ų | 112.4 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.6 | -176.2 | 174.3 | -16.8 | 0 | 0 | 111.3 | R8 N9 E10 F15 V16 | R8-Q12 WeakPolarHBondContact O-CB 3.49Å; R8-Q12 PolarHBondContact O-N 3.3Å; R8-Q12 VanDerWaalsContact O-N 3.12Å; N9-Q12 WeakPolarHBondContact O-CB 3.38Å; N9-Q12 PolarHBondContact O-N 3.03Å; E10-Q12 VanDerWaalsContact C-N 3.3Å; E10-Q12 PolarHBondContact O-N 3.02Å; Q12-F15 PolarHBondContact O-N 3.3Å; Q12-V16 WeakPolarHBondContact O-CG2 3.48Å; Q12-V16 PolarHBondContact O-N 3.41Å |
| 13 | E | 92 | Very high | 85 | Confident | 113 Ų | 113 | 111.3 Ų | 111.3 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 175.9 | -73.7 | 178.9 | -170.7 | 0 | 0 | 113 | N9 E10 R17 | N9-E13 WeakPolarHBondContact O-CG 3.42Å; N9-E13 PolarHBondContact O-N 3.3Å; E10-E13 PolarHBondContact O-N 3.39Å; E13-R17 WeakPolarHBondContact O-CG 3.34Å; E13-R17 PolarHBondContact O-N 3.46Å; E13-R17 VanDerWaalsContact O-N 3.12Å; E13-R17 PolarHBondContact O-NE 3.29Å; E13-R17 IonicContact OE2-NH2 3.92Å |
| 14 | Q | 91.8 | Very high | 86.2 | Confident | 98 Ų | 98 | 106.9 Ų | 106.9 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 173.5 | -72.6 | -179 | 14.2 | 0 | 0 | 111.6 | E10 Y11 R17 F18 | E10-Q14 WeakPolarHBondContact O-CG 3.48Å; E10-Q14 PolarHBondContact O-N 3.38Å; Y11-Q14 PolarHBondContact O-N 3.23Å; Q14-R17 PolarHBondContact O-N 3.06Å; Q14-F18 WeakPolarHBondContact O-CB 3.49Å; Q14-F18 PolarHBondContact O-N 3.07Å |
| 15 | F | 92.1 | Very high | 87.1 | Confident | 130 Ų | 130 | 109.2 Ų | 109.2 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 177.2 | -177 | -105.3 | 0 | 0 | 0 | 112 | Y11 Q12 F18 I19 | Y11-F15 WeakPolarHBondContact O-CB 3.43Å; Y11-F15 PolarHBondContact O-N 3.24Å; Q12-F15 PolarHBondContact O-N 3.3Å; F15-F18 WeakPolarHBondContact O-CB 3.37Å; F15-F18 PolarHBondContact O-N 3.45Å; F15-I19 HydrophobicContact CD1-CG1 4.36Å; F15-I19 HydrophobicContact CE1-CD1 4.47Å; F15-I19 HydrophobicContact CE1-CG1 3.95Å; F15-I19 HydrophobicContact CE2-CD1 4.27Å; F15-I19 HydrophobicContact CE2-CG1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 3.97Å; F15-I19 HydrophobicContact CZ-CG1 3.93Å; F15-I19 WeakPolarHBondContact O-CG1 3.45Å; F15-I19 PolarHBondContact O-N 2.8Å |
| 16 | V | 94 | Very high | 87.7 | Confident | 71 Ų | 71 | 109.9 Ų | 109.9 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Q12 F18 I19 D20 | Q12-V16 WeakPolarHBondContact O-CG2 3.48Å; Q12-V16 PolarHBondContact O-N 3.41Å; V16-F18 PolarHBondContact O-N 3.35Å; V16-I19 PolarHBondContact O-N 2.74Å; V16-I19 VanDerWaalsContact O-N 3.08Å; V16-D20 VanDerWaalsContact O-CG 3.3Å; V16-D20 PolarHBondContact O-N 3.31Å |
| 17 | R | 94.2 | Very high | 88 | Confident | 147 Ų | 147 | 106.3 Ų | 106.3 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.8 | -36.4 | 177.3 | -77.3 | -175.7 | -80.7 | -151.1 | -5.8 | 113.3 | E13 Q14 S21 | E13-R17 WeakPolarHBondContact O-CG 3.34Å; E13-R17 PolarHBondContact O-N 3.46Å; E13-R17 VanDerWaalsContact O-N 3.12Å; E13-R17 PolarHBondContact O-NE 3.29Å; E13-R17 IonicContact OE2-NH2 3.92Å; Q14-R17 PolarHBondContact O-N 3.06Å; R17-S21 WeakPolarHBondContact O-CB 3.42Å; R17-S21 PolarHBondContact O-N 2.85Å |
| 18 | F | 93.9 | Very high | 88.1 | Confident | 119 Ų | 119 | 108 Ų | 108 | 52% | 0.522 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 175.5 | 173.6 | -108.4 | 0 | 0 | 0 | 112.1 | Q14 F15 V16 S21 I22 | Q14-F18 WeakPolarHBondContact O-CB 3.49Å; Q14-F18 PolarHBondContact O-N 3.07Å; F15-F18 WeakPolarHBondContact O-CB 3.37Å; F15-F18 PolarHBondContact O-N 3.45Å; V16-F18 PolarHBondContact O-N 3.35Å; F18-S21 PolarHBondContact O-N 3.32Å; F18-I22 HydrophobicContact CD1-CD1 4.02Å; F18-I22 HydrophobicContact CD2-CD1 4.28Å; F18-I22 HydrophobicContact CE1-CD1 3.42Å; F18-I22 VanDerWaalsContact CE1-CD1 3.42Å; F18-I22 HydrophobicContact CE2-CD1 3.71Å; F18-I22 HydrophobicContact CE2-CG1 4.27Å; F18-I22 HydrophobicContact CG-CD1 4.44Å; F18-I22 HydrophobicContact CZ-CD1 3.26Å; F18-I22 HydrophobicContact CZ-CG1 4.29Å; F18-I22 WeakPolarHBondContact O-CG1 3.35Å; F18-I22 PolarHBondContact O-N 3.44Å |
| 19 | I | 95.3 | Very high | 88.4 | Confident | 68 Ų | 68 | 104.6 Ų | 104.6 | 35% | 0.349 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 176.2 | -65.6 | -61.6 | 0 | 0 | 0 | 111.2 | F15 V16 S21 I22 S23 | F15-I19 HydrophobicContact CD1-CG1 4.36Å; F15-I19 HydrophobicContact CE1-CD1 4.47Å; F15-I19 HydrophobicContact CE1-CG1 3.95Å; F15-I19 HydrophobicContact CE2-CD1 4.27Å; F15-I19 HydrophobicContact CE2-CG1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 3.97Å; F15-I19 HydrophobicContact CZ-CG1 3.93Å; F15-I19 WeakPolarHBondContact O-CG1 3.45Å; F15-I19 PolarHBondContact O-N 2.8Å; V16-I19 PolarHBondContact O-N 2.74Å; V16-I19 VanDerWaalsContact O-N 3.08Å; I19-S21 PolarHBondContact O-N 3.12Å; I19-I22 PolarHBondContact O-N 3.26Å; I19-S23 WeakPolarHBondContact O-CB 3.31Å; I19-S23 PolarHBondContact O-N 2.8Å; I19-S23 PolarHBondContact O-OG 2.92Å |
| 20 | D | 93.1 | Very high | 88.3 | Confident | 95 Ų | 95 | 102.5 Ų | 102.5 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.6 | -65.4 | -23.6 | 0 | 0 | 0 | 110.9 | V16 I22 S23 E24 | V16-D20 VanDerWaalsContact O-CG 3.3Å; V16-D20 PolarHBondContact O-N 3.31Å; D20-I22 PolarHBondContact O-N 3.44Å; D20-S23 PolarHBondContact O-N 2.99Å; D20-E24 PolarHBondContact O-N 2.96Å |
| 21 | S | 92.5 | Very high | 88.3 | Confident | 55 Ų | 55 | 103.4 Ų | 103.4 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 178.4 | 178.6 | 0 | 0 | 0 | 0 | 113.3 | R17 F18 I19 H25 | R17-S21 WeakPolarHBondContact O-CB 3.42Å; R17-S21 PolarHBondContact O-N 2.85Å; F18-S21 PolarHBondContact O-N 3.32Å; I19-S21 PolarHBondContact O-N 3.12Å; S21-H25 PolarHBondContact O-N 3.01Å; S21-H25 PolarHBondContact O-ND1 3.17Å; S21-H25 VanDerWaalsContact O-ND1 3.11Å |
| 22 | I | 91.8 | Very high | 88.3 | Confident | 64 Ų | 64 | 97.6 Ų | 97.6 | 33% | 0.328 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 174.3 | -71.7 | 176.6 | 0 | 0 | 0 | 110.1 | F18 I19 D20 E24 H25 Y26 | F18-I22 HydrophobicContact CD1-CD1 4.02Å; F18-I22 HydrophobicContact CD2-CD1 4.28Å; F18-I22 HydrophobicContact CE1-CD1 3.42Å; F18-I22 VanDerWaalsContact CE1-CD1 3.42Å; F18-I22 HydrophobicContact CE2-CD1 3.71Å; F18-I22 HydrophobicContact CE2-CG1 4.27Å; F18-I22 HydrophobicContact CG-CD1 4.44Å; F18-I22 HydrophobicContact CZ-CD1 3.26Å; F18-I22 HydrophobicContact CZ-CG1 4.29Å; F18-I22 WeakPolarHBondContact O-CG1 3.35Å; F18-I22 PolarHBondContact O-N 3.44Å; I19-I22 PolarHBondContact O-N 3.26Å; D20-I22 PolarHBondContact O-N 3.44Å; I22-E24 VanDerWaalsContact C-N 3.3Å; I22-E24 PolarHBondContact O-N 3.32Å; I22-H25 PolarHBondContact O-N 2.94Å; I22-Y26 HydrophobicContact CG2-CD2 3.65Å; I22-Y26 HydrophobicContact CG2-CE2 3.76Å; I22-Y26 WeakPolarHBondContact O-CD2 3.41Å; I22-Y26 PolarHBondContact O-N 3.25Å |
| 23 | S | 84.8 | Confident | 88.3 | Confident | 62 Ų | 62 | 96.3 Ų | 96.3 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | -177.2 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | I19 D20 Y26 V27 | I19-S23 WeakPolarHBondContact O-CB 3.31Å; I19-S23 PolarHBondContact O-N 2.8Å; I19-S23 PolarHBondContact O-OG 2.92Å; D20-S23 PolarHBondContact O-N 2.99Å; S23-Y26 PolarHBondContact O-N 3.24Å; S23-V27 WeakPolarHBondContact O-CG2 2.95Å; S23-V27 PolarHBondContact O-N 3.46Å; S23-V27 VanDerWaalsContact O-N 3.12Å |
| 24 | E | 87.7 | Confident | 88.3 | Confident | 121 Ų | 121 | 97.5 Ų | 97.5 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.1 | -49.9 | 175.4 | -172.3 | 171.2 | -149.7 | 0 | 0 | 112 | D20 I22 Y26 V27 E28 | D20-E24 PolarHBondContact O-N 2.96Å; I22-E24 VanDerWaalsContact C-N 3.3Å; I22-E24 PolarHBondContact O-N 3.32Å; E24-Y26 VanDerWaalsContact C-N 3.28Å; E24-Y26 PolarHBondContact O-N 3.46Å; E24-V27 WeakPolarHBondContact O-CB 3.46Å; E24-V27 PolarHBondContact O-N 2.96Å; E24-V27 VanDerWaalsContact O-N 3.11Å; E24-E28 WeakPolarHBondContact O-CG 3.47Å; E24-E28 PolarHBondContact O-N 3.2Å |
| 25 | H | 86.8 | Confident | 88.3 | Confident | 115 Ų | 115 | 97.2 Ų | 97.2 | 53% | 0.532 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -35.2 | 178.1 | -85.4 | 70.1 | 0 | 0 | 0 | 113.1 | S21 I22 L29 | S21-H25 PolarHBondContact O-N 3.01Å; S21-H25 PolarHBondContact O-ND1 3.17Å; S21-H25 VanDerWaalsContact O-ND1 3.11Å; I22-H25 PolarHBondContact O-N 2.94Å; H25-L29 WeakPolarHBondContact O-CB 3.43Å; H25-L29 PolarHBondContact O-N 3.43Å |
| 26 | Y | 84.6 | Confident | 88.3 | Confident | 166 Ų | 166 | 93.9 Ų | 93.9 | 65% | 0.651 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.5 | -36.7 | 176.7 | -94.8 | -87.2 | 0 | 0 | 0 | 112.4 | I22 S23 E24 S30 | I22-Y26 HydrophobicContact CG2-CD2 3.65Å; I22-Y26 HydrophobicContact CG2-CE2 3.76Å; I22-Y26 WeakPolarHBondContact O-CD2 3.41Å; I22-Y26 PolarHBondContact O-N 3.25Å; S23-Y26 PolarHBondContact O-N 3.24Å; E24-Y26 VanDerWaalsContact C-N 3.28Å; E24-Y26 PolarHBondContact O-N 3.46Å; Y26-S30 WeakPolarHBondContact O-CB 3.43Å; Y26-S30 PolarHBondContact O-N 3.45Å; Y26-S30 PolarHBondContact O-OG 2.99Å |
| 27 | V | 79.1 | Confident | 88.3 | Confident | 74 Ų | 74 | 95.4 Ų | 95.4 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -51.6 | 173.7 | 172.6 | 0 | 0 | 0 | 0 | 109.4 | S23 E24 L29 S30 E31 | S23-V27 WeakPolarHBondContact O-CG2 2.95Å; S23-V27 PolarHBondContact O-N 3.46Å; S23-V27 VanDerWaalsContact O-N 3.12Å; E24-V27 WeakPolarHBondContact O-CB 3.46Å; E24-V27 PolarHBondContact O-N 2.96Å; E24-V27 VanDerWaalsContact O-N 3.11Å; V27-L29 VanDerWaalsContact C-N 3.31Å; V27-L29 PolarHBondContact O-N 3.26Å; V27-S30 PolarHBondContact O-N 3.39Å; V27-S30 VanDerWaalsContact O-N 3.09Å; V27-S30 PolarHBondContact O-OG 3.25Å; V27-E31 HydrophobicContact CG1-CG 4.4Å; V27-E31 WeakPolarHBondContact O-CG 3.38Å; V27-E31 PolarHBondContact O-N 3Å |
| 28 | E | 75.2 | Confident | 88.4 | Confident | 109 Ų | 109 | 92.9 Ų | 92.9 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.3 | -43.7 | 178.5 | -70.2 | -179.6 | 175.6 | 0 | 0 | 112.4 | E24 S30 E31 G32 | E24-E28 WeakPolarHBondContact O-CG 3.47Å; E24-E28 PolarHBondContact O-N 3.2Å; E28-S30 PolarHBondContact O-N 3.38Å; E28-E31 PolarHBondContact O-N 3.25Å; E28-G32 PolarHBondContact O-N 3.46Å |
| 29 | L | 82.6 | Confident | 88.5 | Confident | 120 Ų | 120 | 89.3 Ų | 89.3 | 63% | 0.628 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 178.4 | -164.4 | 73.6 | 0 | 0 | 0 | 111.4 | H25 V27 E31 G32 V33 | H25-L29 WeakPolarHBondContact O-CB 3.43Å; H25-L29 PolarHBondContact O-N 3.43Å; V27-L29 VanDerWaalsContact C-N 3.31Å; V27-L29 PolarHBondContact O-N 3.26Å; L29-E31 VanDerWaalsContact C-N 3.34Å; L29-E31 PolarHBondContact O-N 2.79Å; L29-G32 PolarHBondContact O-N 2.82Å; L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.34Å; L29-V33 PolarHBondContact O-N 3.05Å |
| 30 | S | 80.3 | Confident | 88.5 | Confident | 53 Ų | 53 | 90 Ų | 90 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 179.4 | 79.9 | 0 | 0 | 0 | 0 | 112.4 | Y26 V27 E28 K34 | Y26-S30 WeakPolarHBondContact O-CB 3.43Å; Y26-S30 PolarHBondContact O-N 3.45Å; Y26-S30 PolarHBondContact O-OG 2.99Å; V27-S30 PolarHBondContact O-N 3.39Å; V27-S30 VanDerWaalsContact O-N 3.09Å; V27-S30 PolarHBondContact O-OG 3.25Å; E28-S30 PolarHBondContact O-N 3.38Å; S30-K34 WeakPolarHBondContact O-CG 3.36Å; S30-K34 PolarHBondContact O-N 3.08Å |
| 31 | E | 87.8 | Confident | 88.6 | Confident | 112 Ų | 112 | 91.8 Ų | 91.8 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74 | -38.8 | 176.1 | -69.6 | -175 | 172.3 | 0 | 0 | 111.7 | V27 E28 L29 V33 K34 T35 | V27-E31 HydrophobicContact CG1-CG 4.4Å; V27-E31 WeakPolarHBondContact O-CG 3.38Å; V27-E31 PolarHBondContact O-N 3Å; E28-E31 PolarHBondContact O-N 3.25Å; L29-E31 VanDerWaalsContact C-N 3.34Å; L29-E31 PolarHBondContact O-N 2.79Å; E31-V33 VanDerWaalsContact C-N 3.34Å; E31-V33 PolarHBondContact O-N 2.91Å; E31-K34 PolarHBondContact O-N 3.01Å; E31-T35 WeakPolarHBondContact O-CB 3.36Å; E31-T35 PolarHBondContact O-N 3.28Å; E31-T35 PolarHBondContact O-OG1 3.03Å |
| 32 | G | 85.6 | Confident | 88.9 | Confident | 40 Ų | 40 | 92.7 Ų | 92.7 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E28 L29 T35 A36 | E28-G32 PolarHBondContact O-N 3.46Å; L29-G32 PolarHBondContact O-N 2.82Å; G32-T35 PolarHBondContact O-N 3.12Å; G32-A36 WeakPolarHBondContact O-CB 3.27Å; G32-A36 PolarHBondContact O-N 3.31Å |
| 33 | V | 89.8 | Confident | 89 | Confident | 90 Ų | 90 | 97 Ų | 97 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | L29 E31 T35 A36 E37 | L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.34Å; L29-V33 PolarHBondContact O-N 3.05Å; E31-V33 VanDerWaalsContact C-N 3.34Å; E31-V33 PolarHBondContact O-N 2.91Å; V33-T35 VanDerWaalsContact C-N 3.31Å; V33-T35 PolarHBondContact O-N 2.74Å; V33-A36 PolarHBondContact O-N 2.91Å; V33-E37 WeakPolarHBondContact O-CB 3.41Å; V33-E37 PolarHBondContact O-N 3.36Å |
| 34 | K | 90.6 | Very high | 89.6 | Confident | 138 Ų | 138 | 99.8 Ų | 99.8 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.4 | -41.7 | 177.4 | -71.9 | 169.7 | -175.2 | 169.5 | 0 | 111.9 | S30 E31 E37 L38 | S30-K34 WeakPolarHBondContact O-CG 3.36Å; S30-K34 PolarHBondContact O-N 3.08Å; E31-K34 PolarHBondContact O-N 3.01Å; K34-E37 PolarHBondContact O-N 3.24Å; K34-L38 WeakPolarHBondContact O-CB 3.48Å; K34-L38 PolarHBondContact O-N 2.88Å |
| 35 | T | 93.4 | Very high | 90 | Very high | 93 Ų | 93 | 100.4 Ų | 100.4 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -44.5 | 178.3 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | E31 G32 V33 E37 L38 A39 | E31-T35 WeakPolarHBondContact O-CB 3.36Å; E31-T35 PolarHBondContact O-N 3.28Å; E31-T35 PolarHBondContact O-OG1 3.03Å; G32-T35 PolarHBondContact O-N 3.12Å; V33-T35 VanDerWaalsContact C-N 3.31Å; V33-T35 PolarHBondContact O-N 2.74Å; T35-E37 VanDerWaalsContact C-N 3.34Å; T35-E37 PolarHBondContact O-N 2.94Å; T35-L38 PolarHBondContact O-N 3.31Å; T35-A39 WeakPolarHBondContact O-CB 3.35Å; T35-A39 PolarHBondContact O-N 3.03Å |
| 36 | A | 92.3 | Very high | 90.5 | Very high | 59 Ų | 59 | 100.1 Ų | 100.1 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G32 V33 A39 L40 | G32-A36 WeakPolarHBondContact O-CB 3.27Å; G32-A36 PolarHBondContact O-N 3.31Å; V33-A36 PolarHBondContact O-N 2.91Å; A36-A39 PolarHBondContact O-N 2.96Å; A36-L40 WeakPolarHBondContact O-CB 3.31Å; A36-L40 PolarHBondContact O-N 3.38Å |
| 37 | E | 93.1 | Very high | 91 | Very high | 104 Ų | 104 | 94.9 Ų | 94.9 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 175.6 | -169.1 | -169.3 | 145.5 | 0 | 0 | 111.4 | V33 K34 T35 L40 R41 | V33-E37 WeakPolarHBondContact O-CB 3.41Å; V33-E37 PolarHBondContact O-N 3.36Å; K34-E37 PolarHBondContact O-N 3.24Å; T35-E37 VanDerWaalsContact C-N 3.34Å; T35-E37 PolarHBondContact O-N 2.94Å; E37-L40 PolarHBondContact O-N 2.99Å; E37-R41 PolarHBondContact O-N 3.39Å; E37-R41 IonicContact OE1-CZ 3.88Å; E37-R41 IonicContact OE1-NH2 2.75Å; E37-R41 PolarHBondContact OE1-NH2 2.97Å |
| 38 | L | 96.7 | Very high | 91.9 | Very high | 94 Ų | 94 | 99 Ų | 99 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 177 | -177.8 | 63.7 | 0 | 0 | 0 | 111.4 | K34 T35 L40 R41 I42 | K34-L38 WeakPolarHBondContact O-CB 3.48Å; K34-L38 PolarHBondContact O-N 2.88Å; T35-L38 PolarHBondContact O-N 3.31Å; L38-L40 VanDerWaalsContact C-N 3.26Å; L38-L40 PolarHBondContact O-N 3.42Å; L38-R41 WeakPolarHBondContact O-CB 3.42Å; L38-R41 PolarHBondContact O-N 3.12Å; L38-R41 VanDerWaalsContact O-N 3.13Å; L38-I42 HydrophobicContact CD1-CD1 4.39Å; L38-I42 HydrophobicContact CG-CD1 4.07Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 3.43Å |
| 39 | A | 95.1 | Very high | 92.9 | Very high | 43 Ų | 43 | 98 Ų | 98 | 36% | 0.355 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -33.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T35 A36 R43 | T35-A39 WeakPolarHBondContact O-CB 3.35Å; T35-A39 PolarHBondContact O-N 3.03Å; A36-A39 PolarHBondContact O-N 2.96Å; A39-R43 WeakPolarHBondContact O-CG 3.42Å; A39-R43 PolarHBondContact O-N 3.1Å; A39-R43 PolarHBondContact O-NE 2.97Å |
| 40 | L | 95.8 | Very high | 93.5 | Very high | 84 Ų | 84 | 98.9 Ų | 98.9 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 173.1 | -178.3 | 62.2 | 0 | 0 | 0 | 111.3 | A36 E37 L38 R43 Q44 | A36-L40 WeakPolarHBondContact O-CB 3.31Å; A36-L40 PolarHBondContact O-N 3.38Å; E37-L40 PolarHBondContact O-N 2.99Å; L38-L40 VanDerWaalsContact C-N 3.26Å; L38-L40 PolarHBondContact O-N 3.42Å; L40-R43 PolarHBondContact O-N 3.02Å; L40-Q44 WeakPolarHBondContact O-CG 3.48Å; L40-Q44 PolarHBondContact O-N 3.11Å; L40-Q44 VanDerWaalsContact O-N 3.07Å |
| 41 | R | 96.2 | Very high | 94.2 | Very high | 131 Ų | 131 | 105.5 Ų | 105.5 | 49% | 0.494 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 178.2 | -173 | 179.7 | -65.8 | 134 | 6.3 | 111.6 | E37 L38 R43 Q44 E45 | E37-R41 PolarHBondContact O-N 3.39Å; E37-R41 IonicContact OE1-CZ 3.88Å; E37-R41 IonicContact OE1-NH2 2.75Å; E37-R41 PolarHBondContact OE1-NH2 2.97Å; L38-R41 WeakPolarHBondContact O-CB 3.42Å; L38-R41 PolarHBondContact O-N 3.12Å; L38-R41 VanDerWaalsContact O-N 3.13Å; R41-R43 PolarHBondContact O-N 2.93Å; R41-Q44 PolarHBondContact O-N 3.27Å; R41-E45 PolarHBondContact O-N 2.95Å |
| 42 | I | 97 | Very high | 94.6 | Very high | 75 Ų | 75 | 107.2 Ų | 107.2 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.4 | -49.6 | 177.4 | -67.8 | 167.1 | 0 | 0 | 0 | 110.5 | L38 Q44 E45 E46 | L38-I42 HydrophobicContact CD1-CD1 4.39Å; L38-I42 HydrophobicContact CG-CD1 4.07Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 3.43Å; I42-Q44 VanDerWaalsContact C-N 3.28Å; I42-Q44 PolarHBondContact O-N 3.2Å; I42-E45 WeakPolarHBondContact O-CB 3.37Å; I42-E45 PolarHBondContact O-N 3.49Å; I42-E45 VanDerWaalsContact O-N 3.1Å; I42-E46 HydrophobicContact CG2-CG 4.22Å; I42-E46 WeakPolarHBondContact O-CG 3.5Å; I42-E46 PolarHBondContact O-N 3.41Å |
| 43 | R | 95.5 | Very high | 95.1 | Very high | 153 Ų | 153 | 110.3 Ų | 110.3 | 58% | 0.577 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.4 | -36.3 | 179.4 | -75.8 | -175.2 | -69.6 | 176.2 | -2.3 | 113.2 | A39 L40 R41 A47 | A39-R43 WeakPolarHBondContact O-CG 3.42Å; A39-R43 PolarHBondContact O-N 3.1Å; A39-R43 PolarHBondContact O-NE 2.97Å; L40-R43 PolarHBondContact O-N 3.02Å; R41-R43 PolarHBondContact O-N 2.93Å; R43-A47 WeakPolarHBondContact O-CB 3.33Å; R43-A47 PolarHBondContact O-N 3.5Å |
| 44 | Q | 96.7 | Very high | 95.3 | Very high | 121 Ų | 121 | 112.2 Ų | 112.2 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.8 | -40.3 | 176.2 | -71.3 | 175.4 | -1.2 | 0 | 0 | 111.8 | L40 R41 I42 A47 K48 | L40-Q44 WeakPolarHBondContact O-CG 3.48Å; L40-Q44 PolarHBondContact O-N 3.11Å; L40-Q44 VanDerWaalsContact O-N 3.07Å; R41-Q44 PolarHBondContact O-N 3.27Å; I42-Q44 VanDerWaalsContact C-N 3.28Å; I42-Q44 PolarHBondContact O-N 3.2Å; Q44-A47 PolarHBondContact O-N 3.02Å; Q44-K48 WeakPolarHBondContact O-CB 3.34Å; Q44-K48 PolarHBondContact O-N 3.32Å |
| 45 | E | 96.3 | Very high | 95.5 | Very high | 134 Ų | 134 | 111 Ų | 111 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -46.6 | 176.5 | -175.5 | 167.4 | -154.2 | 0 | 0 | 111.6 | R41 I42 A47 K48 E49 | R41-E45 PolarHBondContact O-N 2.95Å; I42-E45 WeakPolarHBondContact O-CB 3.37Å; I42-E45 PolarHBondContact O-N 3.49Å; I42-E45 VanDerWaalsContact O-N 3.1Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 3.49Å; E45-K48 WeakPolarHBondContact O-CB 3.44Å; E45-K48 PolarHBondContact O-N 3.49Å; E45-K48 VanDerWaalsContact O-N 3.13Å; E45-E49 PolarHBondContact O-N 3.01Å |
| 46 | E | 96.4 | Very high | 95.6 | Very high | 110 Ų | 110 | 110.6 Ų | 110.6 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 174.2 | -72.8 | 175.1 | 167.4 | 0 | 0 | 111.7 | I42 K48 E49 Q50 | I42-E46 HydrophobicContact CG2-CG 4.22Å; I42-E46 WeakPolarHBondContact O-CG 3.5Å; I42-E46 PolarHBondContact O-N 3.41Å; E46-K48 VanDerWaalsContact C-N 3.29Å; E46-K48 PolarHBondContact O-N 3.11Å; E46-E49 PolarHBondContact O-N 3.35Å; E46-Q50 WeakPolarHBondContact O-CB 3.38Å; E46-Q50 VanDerWaalsContact O-CG 3.31Å; E46-Q50 WeakPolarHBondContact O-CG 3.37Å; E46-Q50 PolarHBondContact O-N 3.02Å |
| 47 | A | 96 | Very high | 95.7 | Very high | 55 Ų | 55 | 114.2 Ų | 114.2 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R43 Q44 E45 R51 | R43-A47 WeakPolarHBondContact O-CB 3.33Å; R43-A47 PolarHBondContact O-N 3.5Å; Q44-A47 PolarHBondContact O-N 3.02Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 3.49Å; A47-R51 PolarHBondContact O-N 3.09Å |
| 48 | K | 97.5 | Very high | 95.8 | Very high | 162 Ų | 162 | 113.6 Ų | 113.6 | 70% | 0.704 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.6 | -45.4 | 175 | -177.6 | -173.8 | 174.6 | -170.5 | 0 | 111 | Q44 E45 E46 R51 R52 | Q44-K48 WeakPolarHBondContact O-CB 3.34Å; Q44-K48 PolarHBondContact O-N 3.32Å; E45-K48 WeakPolarHBondContact O-CB 3.44Å; E45-K48 PolarHBondContact O-N 3.49Å; E45-K48 VanDerWaalsContact O-N 3.13Å; E46-K48 VanDerWaalsContact C-N 3.29Å; E46-K48 PolarHBondContact O-N 3.11Å; K48-R51 WeakPolarHBondContact O-CB 3.38Å; K48-R51 PolarHBondContact O-N 3.12Å; K48-R52 PolarHBondContact O-N 3.27Å; K48-R52 VanDerWaalsContact O-N 3.11Å |
| 49 | E | 96.1 | Very high | 95.6 | Very high | 87 Ų | 87 | 113.9 Ų | 113.9 | 41% | 0.407 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.2 | -41 | -179.3 | -173.2 | 53.6 | -145.9 | 0 | 0 | 111.6 | E45 E46 R51 R52 L53 | E45-E49 PolarHBondContact O-N 3.01Å; E46-E49 PolarHBondContact O-N 3.35Å; E49-R51 VanDerWaalsContact C-N 3.26Å; E49-R51 PolarHBondContact O-N 3Å; E49-R52 WeakPolarHBondContact O-CB 3.33Å; E49-R52 PolarHBondContact O-N 3.4Å; E49-L53 WeakPolarHBondContact O-CB 3.43Å; E49-L53 PolarHBondContact O-N 2.95Å |
| 50 | Q | 95.5 | Very high | 95.6 | Very high | 139 Ų | 139 | 117.6 Ų | 117.6 | 65% | 0.65 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -56.6 | -41 | 172.9 | -78.8 | -175.8 | -3.9 | 0 | 0 | 112.1 | E46 L53 M54 | E46-Q50 WeakPolarHBondContact O-CB 3.38Å; E46-Q50 VanDerWaalsContact O-CG 3.31Å; E46-Q50 WeakPolarHBondContact O-CG 3.37Å; E46-Q50 PolarHBondContact O-N 3.02Å; Q50-L53 PolarHBondContact O-N 3.18Å; Q50-M54 WeakPolarHBondContact O-CB 3.39Å; Q50-M54 PolarHBondContact O-N 3.19Å |
| 51 | R | 94.7 | Very high | 95.5 | Very high | 191 Ų | 191 | 117.3 Ų | 117.3 | 72% | 0.721 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 175.5 | -176.6 | -176.4 | -63.1 | 172.7 | 1.6 | 111.5 | A47 K48 E49 M54 Q55 | A47-R51 PolarHBondContact O-N 3.09Å; K48-R51 WeakPolarHBondContact O-CB 3.38Å; K48-R51 PolarHBondContact O-N 3.12Å; E49-R51 VanDerWaalsContact C-N 3.26Å; E49-R51 PolarHBondContact O-N 3Å; R51-M54 PolarHBondContact O-N 3.43Å; R51-Q55 PolarHBondContact O-N 3.48Å |
| 52 | R | 95.6 | Very high | 95.2 | Very high | 149 Ų | 149 | 113.4 Ų | 113.4 | 56% | 0.562 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.8 | -46.1 | 177.6 | -175.2 | -170.5 | 178.7 | 172.1 | -0.2 | 111 | K48 E49 M54 Q55 M56 | K48-R52 PolarHBondContact O-N 3.27Å; K48-R52 VanDerWaalsContact O-N 3.11Å; E49-R52 WeakPolarHBondContact O-CB 3.33Å; E49-R52 PolarHBondContact O-N 3.4Å; R52-M54 VanDerWaalsContact C-N 3.33Å; R52-M54 PolarHBondContact O-N 2.9Å; R52-Q55 PolarHBondContact O-N 3.39Å; R52-M56 PolarHBondContact O-N 3.4Å |
| 53 | L | 96.3 | Very high | 95 | Very high | 104 Ų | 104 | 115.2 Ų | 115.2 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 179.2 | -171.3 | 64.9 | 0 | 0 | 0 | 111.6 | E49 Q50 Q55 M56 K57 | E49-L53 WeakPolarHBondContact O-CB 3.43Å; E49-L53 PolarHBondContact O-N 2.95Å; Q50-L53 PolarHBondContact O-N 3.18Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 3.29Å; L53-M56 HydrophobicContact CD1-CE 3.95Å; L53-M56 PolarHBondContact O-N 3.32Å; L53-K57 WeakPolarHBondContact O-CB 3.39Å; L53-K57 PolarHBondContact O-N 3.45Å |
| 54 | M | 95.6 | Very high | 94.9 | Very high | 131 Ų | 131 | 114.7 Ų | 114.7 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 175.6 | -165.7 | -180 | 90.8 | 0 | 0 | 111.6 | Q50 R51 R52 K57 V58 | Q50-M54 WeakPolarHBondContact O-CB 3.39Å; Q50-M54 PolarHBondContact O-N 3.19Å; R51-M54 PolarHBondContact O-N 3.43Å; R52-M54 VanDerWaalsContact C-N 3.33Å; R52-M54 PolarHBondContact O-N 2.9Å; M54-K57 PolarHBondContact O-N 3.43Å; M54-V58 WeakPolarHBondContact O-CG2 3.45Å; M54-V58 PolarHBondContact O-N 2.83Å |
| 55 | Q | 94.7 | Very high | 94.5 | Very high | 112 Ų | 112 | 111.9 Ų | 111.9 | 52% | 0.523 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 176.4 | -177.6 | 177.8 | -7.7 | 0 | 0 | 111.7 | R51 R52 L53 K57 V58 E59 | R51-Q55 PolarHBondContact O-N 3.48Å; R52-Q55 PolarHBondContact O-N 3.39Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 3.29Å; Q55-K57 PolarHBondContact O-N 2.91Å; Q55-V58 PolarHBondContact O-N 2.76Å; Q55-V58 VanDerWaalsContact O-N 3.12Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.32Å; Q55-E59 PolarHBondContact NE2-OE1 3Å; Q55-E59 WeakPolarHBondContact O-CG 3.46Å; Q55-E59 PolarHBondContact O-N 2.94Å |
| 56 | M | 94.2 | Very high | 94.1 | Very high | 84 Ų | 84 | 110.5 Ų | 110.5 | 41% | 0.414 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 176.7 | -71.2 | -167.1 | -55.7 | 0 | 0 | 111.8 | R52 L53 E59 H60 | R52-M56 PolarHBondContact O-N 3.4Å; L53-M56 HydrophobicContact CD1-CE 3.95Å; L53-M56 PolarHBondContact O-N 3.32Å; M56-E59 PolarHBondContact O-N 2.77Å; M56-H60 WeakPolarHBondContact O-CB 3.45Å; M56-H60 PolarHBondContact O-N 3.21Å |
| 57 | K | 95.5 | Very high | 93.7 | Very high | 135 Ų | 135 | 109 Ų | 109 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | 175.3 | -175.6 | -179 | 177 | -175.7 | 0 | 111.8 | L53 M54 Q55 E59 H60 D61 | L53-K57 WeakPolarHBondContact O-CB 3.39Å; L53-K57 PolarHBondContact O-N 3.45Å; M54-K57 PolarHBondContact O-N 3.43Å; Q55-K57 PolarHBondContact O-N 2.91Å; K57-E59 VanDerWaalsContact C-N 3.33Å; K57-E59 PolarHBondContact O-N 2.75Å; K57-H60 PolarHBondContact O-N 3.29Å; K57-D61 WeakPolarHBondContact O-CB 3.41Å; K57-D61 VanDerWaalsContact O-CG 3.3Å; K57-D61 PolarHBondContact O-N 3.07Å |
| 58 | V | 94.6 | Very high | 93.2 | Very high | 91 Ų | 91 | 109 Ų | 109 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 111 | M54 Q55 D61 A62 | M54-V58 WeakPolarHBondContact O-CG2 3.45Å; M54-V58 PolarHBondContact O-N 2.83Å; Q55-V58 PolarHBondContact O-N 2.76Å; Q55-V58 VanDerWaalsContact O-N 3.12Å; V58-D61 PolarHBondContact O-N 2.86Å; V58-A62 WeakPolarHBondContact O-CB 3.39Å; V58-A62 PolarHBondContact O-N 3.41Å |
| 59 | E | 92.6 | Very high | 92.4 | Very high | 100 Ų | 100 | 103.3 Ų | 103.3 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.5 | -70 | 170.1 | -169.2 | 0 | 0 | 111.4 | Q55 M56 K57 A62 L63 | Q55-E59 WeakPolarHBondContact CG-OE1 3.32Å; Q55-E59 PolarHBondContact NE2-OE1 3Å; Q55-E59 WeakPolarHBondContact O-CG 3.46Å; Q55-E59 PolarHBondContact O-N 2.94Å; M56-E59 PolarHBondContact O-N 2.77Å; K57-E59 VanDerWaalsContact C-N 3.33Å; K57-E59 PolarHBondContact O-N 2.75Å; E59-A62 PolarHBondContact O-N 3.45Å; E59-L63 WeakPolarHBondContact O-CG 3.42Å; E59-L63 PolarHBondContact O-N 3.28Å |
| 60 | H | 94.8 | Very high | 91.4 | Very high | 121 Ų | 121 | 104 Ų | 104 | 56% | 0.56 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 176.4 | -177.9 | -84 | 0 | 0 | 0 | 112.5 | M56 K57 A62 L63 K64 | M56-H60 WeakPolarHBondContact O-CB 3.45Å; M56-H60 PolarHBondContact O-N 3.21Å; K57-H60 PolarHBondContact O-N 3.29Å; H60-A62 VanDerWaalsContact C-N 3.32Å; H60-A62 PolarHBondContact O-N 3.35Å; H60-L63 PolarHBondContact O-N 2.93Å; H60-K64 WeakPolarHBondContact O-CB 3.42Å; H60-K64 PolarHBondContact O-N 3.2Å |
| 61 | D | 92.9 | Very high | 90.3 | Very high | 78 Ų | 78 | 103.8 Ų | 103.8 | 42% | 0.417 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 178.1 | -72.3 | -19.3 | 0 | 0 | 0 | 111.4 | K57 V58 K64 A65 | K57-D61 WeakPolarHBondContact O-CB 3.41Å; K57-D61 VanDerWaalsContact O-CG 3.3Å; K57-D61 PolarHBondContact O-N 3.07Å; V58-D61 PolarHBondContact O-N 2.86Å; D61-K64 PolarHBondContact O-N 3.27Å; D61-A65 PolarHBondContact O-N 2.99Å |
| 62 | A | 91.6 | Very high | 88.9 | Confident | 50 Ų | 50 | 101 Ų | 101 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V58 E59 H60 K64 A65 D66 | V58-A62 WeakPolarHBondContact O-CB 3.39Å; V58-A62 PolarHBondContact O-N 3.41Å; E59-A62 PolarHBondContact O-N 3.45Å; H60-A62 VanDerWaalsContact C-N 3.32Å; H60-A62 PolarHBondContact O-N 3.35Å; A62-K64 VanDerWaalsContact C-N 3.28Å; A62-K64 PolarHBondContact O-N 3.13Å; A62-A65 WeakPolarHBondContact O-CB 3.31Å; A62-A65 PolarHBondContact O-N 2.95Å; A62-A65 VanDerWaalsContact O-N 3.12Å; A62-D66 PolarHBondContact O-N 3.34Å |
| 63 | L | 91.9 | Very high | 87.2 | Confident | 112 Ų | 112 | 103.9 Ų | 103.9 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.8 | -40 | 175.8 | -70.8 | 173.4 | 0 | 0 | 0 | 111.8 | E59 H60 A65 D66 V67 | E59-L63 WeakPolarHBondContact O-CG 3.42Å; E59-L63 PolarHBondContact O-N 3.28Å; H60-L63 PolarHBondContact O-N 2.93Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-A65 PolarHBondContact O-N 3.25Å; L63-D66 PolarHBondContact O-N 2.96Å; L63-V67 VanDerWaalsContact O-CG2 3.31Å; L63-V67 WeakPolarHBondContact O-CG2 3.5Å; L63-V67 PolarHBondContact O-N 3.48Å |
| 64 | K | 92.8 | Very high | 85.5 | Confident | 142 Ų | 142 | 105 Ų | 105 | 62% | 0.617 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.9 | -40.4 | 175.9 | -173.2 | 179.4 | 178.6 | -178.5 | 0 | 111.9 | H60 D61 A62 V67 A68 | H60-K64 WeakPolarHBondContact O-CB 3.42Å; H60-K64 PolarHBondContact O-N 3.2Å; D61-K64 PolarHBondContact O-N 3.27Å; A62-K64 VanDerWaalsContact C-N 3.28Å; A62-K64 PolarHBondContact O-N 3.13Å; K64-V67 PolarHBondContact O-N 2.92Å; K64-A68 PolarHBondContact O-N 3.35Å |
| 65 | A | 89.9 | Confident | 83.4 | Confident | 62 Ų | 62 | 105.5 Ų | 105.5 | 51% | 0.512 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D61 A62 L63 A68 G69 | D61-A65 PolarHBondContact O-N 2.99Å; A62-A65 WeakPolarHBondContact O-CB 3.31Å; A62-A65 PolarHBondContact O-N 2.95Å; A62-A65 VanDerWaalsContact O-N 3.12Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-A65 PolarHBondContact O-N 3.25Å; A65-A68 PolarHBondContact O-N 2.95Å; A65-G69 PolarHBondContact O-N 3.03Å |
| 66 | D | 87.5 | Confident | 81.7 | Confident | 106 Ų | 106 | 105.3 Ų | 105.3 | 57% | 0.567 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63 | -43.6 | 176.5 | -70.4 | -19.6 | 0 | 0 | 0 | 111.7 | A62 L63 G69 L70 | A62-D66 PolarHBondContact O-N 3.34Å; L63-D66 PolarHBondContact O-N 2.96Å; D66-G69 PolarHBondContact O-N 3.22Å; D66-L70 WeakPolarHBondContact O-CG 3.36Å; D66-L70 PolarHBondContact O-N 3.11Å |
| 67 | V | 86.9 | Confident | 79.8 | Confident | 78 Ų | 78 | 107 Ų | 107 | 47% | 0.473 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.9 | -48.2 | 175.1 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L63 K64 G69 L70 E71 | L63-V67 VanDerWaalsContact O-CG2 3.31Å; L63-V67 WeakPolarHBondContact O-CG2 3.5Å; L63-V67 PolarHBondContact O-N 3.48Å; K64-V67 PolarHBondContact O-N 2.92Å; V67-G69 VanDerWaalsContact C-N 3.27Å; V67-G69 PolarHBondContact O-N 3.17Å; V67-L70 PolarHBondContact O-N 3.3Å; V67-L70 VanDerWaalsContact O-N 3.08Å; V67-E71 PolarHBondContact O-N 3.01Å |
| 68 | A | 85.6 | Confident | 78.1 | Confident | 54 Ų | 54 | 107.3 Ų | 107.3 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.3 | -37.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K64 A65 E71 L72 | K64-A68 PolarHBondContact O-N 3.35Å; A65-A68 PolarHBondContact O-N 2.95Å; A68-E71 PolarHBondContact O-N 3.39Å; A68-L72 PolarHBondContact O-N 3.28Å; A68-L72 VanDerWaalsContact O-N 3.14Å |
| 69 | G | 80.3 | Confident | 76.5 | Confident | 43 Ų | 43 | 110.7 Ų | 110.7 | 44% | 0.443 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65 | -35.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A65 D66 V67 R73 | A65-G69 PolarHBondContact O-N 3.03Å; D66-G69 PolarHBondContact O-N 3.22Å; V67-G69 VanDerWaalsContact C-N 3.27Å; V67-G69 PolarHBondContact O-N 3.17Å; G69-R73 PolarHBondContact O-N 3.41Å |
| 70 | L | 75.8 | Confident | 75 | Confident | 103 Ų | 103 | 111 Ų | 111 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.6 | -36.6 | 175.9 | -70.9 | 172.7 | 0 | 0 | 0 | 112.7 | D66 V67 R73 N74 | D66-L70 WeakPolarHBondContact O-CG 3.36Å; D66-L70 PolarHBondContact O-N 3.11Å; V67-L70 PolarHBondContact O-N 3.3Å; V67-L70 VanDerWaalsContact O-N 3.08Å; L70-R73 PolarHBondContact O-N 3.5Å; L70-N74 PolarHBondContact O-N 2.83Å; L70-N74 PolarHBondContact O-ND2 3.13Å |
| 71 | E | 72.9 | Confident | 73.3 | Confident | 134 Ų | 134 | 111.4 Ų | 111.4 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.1 | -40.3 | 174.7 | -72.4 | -176.1 | 163.8 | 0 | 0 | 111.8 | V67 A68 R73 N74 | V67-E71 PolarHBondContact O-N 3.01Å; A68-E71 PolarHBondContact O-N 3.39Å; E71-R73 VanDerWaalsContact C-N 3.28Å; E71-R73 PolarHBondContact O-N 3.04Å; E71-N74 PolarHBondContact O-N 2.84Å |
| 72 | L | 64.6 | Low | 71.9 | Confident | 132 Ų | 132 | 114.5 Ų | 114.5 | 69% | 0.691 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65 | -32.2 | 176.8 | -166.6 | 68.2 | 0 | 0 | 0 | 112.5 | A68 N74 | A68-L72 PolarHBondContact O-N 3.28Å; A68-L72 VanDerWaalsContact O-N 3.14Å; L72-N74 VanDerWaalsContact C-N 3.34Å |
| 73 | R | 61.2 | Low | 70.6 | Confident | 210 Ų | 210 | 117.1 Ų | 117.1 | 79% | 0.792 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -75.1 | -21.9 | 176.8 | -174.3 | 176.9 | 168.7 | -175.5 | -3.4 | 113.2 | G69 L70 E71 | G69-R73 PolarHBondContact O-N 3.41Å; L70-R73 PolarHBondContact O-N 3.5Å; E71-R73 VanDerWaalsContact C-N 3.28Å; E71-R73 PolarHBondContact O-N 3.04Å |
| 74 | N | 59.5 | Low | 69.2 | Low | 128 Ų | 128 | 117.9 Ų | 117.9 | 68% | 0.684 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 11.5 | -178.4 | -76.7 | -43 | 0 | 0 | 0 | 113.9 | L70 E71 L72 P76 | L70-N74 PolarHBondContact O-N 2.83Å; L70-N74 PolarHBondContact O-ND2 3.13Å; E71-N74 PolarHBondContact O-N 2.84Å; L72-N74 VanDerWaalsContact C-N 3.34Å; N74-P76 VanDerWaalsContact O-CD 3.31Å; N74-P76 WeakPolarHBondContact O-CD 3.49Å |
| 75 | Q | 52.6 | Low | 67.6 | Low | 141 Ų | 141 | 118.5 Ų | 118.5 | 66% | 0.659 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -65 | 120.9 | 170.7 | -83.4 | -161.3 | -12.9 | 0 | 0 | 110.4 | ||
| 76 | P | 58.6 | Low | 66.2 | Low | 108 Ų | 108 | 120.6 Ų | 120.6 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 146.1 | 170.9 | 26.5 | -31.4 | 0 | 0 | 0 | 109.3 | N74 V78 | N74-P76 VanDerWaalsContact O-CD 3.31Å; N74-P76 WeakPolarHBondContact O-CD 3.49Å; P76-V78 PolarHBondContact O-N 3.1Å |
| 77 | P | 54.1 | Low | 64.6 | Low | 120 Ų | 120 | 121.6 Ų | 121.6 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 129.7 | 179.2 | 23.2 | -31.4 | 0 | 0 | 0 | 110 | Q79 | P77-Q79 PolarHBondContact O-N 3.46Š|
| 78 | V | 59.6 | Low | 62.7 | Low | 140 Ų | 140 | 123.8 Ų | 123.8 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | trans | -54.3 | 110.3 | 177.6 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | P76 | P76-V78 PolarHBondContact O-N 3.1Š| ||
| 79 | Q | 61 | Low | 60.9 | Low | 163 Ų | 163 | 129 Ų | 129 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 142.6 | 173 | -72.2 | -172.6 | 4.8 | 0 | 0 | 109.7 | P77 | P77-Q79 PolarHBondContact O-N 3.46Š|
| 80 | P | 60.1 | Low | 59.9 | Low | 106 Ų | 106 | 132 Ų | 132 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 152.5 | -179.2 | 24.6 | -32.2 | 0 | 0 | 0 | 111.8 | I82 | P80-I82 PolarHBondContact O-N 3.21Š|
| 81 | P | 60.8 | Low | 58.6 | Low | 130 Ų | 130 | 136.4 Ų | 136.4 | 84% | 0.844 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 118.6 | -170.5 | 23.5 | -27.2 | 0 | 0 | 0 | 110.8 | ||
| 82 | I | 63.5 | Low | 57.1 | Low | 143 Ų | 143 | 135.9 Ų | 135.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 135.1 | 172 | -58.5 | 169.6 | 0 | 0 | 0 | 107.6 | P80 | P80-I82 PolarHBondContact O-N 3.21Š|
| 83 | P | 64.7 | Low | 56.4 | Low | 105 Ų | 105 | 134.5 Ų | 134.5 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 150.9 | -179 | 25.8 | -33.4 | 0 | 0 | 0 | 112 | ||
| 84 | P | 62.1 | Low | 55.7 | Low | 128 Ų | 128 | 129.7 Ų | 129.7 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 128.7 | -175.3 | 30.9 | -32 | 0 | 0 | 0 | 111.2 | ||
| 85 | D | 59.2 | Low | 55.1 | Low | 155 Ų | 155 | 129.3 Ų | 129.3 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 148.8 | 166.4 | -86 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 86 | P | 59.8 | Low | 55 | Low | 106 Ų | 106 | 130 Ų | 130 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 159 | -176 | 29.3 | -34.8 | 0 | 0 | 0 | 113.4 | S88 | P86-S88 PolarHBondContact O-N 3.03Š|
| 87 | P | 54.9 | Low | 54.7 | Low | 127 Ų | 127 | 132.5 Ų | 132.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130.5 | -166.6 | 31.6 | -33.1 | 0 | 0 | 0 | 111 | ||
| 88 | S | 47 | Very low | 54.6 | Low | 123 Ų | 123 | 133.3 Ų | 133.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -107.6 | 128.4 | 161 | -69 | 0 | 0 | 0 | 0 | 109.4 | P86 | P86-S88 PolarHBondContact O-N 3.03Š| ||
| 89 | D | 47.6 | Very low | 54.6 | Low | 163 Ų | 163 | 135.7 Ų | 135.7 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -71.9 | 174.3 | -172.7 | -103.7 | -23 | 0 | 0 | 0 | 114.2 | ||||
| 90 | P | 58.1 | Low | 54.7 | Low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -103.5 | 173.2 | -131.2 | 39.9 | -38.8 | 0 | 0 | 0 | 116.3 | ||||
| 91 | K | 47.8 | Very low | 54.6 | Low | 195 Ų | 195 | 132.1 Ų | 132.1 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | 94.8 | 113.9 | 163.5 | -70.2 | 176.9 | 172 | 174 | 0 | 116.8 | ||||
| 92 | S | 42.7 | Very low | 54.8 | Low | 123 Ų | 123 | 131.5 Ų | 131.5 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | -155.9 | 140.6 | 103.3 | -80.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 93 | A | 48.8 | Very low | 54.4 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -59.4 | 142.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 94 | S | 47.4 | Very low | 54.4 | Low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -160.8 | 92 | 156.7 | 169.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 95 | V | 46.4 | Very low | 54.2 | Low | 119 Ų | 119 | 132.3 Ų | 132.3 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | 50.1 | 102.8 | 145.2 | -169.2 | 0 | 0 | 0 | 0 | 117.1 | I97 | V95-I97 PolarHBondContact O-N 3.38Š| ||
| 96 | H | 50.8 | Low | 54.1 | Low | 156 Ų | 156 | 129.7 Ų | 129.7 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -46.9 | 101.7 | 152.5 | -172.2 | -86.3 | 0 | 0 | 0 | 110.5 | E98 | H96-E98 WeakPolarHBondContact CE1-CG 3.4Å; H96-E98 WeakPolarHBondContact ND1-CG 3.41Å; H96-E98 PolarHBondContact O-N 2.95Å | ||
| 97 | I | 52.2 | Low | 53.4 | Low | 161 Ų | 161 | 130 Ų | 130 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -81.6 | 100.9 | 162.6 | -71 | 168.8 | 0 | 0 | 0 | 105 | V95 E99 | V95-I97 PolarHBondContact O-N 3.38Å; I97-E99 PolarHBondContact O-N 3.46Å | ||
| 98 | E | 53 | Low | 53.1 | Low | 137 Ų | 137 | 128.9 Ų | 128.9 | 64% | 0.64 | 77% | 0.769 | S | S | * | * | trans | -53.1 | 122.7 | 170.7 | -102.4 | -161.1 | 156.9 | 0 | 0 | 109.8 | H96 S100 | H96-E98 WeakPolarHBondContact CE1-CG 3.4Å; H96-E98 WeakPolarHBondContact ND1-CG 3.41Å; H96-E98 PolarHBondContact O-N 2.95Å; E98-S100 PolarHBondContact O-N 3.44Å | ||
| 99 | E | 58.3 | Low | 53.4 | Low | 190 Ų | 190 | 128.6 Ų | 128.6 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -53.5 | 111.4 | 148.8 | -172.2 | 178.8 | 164.3 | 0 | 0 | 107.9 | I97 | I97-E99 PolarHBondContact O-N 3.46Š| ||
| 100 | S | 62.5 | Low | 53.9 | Low | 81 Ų | 81 | 126.5 Ų | 126.5 | 57% | 0.566 | 75% | 0.75 | S | S | * | * | trans | -141.4 | 124.9 | 162.8 | -81.1 | 0 | 0 | 0 | 0 | 107.8 | E98 | E98-S100 PolarHBondContact O-N 3.44Š| ||
| 101 | P | 59.9 | Low | 53.7 | Low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -68 | 133.7 | 173.2 | 24 | -23.3 | 0 | 0 | 0 | 108.1 | M103 | P101-M103 PolarHBondContact O-N 3.07Š| ||
| 102 | P | 63.4 | Low | 54 | Low | 118 Ų | 118 | 121.8 Ų | 121.8 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | -65.8 | 104.3 | 168.5 | 25.7 | -30.5 | 0 | 0 | 0 | 108.4 | S104 | P102-S104 PolarHBondContact O-N 2.84Š| ||
| 103 | M | 56.7 | Low | 54.5 | Low | 145 Ų | 145 | 123 Ų | 123 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | trans | -62 | 88.6 | 157 | -84.8 | -122.8 | 75.4 | 0 | 0 | 108 | P101 L105 | P101-M103 PolarHBondContact O-N 3.07Å; M103-L105 HydrophobicContact CE-CD1 3.82Å; M103-L105 HydrophobicContact CE-CD2 3.92Å; M103-L105 HydrophobicContact CE-CG 3.57Å; M103-L105 PolarHBondContact O-N 3.28Å; M103-L105 VanDerWaalsContact O-N 3.08Å; M103-L105 HydrophobicContact SD-CD1 4.08Å; M103-L105 HydrophobicContact SD-CG 4.37Å | ||
| 104 | S | 63.2 | Low | 55 | Low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -81.9 | 74.8 | 162.7 | -64.2 | 0 | 0 | 0 | 0 | 108.8 | P102 | P102-S104 PolarHBondContact O-N 2.84Š| ||
| 105 | L | 59.1 | Low | 55.3 | Low | 134 Ų | 134 | 127 Ų | 127 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | trans | -78.1 | 141 | 154.9 | -69.5 | 172.8 | 0 | 0 | 0 | 108.3 | M103 | M103-L105 HydrophobicContact CE-CD1 3.82Å; M103-L105 HydrophobicContact CE-CD2 3.92Å; M103-L105 HydrophobicContact CE-CG 3.57Å; M103-L105 PolarHBondContact O-N 3.28Å; M103-L105 VanDerWaalsContact O-N 3.08Å; M103-L105 HydrophobicContact SD-CD1 4.08Å; M103-L105 HydrophobicContact SD-CG 4.37Å | ||
| 106 | A | 55.5 | Low | 55.2 | Low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 77.1 | 94.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 107 | S | 46.5 | Very low | 54.6 | Low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -143.6 | 66.7 | 132.5 | -155.7 | 0 | 0 | 0 | 0 | 109.5 | T109 | S107-T109 PolarHBondContact O-N 2.83Š| ||
| 108 | S | 47.4 | Very low | 54.3 | Low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -78.4 | 97.1 | 159.5 | -177.1 | 0 | 0 | 0 | 0 | 106.7 | I110 | S108-I110 VanDerWaalsContact C-N 3.27Å; S108-I110 PolarHBondContact O-N 3.28Å | ||
| 109 | T | 55 | Low | 54.4 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -70.2 | 91.7 | 165.7 | -56.3 | 0 | 0 | 0 | 0 | 107 | S107 P111 | S107-T109 PolarHBondContact O-N 2.83Å; T109-P111 WeakPolarHBondContact O-CD 3.37Å | ||
| 110 | I | 57.6 | Low | 53.4 | Low | 119 Ų | 119 | 125.9 Ų | 125.9 | 61% | 0.61 | 75% | 0.751 | S | S | * | * | trans | -70.1 | 119.2 | 162.1 | -57 | 174.3 | 0 | 0 | 0 | 105.5 | S108 S112 | S108-I110 VanDerWaalsContact C-N 3.27Å; S108-I110 PolarHBondContact O-N 3.28Å; I110-S112 PolarHBondContact O-N 3Å | ||
| 111 | P | 52.9 | Low | 52.5 | Low | 84 Ų | 84 | 128.8 Ų | 128.8 | 55% | 0.545 | 77% | 0.766 | S | S | . | * | trans | -58.8 | 125.4 | 170.3 | -18.4 | 30.7 | 0 | 0 | 0 | 108.8 | T109 D113 | T109-P111 WeakPolarHBondContact O-CD 3.37Å; P111-D113 PolarHBondContact O-N 3.47Å | ||
| 112 | S | 55.5 | Low | 51.5 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -68.1 | 22 | -176.9 | -62.5 | 0 | 0 | 0 | 0 | 115.1 | I110 I114 | I110-S112 PolarHBondContact O-N 3Å; S112-I114 VanDerWaalsContact C-N 3.32Å |
| 113 | D | 53.3 | Low | 50.6 | Low | 148 Ų | 148 | 127.1 Ų | 127.1 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -88.5 | 1.4 | -178.5 | -60.3 | -30.6 | 0 | 0 | 0 | 112.9 | P111 | P111-D113 PolarHBondContact O-N 3.47Š|
| 114 | I | 57.6 | Low | 49.9 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -100.5 | 20.3 | -174.5 | -53.7 | 170.3 | 0 | 0 | 0 | 112.9 | S112 | S112-I114 VanDerWaalsContact C-N 3.32Š|
| 115 | I | 53.7 | Low | 49.1 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -137.4 | 80.7 | 166.6 | -48 | -178.4 | 0 | 0 | 0 | 110.3 | ||
| 116 | Q | 45.6 | Very low | 48.5 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -178.7 | 91.8 | 138.8 | -101.2 | 166.7 | 49.2 | 0 | 0 | 111 | ||||
| 117 | S | 37.2 | Very low | 48.3 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | -177.9 | 134.1 | 127.3 | 25.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 118 | T | 47.1 | Very low | 48.2 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -56.4 | 167.2 | 177.6 | 29.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 119 | P | 53.3 | Low | 48.5 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -85.3 | 125.7 | -156.7 | 33.6 | -30.2 | 0 | 0 | 0 | 111.8 | ||||
| 120 | E | 39.3 | Very low | 48.2 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -135.8 | 125.7 | 160.6 | -72.3 | -145.4 | 152.6 | 0 | 0 | 111.9 | ||||
| 121 | T | 43.3 | Very low | 47.5 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | trans | -13 | 127.9 | 151.1 | 25.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 122 | G | 39 | Very low | 47.6 | Very low | 66 Ų | 66 | 148.3 Ų | 148.3 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | 151.1 | 104.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 123 | T | 43.8 | Very low | 47.1 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 44.2 | 123.8 | 147.2 | 48.2 | 0 | 0 | 0 | 0 | 120 | R125 | T123-R125 PolarHBondContact O-N 3.4Š| ||
| 124 | P | 42.8 | Very low | 46.9 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -72.6 | 106.8 | 171.8 | 29.9 | -29 | 0 | 0 | 0 | 109.7 | ||||
| 125 | R | 46.6 | Very low | 46.4 | Very low | 241 Ų | 241 | 149.7 Ų | 149.7 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -80 | 128.8 | 165 | -102.3 | -165.3 | 172.6 | -178.3 | -0.4 | 110 | T123 | T123-R125 PolarHBondContact O-N 3.4Š| ||
| 126 | D | 45.1 | Very low | 46.4 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -40.3 | 129.6 | 173 | -154 | 6.6 | 0 | 0 | 0 | 115 | V128 | D126-V128 PolarHBondContact O-N 2.99Š| ||
| 127 | P | 52.8 | Low | 46.3 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -78.4 | 102.5 | 170.8 | 29.7 | -29.9 | 0 | 0 | 0 | 111.2 | ||||
| 128 | V | 44.4 | Very low | 47 | Very low | 122 Ų | 122 | 145 Ų | 145 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | trans | -0.9 | 113.3 | 152.5 | -129.8 | 0 | 0 | 0 | 0 | 117 | D126 F130 | D126-V128 PolarHBondContact O-N 2.99Å; V128-F130 PolarHBondContact O-N 2.95Å | ||
| 129 | N | 53.1 | Low | 47.5 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -18 | 102.4 | 155.2 | -82.1 | -58.2 | 0 | 0 | 0 | 116.9 | ||||
| 130 | F | 47.9 | Very low | 47.1 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -131.1 | 81.9 | 152.3 | -83.6 | -84.2 | 0 | 0 | 0 | 109.8 | V128 | V128-F130 PolarHBondContact O-N 2.95Š| ||
| 131 | C | 44 | Very low | 47.7 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 68% | 0.676 | 80% | 0.803 | S | S | * | * | trans | -179.6 | 89 | 154.5 | -98.7 | 0 | 0 | 0 | 0 | 109.4 | I133 | C131-I133 VanDerWaalsContact C-N 3.26Å; C131-I133 HydrophobicContact CB-CD1 4.12Å; C131-I133 HydrophobicContact CB-CG1 4Å; C131-I133 PolarHBondContact O-N 3.42Å | ||
| 132 | R | 54.8 | Low | 47.7 | Very low | 261 Ų | 261 | 143.1 Ų | 143.1 | 99% | 0.985 | 79% | 0.794 | S | S | * | * | trans | -69.8 | 90.7 | 157.9 | -85.6 | -173.4 | 177.8 | 179.5 | 0.4 | 107.4 | ||||
| 133 | I | 45.4 | Very low | 48.2 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 70% | 0.697 | 80% | 0.799 | S | S | * | * | trans | -115 | 127.1 | 164.1 | -38.5 | 169.9 | 0 | 0 | 0 | 105.8 | C131 Q135 | C131-I133 VanDerWaalsContact C-N 3.26Å; C131-I133 HydrophobicContact CB-CD1 4.12Å; C131-I133 HydrophobicContact CB-CG1 4Å; C131-I133 PolarHBondContact O-N 3.42Å; I133-Q135 PolarHBondContact O-N 3.12Å | ||
| 134 | S | 48.3 | Very low | 47.9 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -41.2 | 115.6 | -174 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | T136 | S134-T136 PolarHBondContact O-N 3.03Š| ||
| 135 | Q | 46.3 | Very low | 48.2 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -72.6 | 104.7 | 167.8 | -73.2 | -176.4 | -5.5 | 0 | 0 | 109.2 | I133 S137 | I133-Q135 PolarHBondContact O-N 3.12Å; Q135-S137 PolarHBondContact O-N 3.3Å | ||
| 136 | T | 53.6 | Low | 47.8 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -84.8 | 92.9 | 151.3 | 54.4 | 0 | 0 | 0 | 0 | 107.4 | S134 T138 | S134-T136 PolarHBondContact O-N 3.03Å; T136-T138 PolarHBondContact O-N 3.35Å | ||
| 137 | S | 44.7 | Very low | 47.8 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -55.6 | 116.3 | 172.9 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | Q135 | Q135-S137 PolarHBondContact O-N 3.3Š| ||
| 138 | T | 52.1 | Low | 47.1 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -118.5 | 112.4 | 158.1 | 49.7 | 0 | 0 | 0 | 0 | 106.6 | T136 | T136-T138 PolarHBondContact O-N 3.35Š| ||
| 139 | K | 57.1 | Low | 47.3 | Very low | 180 Ų | 180 | 145 Ų | 145 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 139.5 | 175.5 | -65.8 | 177.5 | 177.5 | -179.9 | 0 | 108.7 | V141 | K139-V141 PolarHBondContact O-N 2.92Š|
| 140 | P | 45.7 | Very low | 47 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67 | 124 | 167.2 | 27.3 | -30.6 | 0 | 0 | 0 | 108.9 | ||
| 141 | V | 51.2 | Low | 47.1 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 121.4 | 167.6 | 164.9 | 0 | 0 | 0 | 0 | 107.6 | K139 | K139-V141 PolarHBondContact O-N 2.92Š|
| 142 | S | 42.9 | Very low | 47.2 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66 | 127.4 | 167.3 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | E144 | S142-E144 PolarHBondContact O-N 2.9Å; S142-E144 VanDerWaalsContact O-N 3.15Å |
| 143 | P | 50.6 | Low | 46.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -75.9 | 105.3 | 168.4 | 29.1 | -27.3 | 0 | 0 | 0 | 107.8 | ||||
| 144 | E | 37.5 | Very low | 47 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -61.1 | 135.2 | 160.4 | -76.3 | -153.1 | 135.5 | 0 | 0 | 109.1 | S142 N146 | S142-E144 PolarHBondContact O-N 2.9Å; S142-E144 VanDerWaalsContact O-N 3.15Å; E144-N146 PolarHBondContact O-N 2.95Å; E144-N146 VanDerWaalsContact O-N 3.1Å | ||
| 145 | S | 48.3 | Very low | 47.1 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -58.1 | 107.6 | 171.9 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 146 | N | 38.9 | Very low | 47.5 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -134.1 | 121.5 | 155.1 | -90.6 | -42.2 | 0 | 0 | 0 | 109.2 | E144 V148 | E144-N146 PolarHBondContact O-N 2.95Å; E144-N146 VanDerWaalsContact O-N 3.1Å; N146-V148 PolarHBondContact O-N 3.39Å | ||
| 147 | S | 44.7 | Very low | 47.6 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -71.1 | 101.7 | -179.6 | 35.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 148 | V | 38.1 | Very low | 48 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | trans | -133.8 | 117.7 | 160.4 | -174.8 | 0 | 0 | 0 | 0 | 108 | N146 E150 | N146-V148 PolarHBondContact O-N 3.39Å; V148-E150 VanDerWaalsContact C-N 3.32Å; V148-E150 HydrophobicContact CG1-CG 4.15Å; V148-E150 PolarHBondContact O-N 3.03Å | ||
| 149 | K | 48.9 | Very low | 48.4 | Very low | 217 Ų | 217 | 137.6 Ų | 137.6 | 94% | 0.943 | 75% | 0.748 | S | S | * | * | trans | -66.7 | 93.4 | 165.6 | -83.6 | 177.3 | 172.6 | 176.8 | 0 | 107.3 | ||||
| 150 | E | 45.6 | Very low | 48.4 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | -106.7 | 120.4 | 162.4 | -93 | -178.5 | 163.7 | 0 | 0 | 109 | V148 | V148-E150 VanDerWaalsContact C-N 3.32Å; V148-E150 HydrophobicContact CG1-CG 4.15Å; V148-E150 PolarHBondContact O-N 3.03Å | ||
| 151 | E | 49.8 | Very low | 49 | Very low | 175 Ų | 175 | 135 Ų | 135 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -48.6 | 135.9 | 169.9 | -165.3 | 174.6 | -168.1 | 0 | 0 | 109.5 | T153 | E151-T153 PolarHBondContact O-N 3.36Š| ||
| 152 | P | 47.3 | Very low | 49.3 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -67.3 | 103 | -175.9 | 26.7 | -32.1 | 0 | 0 | 0 | 108.7 | I154 | P152-I154 PolarHBondContact O-N 3.12Š| ||
| 153 | T | 45.2 | Very low | 50 | Low | 125 Ų | 125 | 133.8 Ų | 133.8 | 77% | 0.767 | 71% | 0.708 | S | S | * | * | trans | -51.2 | 108.8 | 163 | -15.4 | 0 | 0 | 0 | 0 | 106.5 | E151 I155 | E151-T153 PolarHBondContact O-N 3.36Å; T153-I155 PolarHBondContact O-N 2.96Å | ||
| 154 | I | 51.3 | Low | 50.5 | Low | 144 Ų | 144 | 131.1 Ų | 131.1 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | trans | -65.2 | 92.6 | 174.3 | -60.2 | 170.1 | 0 | 0 | 0 | 105 | P152 L156 | P152-I154 PolarHBondContact O-N 3.12Å; I154-L156 HydrophobicContact CG2-CD1 4.1Å; I154-L156 PolarHBondContact O-N 3.35Å | ||
| 155 | I | 48.3 | Very low | 51.5 | Low | 136 Ų | 136 | 133.3 Ų | 133.3 | 70% | 0.697 | 70% | 0.698 | S | S | * | * | trans | -67.1 | 91.5 | 165.6 | -58.4 | 173.1 | 0 | 0 | 0 | 103.8 | T153 K157 | T153-I155 PolarHBondContact O-N 2.96Å; I155-K157 HydrophobicContact CG2-CG 4.24Å; I155-K157 PolarHBondContact O-N 3.39Å | ||
| 156 | L | 54.9 | Low | 52 | Low | 133 Ų | 133 | 131.2 Ų | 131.2 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | trans | -61.7 | 88.8 | 168.4 | -146.3 | 85.2 | 0 | 0 | 0 | 104.9 | I154 D158 | I154-L156 HydrophobicContact CG2-CD1 4.1Å; I154-L156 PolarHBondContact O-N 3.35Å; L156-D158 PolarHBondContact O-N 3.47Å | ||
| 157 | K | 55.5 | Low | 52.6 | Low | 159 Ų | 159 | 131.2 Ų | 131.2 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | trans | -62.5 | 97.5 | 171 | -79.8 | -179.3 | 176.6 | 176.8 | 0 | 104.8 | I155 N159 | I155-K157 HydrophobicContact CG2-CG 4.24Å; I155-K157 PolarHBondContact O-N 3.39Å; K157-N159 VanDerWaalsContact C-N 3.28Å; K157-N159 PolarHBondContact O-N 2.84Å; K157-N159 PolarHBondContact O-ND2 3.28Å; K157-N159 VanDerWaalsContact O-ND2 3.1Å | ||
| 158 | D | 53.9 | Low | 53.3 | Low | 92 Ų | 92 | 127.9 Ų | 127.9 | 49% | 0.492 | 68% | 0.68 | S | S | . | * | trans | -55.2 | 99.6 | 170 | -74.2 | -30.9 | 0 | 0 | 0 | 106.7 | L156 Y160 | L156-D158 PolarHBondContact O-N 3.47Å; D158-Y160 HydrophobicContact CB-CD2 3.88Å; D158-Y160 HydrophobicContact CB-CE1 4.03Å; D158-Y160 HydrophobicContact CB-CE2 3.23Å; D158-Y160 HydrophobicContact CB-CG 4.48Å; D158-Y160 WeakPolarHBondContact CB-OH 3.36Å; D158-Y160 WeakPolarHBondContact O-CD2 3.4Å; D158-Y160 WeakPolarHBondContact O-CE2 3.42Å; D158-Y160 PolarHBondContact O-N 3.43Å; D158-Y160 PolarHBondContact OD2-OH 3Å | ||
| 159 | N | 59.8 | Low | 54.2 | Low | 107 Ų | 107 | 132.1 Ų | 132.1 | 57% | 0.572 | 68% | 0.684 | S | S | * | * | trans | -77.9 | 74 | -178.4 | -71.2 | -61.4 | 0 | 0 | 0 | 107.8 | K157 F161 L162 | K157-N159 VanDerWaalsContact C-N 3.28Å; K157-N159 PolarHBondContact O-N 2.84Å; K157-N159 PolarHBondContact O-ND2 3.28Å; K157-N159 VanDerWaalsContact O-ND2 3.1Å; N159-F161 PolarHBondContact O-N 2.85Å; N159-L162 HydrophobicContact CB-CB 4.31Å; N159-L162 HydrophobicContact CB-CD1 3.89Å; N159-L162 HydrophobicContact CB-CG 4.26Å; N159-L162 PolarHBondContact O-N 2.92Å | ||
| 160 | Y | 58.7 | Low | 55 | Low | 89 Ų | 89 | 130.1 Ų | 130.1 | 35% | 0.349 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.6 | -16.3 | -179.1 | -63.3 | -79.4 | 0 | 0 | 0 | 113.5 | D158 R176 | D158-Y160 HydrophobicContact CB-CD2 3.88Å; D158-Y160 HydrophobicContact CB-CE1 4.03Å; D158-Y160 HydrophobicContact CB-CE2 3.23Å; D158-Y160 HydrophobicContact CB-CG 4.48Å; D158-Y160 WeakPolarHBondContact CB-OH 3.36Å; D158-Y160 WeakPolarHBondContact O-CD2 3.4Å; D158-Y160 WeakPolarHBondContact O-CE2 3.42Å; D158-Y160 PolarHBondContact O-N 3.43Å; D158-Y160 PolarHBondContact OD2-OH 3Å; Y160-R176 PolarHBondContact O-NH2 3Å |
| 161 | F | 57.4 | Low | 56 | Low | 163 Ų | 163 | 126.8 Ų | 126.8 | 72% | 0.715 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -13.7 | 178.1 | -73 | -88 | 0 | 0 | 0 | 114.6 | N159 R173 | N159-F161 PolarHBondContact O-N 2.85Å; F161-R173 VanDerWaalsContact CZ-NH2 3.31Å |
| 162 | L | 57.8 | Low | 57.1 | Low | 109 Ų | 109 | 121.1 Ų | 121.1 | 57% | 0.571 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -98.1 | 139.5 | 177.1 | -68.1 | 170.6 | 0 | 0 | 0 | 109.9 | N159 | N159-L162 HydrophobicContact CB-CB 4.31Å; N159-L162 HydrophobicContact CB-CD1 3.89Å; N159-L162 HydrophobicContact CB-CG 4.26Å; N159-L162 PolarHBondContact O-N 2.92Å |
| 163 | P | 58 | Low | 58.1 | Low | 98 Ų | 98 | 122 Ų | 122 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 145.8 | 171 | 24.3 | -30.4 | 0 | 0 | 0 | 110.2 | K165 | P163-K165 PolarHBondContact O-N 3.01Š|
| 164 | P | 60 | Low | 59.4 | Low | 63 Ų | 63 | 121.3 Ų | 121.3 | 41% | 0.409 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 135.8 | -178.6 | -17 | 28.5 | 0 | 0 | 0 | 110.8 | A166 | P164-A166 VanDerWaalsContact C-N 3.3Š|
| 165 | K | 59.6 | Low | 60.5 | Low | 217 Ų | 217 | 118.6 Ų | 118.6 | 94% | 0.943 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -84.2 | 1.7 | 175.9 | -70 | -163.9 | 175 | -174.6 | 0 | 114.1 | P163 | P163-K165 PolarHBondContact O-N 3.01Š|
| 166 | A | 58.4 | Low | 61.7 | Low | 71 Ų | 71 | 115 Ų | 115 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -107.5 | 144.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P164 G168 | P164-A166 VanDerWaalsContact C-N 3.3Å; A166-G168 VanDerWaalsContact C-N 3.28Å; A166-G168 PolarHBondContact O-N 3.08Å |
| 167 | P | 51.4 | Low | 62.4 | Low | 145 Ų | 145 | 112.2 Ų | 112.2 | 94% | 0.942 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -80.9 | 77.6 | 180 | 34.7 | -31.8 | 0 | 0 | 0 | 108.9 | ||
| 168 | G | 58.3 | Low | 63.4 | Low | 50 Ų | 50 | 109.6 Ų | 109.6 | 52% | 0.515 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -156.6 | 144 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110 | A166 Q170 | A166-G168 VanDerWaalsContact C-N 3.28Å; A166-G168 PolarHBondContact O-N 3.08Å; G168-Q170 PolarHBondContact O-N 3.24Å |
| 169 | R | 57.7 | Low | 64.2 | Low | 201 Ų | 201 | 108.6 Ų | 108.6 | 76% | 0.758 | 55% | 0.549 | S | S | * | . | trans | -9.8 | 108.7 | -173.7 | -96.5 | -178 | 179.6 | -127.1 | 1.9 | 114.4 | Y171 | R169-Y171 VanDerWaalsContact C-N 3.31Å; R169-Y171 HydrophobicContact CB-CD2 4.34Å; R169-Y171 HydrophobicContact CB-CE2 3.81Å; R169-Y171 VanDerWaalsContact O-CD2 3.27Å; R169-Y171 WeakPolarHBondContact O-CD2 3.47Å; R169-Y171 PolarHBondContact O-N 3.32Å | ||
| 170 | Q | 65.3 | Low | 64.6 | Low | 175 Ų | 175 | 106.1 Ų | 106.1 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | trans | -72.3 | 86.2 | 175.6 | -64.2 | -163.4 | -10.8 | 0 | 0 | 110.1 | G168 S172 | G168-Q170 PolarHBondContact O-N 3.24Å; Q170-S172 PolarHBondContact O-N 2.97Å | ||
| 171 | Y | 68.2 | Low | 65.2 | Low | 98 Ų | 98 | 106.6 Ų | 106.6 | 38% | 0.384 | 55% | 0.546 | S | S | . | . | trans | -66.9 | 129.4 | 167.2 | -64.2 | -77.1 | 0 | 0 | 0 | 108.9 | R169 Q175 R176 | R169-Y171 VanDerWaalsContact C-N 3.31Å; R169-Y171 HydrophobicContact CB-CD2 4.34Å; R169-Y171 HydrophobicContact CB-CE2 3.81Å; R169-Y171 VanDerWaalsContact O-CD2 3.27Å; R169-Y171 WeakPolarHBondContact O-CD2 3.47Å; R169-Y171 PolarHBondContact O-N 3.32Å; Y171-Q175 HydrophobicContact CD1-CB 4.23Å; Y171-R176 PolarHBondContact O-NH1 3.3Å | ||
| 172 | S | 71.9 | Confident | 65.6 | Low | 56 Ų | 56 | 104.1 Ų | 104.1 | 39% | 0.392 | 54% | 0.54 | S | S | . | . | trans | -58.4 | 158.1 | 172.9 | 78.1 | 0 | 0 | 0 | 0 | 110 | Q170 I174 Q175 R176 | Q170-S172 PolarHBondContact O-N 2.97Å; S172-I174 PolarHBondContact O-N 3.36Å; S172-I174 VanDerWaalsContact O-N 3.12Å; S172-Q175 WeakPolarHBondContact O-CB 3.42Å; S172-Q175 PolarHBondContact O-N 3.03Å; S172-Q175 WeakPolarHBondContact OG-CG 3.39Å; S172-Q175 PolarHBondContact OG-N 3.5Å; S172-R176 PolarHBondContact O-N 2.94Å | ||
| 173 | R | 68.7 | Low | 65.8 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -50.5 | -41.4 | 179.7 | 179.1 | 178.7 | 174.8 | 177.8 | -2.1 | 112.2 | F161 R176 I177 | F161-R173 VanDerWaalsContact CZ-NH2 3.31Å; R173-R176 PolarHBondContact O-N 3.31Å; R173-I177 HydrophobicContact CG-CD1 4.25Å; R173-I177 WeakPolarHBondContact O-CG1 3.41Å; R173-I177 PolarHBondContact O-N 3.25Å |
| 174 | I | 73.1 | Confident | 65.8 | Low | 111 Ų | 111 | 110.6 Ų | 110.6 | 57% | 0.569 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.5 | -43.7 | -179.8 | -61.7 | 171.6 | 0 | 0 | 0 | 110.6 | S172 R176 I177 Q178 | S172-I174 PolarHBondContact O-N 3.36Å; S172-I174 VanDerWaalsContact O-N 3.12Å; I174-R176 VanDerWaalsContact C-N 3.3Å; I174-R176 PolarHBondContact O-N 3.48Å; I174-I177 PolarHBondContact O-N 3.18Å; I174-Q178 HydrophobicContact CG2-CG 4.43Å; I174-Q178 WeakPolarHBondContact O-CG 3.46Å; I174-Q178 PolarHBondContact O-N 3.23Å |
| 175 | Q | 72.8 | Confident | 65.6 | Low | 88 Ų | 88 | 112.8 Ų | 112.8 | 41% | 0.411 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.6 | -36.4 | 177.2 | -72.8 | 169.7 | -12.5 | 0 | 0 | 112.3 | Y171 S172 Q178 N179 | Y171-Q175 HydrophobicContact CD1-CB 4.23Å; S172-Q175 WeakPolarHBondContact O-CB 3.42Å; S172-Q175 PolarHBondContact O-N 3.03Å; S172-Q175 WeakPolarHBondContact OG-CG 3.39Å; S172-Q175 PolarHBondContact OG-N 3.5Å; Q175-Q178 PolarHBondContact O-N 3.37Å; Q175-N179 WeakPolarHBondContact O-CB 3.44Å; Q175-N179 PolarHBondContact O-N 3.31Å |
| 176 | R | 73.4 | Confident | 64.9 | Low | 59 Ų | 59 | 108.2 Ų | 108.2 | 22% | 0.223 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -62.9 | -45.9 | 175.5 | -67.7 | -165.3 | -65.7 | -110.5 | 16.3 | 112 | Y160 Y171 S172 R173 I174 V180 | Y160-R176 PolarHBondContact O-NH2 3Å; Y171-R176 PolarHBondContact O-NH1 3.3Å; S172-R176 PolarHBondContact O-N 2.94Å; R173-R176 PolarHBondContact O-N 3.31Å; I174-R176 VanDerWaalsContact C-N 3.3Å; I174-R176 PolarHBondContact O-N 3.48Å; R176-V180 WeakPolarHBondContact O-CG2 3.31Å; R176-V180 PolarHBondContact O-N 3.14Å |
| 177 | I | 70.9 | Confident | 64.6 | Low | 75 Ų | 75 | 110 Ų | 110 | 39% | 0.385 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.3 | -46 | 178.6 | -65.7 | 166.7 | 0 | 0 | 0 | 109.9 | R173 I174 N179 V180 L181 | R173-I177 HydrophobicContact CG-CD1 4.25Å; R173-I177 WeakPolarHBondContact O-CG1 3.41Å; R173-I177 PolarHBondContact O-N 3.25Å; I174-I177 PolarHBondContact O-N 3.18Å; I177-N179 PolarHBondContact O-N 3.37Å; I177-V180 PolarHBondContact O-N 3.46Å; I177-L181 HydrophobicContact CG2-CD1 3.83Å; I177-L181 HydrophobicContact CG2-CG 4.41Å; I177-L181 VanDerWaalsContact O-CG 3.31Å; I177-L181 WeakPolarHBondContact O-CG 3.35Å; I177-L181 PolarHBondContact O-N 3.2Å; I177-L181 VanDerWaalsContact O-N 3.07Å |
| 178 | Q | 75.3 | Confident | 64.2 | Low | 105 Ų | 105 | 116.5 Ų | 116.5 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.1 | -40.6 | -179.8 | -74.2 | -180 | -18.1 | 0 | 0 | 113.1 | I174 Q175 V180 L181 N182 | I174-Q178 HydrophobicContact CG2-CG 4.43Å; I174-Q178 WeakPolarHBondContact O-CG 3.46Å; I174-Q178 PolarHBondContact O-N 3.23Å; Q175-Q178 PolarHBondContact O-N 3.37Å; Q178-V180 PolarHBondContact O-N 2.95Å; Q178-L181 PolarHBondContact O-N 3.08Å; Q178-N182 WeakPolarHBondContact O-CB 3.31Å; Q178-N182 VanDerWaalsContact O-CG 3.25Å; Q178-N182 PolarHBondContact O-N 2.9Å |
| 179 | N | 70.6 | Confident | 64.5 | Low | 70 Ų | 70 | 119.9 Ų | 119.9 | 37% | 0.374 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64 | -39 | 178.2 | -77.4 | -8.5 | 0 | 0 | 0 | 112.8 | Q175 I177 N183 | Q175-N179 WeakPolarHBondContact O-CB 3.44Å; Q175-N179 PolarHBondContact O-N 3.31Å; I177-N179 PolarHBondContact O-N 3.37Å; N179-N183 WeakPolarHBondContact O-CB 3.27Å; N179-N183 VanDerWaalsContact O-CG 3.29Å; N179-N183 PolarHBondContact O-N 3.2Å; N179-N183 PolarHBondContact O-ND2 3.23Å |
| 180 | V | 70.1 | Confident | 64.8 | Low | 55 Ų | 55 | 115.6 Ų | 115.6 | 33% | 0.333 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.1 | -39.8 | 176.4 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | R176 I177 Q178 R184 | R176-V180 WeakPolarHBondContact O-CG2 3.31Å; R176-V180 PolarHBondContact O-N 3.14Å; I177-V180 PolarHBondContact O-N 3.46Å; Q178-V180 PolarHBondContact O-N 2.95Å; V180-R184 PolarHBondContact O-N 3.19Å |
| 181 | L | 71.1 | Confident | 64.8 | Low | 100 Ų | 100 | 112.3 Ų | 112.3 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.6 | -43.7 | 176.9 | -68.2 | 173.8 | 0 | 0 | 0 | 111.6 | I177 Q178 N183 R184 | I177-L181 HydrophobicContact CG2-CD1 3.83Å; I177-L181 HydrophobicContact CG2-CG 4.41Å; I177-L181 VanDerWaalsContact O-CG 3.31Å; I177-L181 WeakPolarHBondContact O-CG 3.35Å; I177-L181 PolarHBondContact O-N 3.2Å; I177-L181 VanDerWaalsContact O-N 3.07Å; Q178-L181 PolarHBondContact O-N 3.08Å; L181-N183 PolarHBondContact O-N 3.04Å; L181-R184 PolarHBondContact O-N 3.29Å |
| 182 | N | 65.4 | Low | 64.6 | Low | 110 Ų | 110 | 113.1 Ų | 113.1 | 59% | 0.588 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.3 | -36.9 | 178.9 | -73.2 | -11.4 | 0 | 0 | 0 | 112.3 | Q178 R184 V185 | Q178-N182 WeakPolarHBondContact O-CB 3.31Å; Q178-N182 VanDerWaalsContact O-CG 3.25Å; Q178-N182 PolarHBondContact O-N 2.9Å; N182-R184 PolarHBondContact O-N 2.92Å; N182-V185 PolarHBondContact O-N 3.26Å |
| 183 | N | 61.6 | Low | 64.1 | Low | 136 Ų | 136 | 116.7 Ų | 116.7 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.7 | -14.9 | 176.8 | -74.1 | -16 | 0 | 0 | 0 | 113.9 | N179 L181 | N179-N183 WeakPolarHBondContact O-CB 3.27Å; N179-N183 VanDerWaalsContact O-CG 3.29Å; N179-N183 PolarHBondContact O-N 3.2Å; N179-N183 PolarHBondContact O-ND2 3.23Å; L181-N183 PolarHBondContact O-N 3.04Å |
| 184 | R | 58.9 | Low | 63.8 | Low | 207 Ų | 207 | 115.8 Ų | 115.8 | 78% | 0.781 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -88 | -15.7 | 174.5 | -76.2 | -175.5 | 178.4 | -161.3 | -0 | 113.4 | V180 L181 N182 V186 | V180-R184 PolarHBondContact O-N 3.19Å; L181-R184 PolarHBondContact O-N 3.29Å; N182-R184 PolarHBondContact O-N 2.92Å; R184-V186 PolarHBondContact O-N 3.05Å |
| 185 | V | 54.1 | Low | 63.2 | Low | 110 Ų | 110 | 116.1 Ų | 116.1 | 67% | 0.667 | 58% | 0.583 | S | S | * | * | trans | -95 | 78.6 | 175.9 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | N182 P187 | N182-V185 PolarHBondContact O-N 3.26Å; V185-P187 WeakPolarHBondContact O-CD 3.43Å | ||
| 186 | V | 46.4 | Very low | 62.4 | Low | 120 Ų | 120 | 118.3 Ų | 118.3 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | trans | -75.4 | 120 | 160.6 | -178.4 | 0 | 0 | 0 | 0 | 106.6 | R184 K188 | R184-V186 PolarHBondContact O-N 3.05Å; V186-K188 PolarHBondContact O-N 3.48Å | ||
| 187 | P | 51.8 | Low | 61.5 | Low | 110 Ų | 110 | 123.3 Ų | 123.3 | 71% | 0.714 | 63% | 0.628 | S | S | * | * | trans | -67.5 | 131.8 | 170.4 | 28 | -29.9 | 0 | 0 | 0 | 108.6 | V185 | V185-P187 WeakPolarHBondContact O-CD 3.43Š| ||
| 188 | K | 42.1 | Very low | 60.7 | Low | 281 Ų | 281 | 127.6 Ų | 127.6 | 100% | 1.222 | 65% | 0.65 | S | S | * | * | trans | -69 | 0 | 166.3 | -80.8 | -178.1 | 175.3 | 178 | 0 | 110.5 | V186 | V186-K188 PolarHBondContact O-N 3.48Š|
Retrieved 188 of 188 residues in 39.7 ms
(Link to these results)