| 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 | 55.8 | Low | 70 | Confident | 210 Ų | 210 | 137.2 Ų | 137.2 | 100% | 1.034 | 65% | 0.652 | S | S | * | * | 0 | -27.2 | 0 | -72.2 | -151.5 | -177.2 | 0 | 0 | 115 | |||||
| 2 | A | 62.1 | Low | 71.4 | Confident | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.7 | -36.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K5 K6 | A2-K5 PolarHBondContact O-N 3.29Å; A2-K6 PolarHBondContact O-N 3Å |
| 3 | R | 61.9 | Low | 72.9 | Confident | 214 Ų | 214 | 133.5 Ų | 133.5 | 81% | 0.808 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60 | -49.8 | 177.5 | -113.5 | 177.4 | 178.4 | 162.8 | -0.9 | 113 | K5 K6 D7 | R3-K5 PolarHBondContact O-N 3.42Å; R3-K5 VanDerWaalsContact O-N 3.17Å; R3-K6 WeakPolarHBondContact O-CB 3.42Å; R3-K6 PolarHBondContact O-N 3.25Å; R3-D7 PolarHBondContact O-N 3.5Å |
| 4 | A | 63.3 | Low | 74.2 | Confident | 68 Ų | 68 | 130.9 Ų | 130.9 | 56% | 0.562 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -60.8 | -27.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R8 | A4-R8 WeakPolarHBondContact O-CB 3.31Å; A4-R8 PolarHBondContact O-N 3.23Å |
| 5 | K | 64.5 | Low | 75.3 | Confident | 152 Ų | 152 | 130.8 Ų | 130.8 | 66% | 0.661 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.2 | -34.1 | 174.3 | -68.4 | -171.8 | 177.8 | -173.9 | 0 | 112.3 | A2 R3 N9 | A2-K5 PolarHBondContact O-N 3.29Å; R3-K5 PolarHBondContact O-N 3.42Å; R3-K5 VanDerWaalsContact O-N 3.17Å; K5-N9 PolarHBondContact O-N 3.3Å |
| 6 | K | 69.8 | Low | 76.2 | Confident | 150 Ų | 150 | 126.9 Ų | 126.9 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.3 | -46.4 | 175.7 | -169.7 | 178.7 | 178.5 | -179 | 0 | 111 | A2 R3 R8 N9 E10 | A2-K6 PolarHBondContact O-N 3Å; R3-K6 WeakPolarHBondContact O-CB 3.42Å; R3-K6 PolarHBondContact O-N 3.25Å; K6-R8 VanDerWaalsContact C-N 3.3Å; K6-R8 PolarHBondContact O-N 2.99Å; K6-N9 PolarHBondContact O-N 3.17Å; K6-E10 PolarHBondContact O-N 2.95Å |
| 7 | D | 68.4 | Low | 77.1 | Confident | 73 Ų | 73 | 127.6 Ų | 127.6 | 39% | 0.39 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.1 | -39.9 | 178.8 | -58.3 | -18.8 | 0 | 0 | 0 | 111.1 | R3 N9 E10 Y11 | R3-D7 PolarHBondContact O-N 3.5Å; D7-N9 PolarHBondContact O-N 3.34Å; D7-E10 PolarHBondContact O-N 3.34Å; D7-Y11 HydrophobicContact CB-CE2 4.28Å; D7-Y11 WeakPolarHBondContact O-CD2 3.41Å; D7-Y11 PolarHBondContact O-N 3.21Å |
| 8 | R | 73.4 | Confident | 77.7 | Confident | 196 Ų | 196 | 127.2 Ų | 127.2 | 74% | 0.74 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.4 | -39.1 | 177.5 | -161.7 | -178.5 | -174.9 | -176.5 | 1.6 | 112.8 | A4 K6 Q12 | A4-R8 WeakPolarHBondContact O-CB 3.31Å; A4-R8 PolarHBondContact O-N 3.23Å; K6-R8 VanDerWaalsContact C-N 3.3Å; K6-R8 PolarHBondContact O-N 2.99Å; R8-Q12 WeakPolarHBondContact O-CB 3.01Å; R8-Q12 PolarHBondContact O-N 3.35Å; R8-Q12 VanDerWaalsContact O-N 3.1Å |
| 9 | N | 78.8 | Confident | 78.4 | Confident | 99 Ų | 99 | 124.2 Ų | 124.2 | 53% | 0.529 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68 | -38.2 | 174.9 | -79.6 | 15.2 | 0 | 0 | 0 | 111.4 | K5 K6 D7 Q12 E13 | K5-N9 PolarHBondContact O-N 3.3Å; K6-N9 PolarHBondContact O-N 3.17Å; D7-N9 PolarHBondContact O-N 3.34Å; N9-Q12 PolarHBondContact O-N 3.04Å; N9-E13 WeakPolarHBondContact O-CG 3.31Å; N9-E13 PolarHBondContact O-N 3.26Å |
| 10 | E | 84.6 | Confident | 78.9 | Confident | 96 Ų | 96 | 122.8 Ų | 122.8 | 45% | 0.449 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.1 | -42.6 | 179.2 | -170.1 | 164.2 | -170 | 0 | 0 | 112.3 | K6 D7 Q12 E13 Q14 | K6-E10 PolarHBondContact O-N 2.95Å; D7-E10 PolarHBondContact O-N 3.34Å; E10-Q12 VanDerWaalsContact C-N 3.32Å; E10-Q12 PolarHBondContact O-N 3.47Å; E10-E13 PolarHBondContact O-N 3.02Å; E10-Q14 WeakPolarHBondContact O-CG 3.34Å; E10-Q14 PolarHBondContact O-N 3.22Å |
| 11 | Y | 86.9 | Confident | 79.3 | Confident | 167 Ų | 167 | 119.8 Ų | 119.8 | 66% | 0.655 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.9 | -36.1 | 172.8 | -73.2 | -62.5 | 0 | 0 | 0 | 112.6 | D7 Q14 F15 | D7-Y11 HydrophobicContact CB-CE2 4.28Å; D7-Y11 WeakPolarHBondContact O-CD2 3.41Å; D7-Y11 PolarHBondContact O-N 3.21Å; Y11-Q14 PolarHBondContact O-N 3.3Å; Y11-F15 WeakPolarHBondContact O-CB 3.39Å; Y11-F15 PolarHBondContact O-N 3.38Å |
| 12 | Q | 87.7 | Confident | 80.6 | Confident | 121 Ų | 121 | 113.3 Ų | 113.3 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.2 | -43.9 | 175.5 | -177.3 | 174.4 | -15.9 | 0 | 0 | 111.2 | R8 N9 E10 F15 V16 | R8-Q12 WeakPolarHBondContact O-CB 3.01Å; R8-Q12 PolarHBondContact O-N 3.35Å; R8-Q12 VanDerWaalsContact O-N 3.1Å; N9-Q12 PolarHBondContact O-N 3.04Å; E10-Q12 VanDerWaalsContact C-N 3.32Å; E10-Q12 PolarHBondContact O-N 3.47Å; Q12-F15 PolarHBondContact O-N 3.03Å; Q12-V16 VanDerWaalsContact O-CG2 3.32Å; Q12-V16 WeakPolarHBondContact O-CG2 3.36Å; Q12-V16 PolarHBondContact O-N 3.3Å |
| 13 | E | 90.3 | Very high | 81.5 | Confident | 105 Ų | 105 | 112.5 Ų | 112.5 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.4 | -75.1 | -178 | -165.1 | 0 | 0 | 112.7 | N9 E10 F15 V16 R17 | N9-E13 WeakPolarHBondContact O-CG 3.31Å; N9-E13 PolarHBondContact O-N 3.26Å; E10-E13 PolarHBondContact O-N 3.02Å; E13-F15 VanDerWaalsContact C-N 3.32Å; E13-V16 PolarHBondContact O-N 3.18Å; E13-R17 WeakPolarHBondContact O-CG 3.35Å; E13-R17 PolarHBondContact O-N 3.46Å; E13-R17 IonicContact OE2-NH1 3.45Å; E13-R17 PolarHBondContact OE2-NH1 3.1Å; E13-R17 IonicContact OE2-NH2 3.89Å |
| 14 | Q | 90.7 | Very high | 82.3 | Confident | 98 Ų | 98 | 108.7 Ų | 108.7 | 46% | 0.458 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 174.2 | -73 | -177.7 | 11.8 | 0 | 0 | 111.8 | E10 Y11 R17 F18 | E10-Q14 WeakPolarHBondContact O-CG 3.34Å; E10-Q14 PolarHBondContact O-N 3.22Å; Y11-Q14 PolarHBondContact O-N 3.3Å; Q14-R17 PolarHBondContact O-N 2.83Å; Q14-F18 WeakPolarHBondContact O-CB 3.45Å; Q14-F18 PolarHBondContact O-N 3.29Å |
| 15 | F | 90.6 | Very high | 82.9 | Confident | 129 Ų | 129 | 109.8 Ų | 109.8 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 176.7 | -176.3 | -105.3 | 0 | 0 | 0 | 112 | Y11 Q12 E13 F18 I19 | Y11-F15 WeakPolarHBondContact O-CB 3.39Å; Y11-F15 PolarHBondContact O-N 3.38Å; Q12-F15 PolarHBondContact O-N 3.03Å; E13-F15 VanDerWaalsContact C-N 3.32Å; F15-F18 WeakPolarHBondContact O-CB 3.48Å; F15-F18 PolarHBondContact O-N 2.92Å; F15-I19 HydrophobicContact CD1-CG1 4.34Å; F15-I19 HydrophobicContact CE1-CD1 4.48Å; F15-I19 HydrophobicContact CE1-CG1 3.95Å; F15-I19 HydrophobicContact CE2-CD1 4.3Å; F15-I19 HydrophobicContact CE2-CG1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 4Å; F15-I19 HydrophobicContact CZ-CG1 3.93Å; F15-I19 WeakPolarHBondContact O-CG1 3.37Å; F15-I19 PolarHBondContact O-N 3.45Å |
| 16 | V | 91.2 | Very high | 83.4 | Confident | 68 Ų | 68 | 110.1 Ų | 110.1 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 176 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Q12 E13 F18 I19 D20 | Q12-V16 VanDerWaalsContact O-CG2 3.32Å; Q12-V16 WeakPolarHBondContact O-CG2 3.36Å; Q12-V16 PolarHBondContact O-N 3.3Å; E13-V16 PolarHBondContact O-N 3.18Å; V16-F18 PolarHBondContact O-N 2.96Å; V16-I19 PolarHBondContact O-N 2.92Å; V16-I19 VanDerWaalsContact O-N 3.09Å; V16-D20 VanDerWaalsContact O-CG 3.3Å; V16-D20 PolarHBondContact O-N 3.46Å |
| 17 | R | 90.9 | Very high | 83.1 | Confident | 139 Ų | 139 | 106.9 Ų | 106.9 | 53% | 0.525 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58 | -36.7 | 177.2 | -73.9 | -172.7 | -74.8 | -105.6 | -0.1 | 112.9 | E13 Q14 S21 | E13-R17 WeakPolarHBondContact O-CG 3.35Å; E13-R17 PolarHBondContact O-N 3.46Å; E13-R17 IonicContact OE2-NH1 3.45Å; E13-R17 PolarHBondContact OE2-NH1 3.1Å; E13-R17 IonicContact OE2-NH2 3.89Å; Q14-R17 PolarHBondContact O-N 2.83Å; R17-S21 WeakPolarHBondContact O-CB 3.47Å; R17-S21 PolarHBondContact O-N 2.96Å; R17-S21 VanDerWaalsContact O-N 3.08Å |
| 18 | F | 88.4 | Confident | 83 | Confident | 121 Ų | 121 | 109.6 Ų | 109.6 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -44.2 | 175.8 | 173.7 | -107.6 | 0 | 0 | 0 | 112.3 | Q14 F15 V16 S21 I22 | Q14-F18 WeakPolarHBondContact O-CB 3.45Å; Q14-F18 PolarHBondContact O-N 3.29Å; F15-F18 WeakPolarHBondContact O-CB 3.48Å; F15-F18 PolarHBondContact O-N 2.92Å; V16-F18 PolarHBondContact O-N 2.96Å; F18-S21 PolarHBondContact O-N 3.44Å; F18-I22 HydrophobicContact CD1-CD1 4.12Å; F18-I22 HydrophobicContact CD2-CD1 4.32Å; F18-I22 HydrophobicContact CE1-CD1 3.49Å; F18-I22 VanDerWaalsContact CE1-CD1 3.49Å; F18-I22 HydrophobicContact CE2-CD1 3.71Å; F18-I22 HydrophobicContact CE2-CG1 4.34Å; F18-I22 HydrophobicContact CZ-CD1 3.28Å; F18-I22 HydrophobicContact CZ-CG1 4.35Å; F18-I22 PolarHBondContact O-N 3.23Å |
| 19 | I | 91.1 | Very high | 82.8 | Confident | 70 Ų | 70 | 105.7 Ų | 105.7 | 36% | 0.359 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 177.1 | -66.3 | -62.6 | 0 | 0 | 0 | 111.2 | F15 V16 S21 I22 S23 | F15-I19 HydrophobicContact CD1-CG1 4.34Å; F15-I19 HydrophobicContact CE1-CD1 4.48Å; F15-I19 HydrophobicContact CE1-CG1 3.95Å; F15-I19 HydrophobicContact CE2-CD1 4.3Å; F15-I19 HydrophobicContact CE2-CG1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 4Å; F15-I19 HydrophobicContact CZ-CG1 3.93Å; F15-I19 WeakPolarHBondContact O-CG1 3.37Å; F15-I19 PolarHBondContact O-N 3.45Å; V16-I19 PolarHBondContact O-N 2.92Å; V16-I19 VanDerWaalsContact O-N 3.09Å; I19-S21 VanDerWaalsContact C-N 3.34Å; I19-S21 PolarHBondContact O-N 2.96Å; I19-I22 PolarHBondContact O-N 3.21Å; I19-S23 VanDerWaalsContact O-CB 3.3Å; I19-S23 WeakPolarHBondContact O-CB 3.35Å; I19-S23 PolarHBondContact O-N 3.45Å; I19-S23 PolarHBondContact O-OG 3.31Å |
| 20 | D | 88 | Confident | 82.4 | Confident | 95 Ų | 95 | 102.8 Ų | 102.8 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 176.7 | -66.9 | -21.5 | 0 | 0 | 0 | 110.9 | V16 I22 S23 E24 | V16-D20 VanDerWaalsContact O-CG 3.3Å; V16-D20 PolarHBondContact O-N 3.46Å; D20-I22 PolarHBondContact O-N 3.41Å; D20-S23 PolarHBondContact O-N 3.41Å; D20-E24 PolarHBondContact O-N 2.95Å |
| 21 | S | 86 | Confident | 82.1 | Confident | 60 Ų | 60 | 103.7 Ų | 103.7 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.2 | 178.1 | 0 | 0 | 0 | 0 | 112.9 | R17 F18 I19 H25 | R17-S21 WeakPolarHBondContact O-CB 3.47Å; R17-S21 PolarHBondContact O-N 2.96Å; R17-S21 VanDerWaalsContact O-N 3.08Å; F18-S21 PolarHBondContact O-N 3.44Å; I19-S21 VanDerWaalsContact C-N 3.34Å; I19-S21 PolarHBondContact O-N 2.96Å; S21-H25 PolarHBondContact O-ND1 3.03Å |
| 22 | I | 83.6 | Confident | 81.6 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 175.4 | -69.7 | 176.9 | 0 | 0 | 0 | 110.6 | F18 I19 D20 E24 H25 Y26 | F18-I22 HydrophobicContact CD1-CD1 4.12Å; F18-I22 HydrophobicContact CD2-CD1 4.32Å; F18-I22 HydrophobicContact CE1-CD1 3.49Å; F18-I22 VanDerWaalsContact CE1-CD1 3.49Å; F18-I22 HydrophobicContact CE2-CD1 3.71Å; F18-I22 HydrophobicContact CE2-CG1 4.34Å; F18-I22 HydrophobicContact CZ-CD1 3.28Å; F18-I22 HydrophobicContact CZ-CG1 4.35Å; F18-I22 PolarHBondContact O-N 3.23Å; I19-I22 PolarHBondContact O-N 3.21Å; D20-I22 PolarHBondContact O-N 3.41Å; I22-E24 VanDerWaalsContact C-N 3.32Å; I22-E24 PolarHBondContact O-N 3.41Å; I22-H25 PolarHBondContact O-N 3.03Å; I22-Y26 WeakPolarHBondContact O-CB 3.42Å; I22-Y26 PolarHBondContact O-N 3.49Å |
| 23 | S | 80.8 | Confident | 81.3 | Confident | 66 Ų | 66 | 96.7 Ų | 96.7 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | -175.5 | -59 | 0 | 0 | 0 | 0 | 112 | I19 D20 H25 Y26 | I19-S23 VanDerWaalsContact O-CB 3.3Å; I19-S23 WeakPolarHBondContact O-CB 3.35Å; I19-S23 PolarHBondContact O-N 3.45Å; I19-S23 PolarHBondContact O-OG 3.31Å; D20-S23 PolarHBondContact O-N 3.41Å; S23-H25 VanDerWaalsContact C-N 3.32Å; S23-H25 PolarHBondContact O-N 3.16Å; S23-Y26 PolarHBondContact O-N 3.45Å |
| 24 | E | 79.7 | Confident | 80.9 | Confident | 135 Ų | 135 | 98.2 Ų | 98.2 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.4 | -43.7 | 176.6 | -173.6 | 172 | -153.4 | 0 | 0 | 112.1 | D20 I22 | D20-E24 PolarHBondContact O-N 2.95Å; I22-E24 VanDerWaalsContact C-N 3.32Å; I22-E24 PolarHBondContact O-N 3.41Å |
| 25 | H | 76.6 | Confident | 80.8 | Confident | 90 Ų | 90 | 98 Ų | 98 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -90.8 | -13.8 | -175.3 | -59.6 | 84.3 | 0 | 0 | 0 | 113.4 | S21 I22 S23 V27 E28 L29 | S21-H25 PolarHBondContact O-ND1 3.03Å; I22-H25 PolarHBondContact O-N 3.03Å; S23-H25 VanDerWaalsContact C-N 3.32Å; S23-H25 PolarHBondContact O-N 3.16Å; H25-V27 PolarHBondContact O-N 3.02Å; H25-E28 PolarHBondContact O-N 2.76Å; H25-L29 HydrophobicContact CB-CD1 4.48Å; H25-L29 WeakPolarHBondContact O-CB 3.46Å; H25-L29 WeakPolarHBondContact O-CD1 3.37Å; H25-L29 WeakPolarHBondContact O-CG 3.38Å; H25-L29 PolarHBondContact O-N 2.97Å |
| 26 | Y | 74.9 | Confident | 80.6 | Confident | 160 Ų | 160 | 94.7 Ų | 94.7 | 63% | 0.627 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.4 | -36.3 | -175.4 | -162 | -95.9 | 0 | 0 | 0 | 112.7 | I22 S23 S30 | I22-Y26 WeakPolarHBondContact O-CB 3.42Å; I22-Y26 PolarHBondContact O-N 3.49Å; S23-Y26 PolarHBondContact O-N 3.45Å; Y26-S30 WeakPolarHBondContact O-CB 3.49Å; Y26-S30 PolarHBondContact O-N 3.41Å |
| 27 | V | 63.5 | Low | 80.5 | Confident | 81 Ų | 81 | 96.5 Ų | 96.5 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -50.1 | 176.6 | 179 | 0 | 0 | 0 | 0 | 109.6 | H25 L29 S30 E31 | H25-V27 PolarHBondContact O-N 3.02Å; V27-L29 PolarHBondContact O-N 2.99Å; V27-S30 PolarHBondContact O-N 3.01Å; V27-S30 VanDerWaalsContact O-N 3.13Å; V27-S30 PolarHBondContact O-OG 3.46Å; V27-E31 HydrophobicContact CG1-CG 4.49Å; V27-E31 WeakPolarHBondContact O-CG 3.4Å; V27-E31 PolarHBondContact O-N 3.29Å |
| 28 | E | 66.1 | Low | 80.6 | Confident | 130 Ų | 130 | 94.1 Ų | 94.1 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -41.8 | 179.4 | -62.4 | -175.8 | 166.4 | 0 | 0 | 112.6 | H25 E31 G32 | H25-E28 PolarHBondContact O-N 2.76Å; E28-E31 PolarHBondContact O-N 2.93Å; E28-G32 PolarHBondContact O-N 3.08Å |
| 29 | L | 68.8 | Low | 80.9 | Confident | 115 Ų | 115 | 90.4 Ų | 90.4 | 60% | 0.602 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 174.8 | -81.6 | 157.4 | 0 | 0 | 0 | 111.8 | H25 V27 G32 V33 | H25-L29 HydrophobicContact CB-CD1 4.48Å; H25-L29 WeakPolarHBondContact O-CB 3.46Å; H25-L29 WeakPolarHBondContact O-CD1 3.37Å; H25-L29 WeakPolarHBondContact O-CG 3.38Å; H25-L29 PolarHBondContact O-N 2.97Å; V27-L29 PolarHBondContact O-N 2.99Å; L29-G32 PolarHBondContact O-N 3.49Å; L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.41Å; L29-V33 PolarHBondContact O-N 3.3Å |
| 30 | S | 70.4 | Confident | 81 | Confident | 38 Ų | 38 | 91.1 Ų | 91.1 | 27% | 0.266 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.8 | -36.8 | -179.1 | 80.6 | 0 | 0 | 0 | 0 | 112.5 | Y26 V27 K34 | Y26-S30 WeakPolarHBondContact O-CB 3.49Å; Y26-S30 PolarHBondContact O-N 3.41Å; V27-S30 PolarHBondContact O-N 3.01Å; V27-S30 VanDerWaalsContact O-N 3.13Å; V27-S30 PolarHBondContact O-OG 3.46Å; S30-K34 WeakPolarHBondContact O-CD 3.32Å; S30-K34 VanDerWaalsContact O-CG 3.26Å; S30-K34 WeakPolarHBondContact O-CG 3.3Å; S30-K34 PolarHBondContact O-N 2.88Å |
| 31 | E | 77.1 | Confident | 81.3 | Confident | 115 Ų | 115 | 92.7 Ų | 92.7 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.9 | -38.7 | 176.3 | -69.7 | -173.7 | 172.7 | 0 | 0 | 111.5 | V27 E28 V33 K34 T35 | V27-E31 HydrophobicContact CG1-CG 4.49Å; V27-E31 WeakPolarHBondContact O-CG 3.4Å; V27-E31 PolarHBondContact O-N 3.29Å; E28-E31 PolarHBondContact O-N 2.93Å; E31-V33 PolarHBondContact O-N 3.33Å; E31-K34 PolarHBondContact O-N 2.9Å; E31-T35 VanDerWaalsContact O-CB 3.28Å; E31-T35 WeakPolarHBondContact O-CB 3.38Å; E31-T35 PolarHBondContact O-N 3.09Å; E31-T35 PolarHBondContact O-OG1 3.32Å |
| 32 | G | 77.3 | Confident | 81.8 | Confident | 42 Ų | 42 | 93.3 Ų | 93.3 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E28 L29 T35 A36 | E28-G32 PolarHBondContact O-N 3.08Å; L29-G32 PolarHBondContact O-N 3.49Å; G32-T35 PolarHBondContact O-N 3.39Å; G32-A36 WeakPolarHBondContact O-CB 3.31Å; G32-A36 PolarHBondContact O-N 3.23Å |
| 33 | V | 81.9 | Confident | 82.3 | Confident | 98 Ų | 98 | 97.2 Ų | 97.2 | 59% | 0.594 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65 | -45.8 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L29 E31 T35 A36 E37 | L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.41Å; L29-V33 PolarHBondContact O-N 3.3Å; E31-V33 PolarHBondContact O-N 3.33Å; V33-T35 VanDerWaalsContact C-N 3.31Å; V33-T35 PolarHBondContact O-N 3.07Å; V33-A36 PolarHBondContact O-N 3.43Å; V33-E37 WeakPolarHBondContact O-CB 3.4Å; V33-E37 PolarHBondContact O-N 2.71Å |
| 34 | K | 81.9 | Confident | 83 | Confident | 137 Ų | 137 | 99.9 Ų | 99.9 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 177.2 | -72.7 | 169.4 | -174.8 | 169.4 | 0 | 111.9 | S30 E31 E37 L38 | S30-K34 WeakPolarHBondContact O-CD 3.32Å; S30-K34 VanDerWaalsContact O-CG 3.26Å; S30-K34 WeakPolarHBondContact O-CG 3.3Å; S30-K34 PolarHBondContact O-N 2.88Å; E31-K34 PolarHBondContact O-N 2.9Å; K34-E37 PolarHBondContact O-N 2.8Å; K34-L38 WeakPolarHBondContact O-CB 3.42Å; K34-L38 PolarHBondContact O-N 3.29Å |
| 35 | T | 88.2 | Confident | 83.8 | Confident | 93 Ų | 93 | 99.8 Ų | 99.8 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -44 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | E31 G32 V33 L38 A39 | E31-T35 VanDerWaalsContact O-CB 3.28Å; E31-T35 WeakPolarHBondContact O-CB 3.38Å; E31-T35 PolarHBondContact O-N 3.09Å; E31-T35 PolarHBondContact O-OG1 3.32Å; G32-T35 PolarHBondContact O-N 3.39Å; V33-T35 VanDerWaalsContact C-N 3.31Å; V33-T35 PolarHBondContact O-N 3.07Å; T35-L38 PolarHBondContact O-N 2.75Å; T35-A39 WeakPolarHBondContact O-CB 3.38Å; T35-A39 PolarHBondContact O-N 3.46Å |
| 36 | A | 86.3 | Confident | 84.7 | Confident | 61 Ų | 61 | 100.7 Ų | 100.7 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G32 V33 L40 | G32-A36 WeakPolarHBondContact O-CB 3.31Å; G32-A36 PolarHBondContact O-N 3.23Å; V33-A36 PolarHBondContact O-N 3.43Å; A36-L40 WeakPolarHBondContact O-CB 3.33Å; A36-L40 PolarHBondContact O-N 3.01Å |
| 37 | E | 88.7 | Confident | 85.6 | Confident | 106 Ų | 106 | 95.7 Ų | 95.7 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 175.6 | -167.3 | -169.2 | 150.3 | 0 | 0 | 111.4 | V33 K34 L40 R41 | V33-E37 WeakPolarHBondContact O-CB 3.4Å; V33-E37 PolarHBondContact O-N 2.71Å; K34-E37 PolarHBondContact O-N 2.8Å; E37-L40 PolarHBondContact O-N 3.42Å; E37-R41 PolarHBondContact O-N 3.49Å; E37-R41 IonicContact OE1-NH2 2.82Å; E37-R41 PolarHBondContact OE1-NH2 3.41Å |
| 38 | L | 94.4 | Very high | 87.2 | Confident | 88 Ų | 88 | 99.5 Ų | 99.5 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 177.1 | -178.1 | 62.9 | 0 | 0 | 0 | 111.5 | K34 T35 L40 R41 I42 | K34-L38 WeakPolarHBondContact O-CB 3.42Å; K34-L38 PolarHBondContact O-N 3.29Å; T35-L38 PolarHBondContact O-N 2.75Å; L38-L40 VanDerWaalsContact C-N 3.27Å; L38-L40 PolarHBondContact O-N 2.98Å; L38-R41 WeakPolarHBondContact O-CB 3.43Å; L38-R41 PolarHBondContact O-N 3.41Å; L38-R41 VanDerWaalsContact O-N 3.12Å; L38-I42 HydrophobicContact CD1-CD1 4.36Å; L38-I42 HydrophobicContact CG-CD1 4.07Å; L38-I42 WeakPolarHBondContact O-CG1 3.46Å; L38-I42 PolarHBondContact O-N 3.01Å |
| 39 | A | 92.7 | Very high | 88.5 | Confident | 43 Ų | 43 | 97.6 Ų | 97.6 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -33.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T35 R43 | T35-A39 WeakPolarHBondContact O-CB 3.38Å; T35-A39 PolarHBondContact O-N 3.46Å; A39-R43 WeakPolarHBondContact O-CG 3.39Å; A39-R43 PolarHBondContact O-N 3.49Å; A39-R43 PolarHBondContact O-NE 3.24Å |
| 40 | L | 93.5 | Very high | 89.8 | Confident | 86 Ų | 86 | 98.9 Ų | 98.9 | 45% | 0.45 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 172.8 | -178.8 | 62.1 | 0 | 0 | 0 | 111.4 | A36 E37 L38 R43 Q44 | A36-L40 WeakPolarHBondContact O-CB 3.33Å; A36-L40 PolarHBondContact O-N 3.01Å; E37-L40 PolarHBondContact O-N 3.42Å; L38-L40 VanDerWaalsContact C-N 3.27Å; L38-L40 PolarHBondContact O-N 2.98Å; L40-R43 PolarHBondContact O-N 3.2Å; L40-Q44 WeakPolarHBondContact O-CG 3.26Å; L40-Q44 PolarHBondContact O-N 3.32Å; L40-Q44 VanDerWaalsContact O-N 3.08Å |
| 41 | R | 94.9 | Very high | 90.9 | Very high | 127 Ų | 127 | 105.3 Ų | 105.3 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 179 | -169.1 | -177.7 | -60.2 | 141.2 | 2.6 | 111.7 | E37 L38 R43 Q44 E45 | E37-R41 PolarHBondContact O-N 3.49Å; E37-R41 IonicContact OE1-NH2 2.82Å; E37-R41 PolarHBondContact OE1-NH2 3.41Å; L38-R41 WeakPolarHBondContact O-CB 3.43Å; L38-R41 PolarHBondContact O-N 3.41Å; L38-R41 VanDerWaalsContact O-N 3.12Å; R41-R43 PolarHBondContact O-N 3.33Å; R41-Q44 PolarHBondContact O-N 3.43Å; R41-E45 PolarHBondContact O-N 3.46Å |
| 42 | I | 96.2 | Very high | 91.7 | Very high | 73 Ų | 73 | 107 Ų | 107 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 177.3 | -67.7 | 167.3 | 0 | 0 | 0 | 110.4 | L38 Q44 E45 E46 | L38-I42 HydrophobicContact CD1-CD1 4.36Å; L38-I42 HydrophobicContact CG-CD1 4.07Å; L38-I42 WeakPolarHBondContact O-CG1 3.46Å; L38-I42 PolarHBondContact O-N 3.01Å; I42-Q44 VanDerWaalsContact C-N 3.27Å; I42-Q44 PolarHBondContact O-N 2.89Å; I42-E45 WeakPolarHBondContact O-CB 3.44Å; I42-E45 PolarHBondContact O-N 2.9Å; I42-E45 VanDerWaalsContact O-N 3.08Å; I42-E46 HydrophobicContact CG2-CG 4.21Å; I42-E46 WeakPolarHBondContact O-CG 3.44Å; I42-E46 PolarHBondContact O-N 2.9Å |
| 43 | R | 94.2 | Very high | 92.6 | Very high | 158 Ų | 158 | 109.9 Ų | 109.9 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.7 | -36.8 | 179.1 | -76.6 | -174.8 | -70.3 | 175.2 | -3.2 | 113.4 | A39 L40 R41 A47 | A39-R43 WeakPolarHBondContact O-CG 3.39Å; A39-R43 PolarHBondContact O-N 3.49Å; A39-R43 PolarHBondContact O-NE 3.24Å; L40-R43 PolarHBondContact O-N 3.2Å; R41-R43 PolarHBondContact O-N 3.33Å; R43-A47 WeakPolarHBondContact O-CB 3.46Å; R43-A47 PolarHBondContact O-N 2.81Å |
| 44 | Q | 96 | Very high | 93.1 | Very high | 121 Ų | 121 | 111.3 Ų | 111.3 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.6 | -39.9 | 176.2 | -71.7 | 175.3 | -0.5 | 0 | 0 | 111.8 | L40 R41 I42 K48 | L40-Q44 WeakPolarHBondContact O-CG 3.26Å; L40-Q44 PolarHBondContact O-N 3.32Å; L40-Q44 VanDerWaalsContact O-N 3.08Å; R41-Q44 PolarHBondContact O-N 3.43Å; I42-Q44 VanDerWaalsContact C-N 3.27Å; I42-Q44 PolarHBondContact O-N 2.89Å; Q44-K48 WeakPolarHBondContact O-CB 3.05Å; Q44-K48 PolarHBondContact O-N 3.13Å |
| 45 | E | 95.4 | Very high | 93.6 | Very high | 133 Ų | 133 | 110.1 Ų | 110.1 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.3 | -45.9 | 176.6 | -175.3 | 165.1 | -145.6 | 0 | 0 | 111.5 | R41 I42 A47 K48 E49 | R41-E45 PolarHBondContact O-N 3.46Å; I42-E45 WeakPolarHBondContact O-CB 3.44Å; I42-E45 PolarHBondContact O-N 2.9Å; I42-E45 VanDerWaalsContact O-N 3.08Å; E45-A47 PolarHBondContact O-N 3.47Å; E45-K48 WeakPolarHBondContact O-CB 3.36Å; E45-K48 PolarHBondContact O-N 3.03Å; E45-K48 VanDerWaalsContact O-N 3.13Å; E45-E49 PolarHBondContact O-N 3.05Å |
| 46 | E | 95.4 | Very high | 93.8 | Very high | 110 Ų | 110 | 110.1 Ų | 110.1 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 174 | -73.1 | 175.1 | 168.1 | 0 | 0 | 111.7 | I42 K48 E49 Q50 | I42-E46 HydrophobicContact CG2-CG 4.21Å; I42-E46 WeakPolarHBondContact O-CG 3.44Å; I42-E46 PolarHBondContact O-N 2.9Å; E46-K48 VanDerWaalsContact C-N 3.28Å; E46-K48 PolarHBondContact O-N 3.42Å; E46-E49 PolarHBondContact O-N 3.49Å; E46-Q50 WeakPolarHBondContact O-CB 3.39Å; E46-Q50 WeakPolarHBondContact O-CG 3.35Å; E46-Q50 PolarHBondContact O-N 2.8Å |
| 47 | A | 94.6 | Very high | 94.2 | Very high | 55 Ų | 55 | 113.6 Ų | 113.6 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R43 E45 R51 | R43-A47 WeakPolarHBondContact O-CB 3.46Å; R43-A47 PolarHBondContact O-N 2.81Å; E45-A47 PolarHBondContact O-N 3.47Å; A47-R51 PolarHBondContact O-N 2.95Å |
| 48 | K | 96.8 | Very high | 94.3 | Very high | 160 Ų | 160 | 112.9 Ų | 112.9 | 70% | 0.696 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.1 | -45.3 | 175.6 | -177.4 | -173.4 | 173.4 | -168.7 | 0 | 111.2 | Q44 E45 E46 R51 R52 | Q44-K48 WeakPolarHBondContact O-CB 3.05Å; Q44-K48 PolarHBondContact O-N 3.13Å; E45-K48 WeakPolarHBondContact O-CB 3.36Å; E45-K48 PolarHBondContact O-N 3.03Å; E45-K48 VanDerWaalsContact O-N 3.13Å; E46-K48 VanDerWaalsContact C-N 3.28Å; E46-K48 PolarHBondContact O-N 3.42Å; K48-R51 WeakPolarHBondContact O-CB 3.4Å; K48-R51 PolarHBondContact O-N 2.83Å; K48-R52 PolarHBondContact O-N 3.41Å; K48-R52 VanDerWaalsContact O-N 3.08Å |
| 49 | E | 94.9 | Very high | 94 | Very high | 91 Ų | 91 | 114.8 Ų | 114.8 | 43% | 0.425 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | -179.6 | -173.5 | 54.8 | -149.7 | 0 | 0 | 111.5 | E45 E46 R51 R52 L53 | E45-E49 PolarHBondContact O-N 3.05Å; E46-E49 PolarHBondContact O-N 3.49Å; E49-R51 VanDerWaalsContact C-N 3.27Å; E49-R51 PolarHBondContact O-N 3.05Å; E49-R52 WeakPolarHBondContact O-CB 3.44Å; E49-R52 PolarHBondContact O-N 3.22Å; E49-R52 VanDerWaalsContact O-N 3.09Å; E49-R52 IonicContact OE2-NH1 3.97Å; E49-L53 WeakPolarHBondContact O-CB 3.28Å; E49-L53 PolarHBondContact O-N 3.26Å |
| 50 | Q | 94.7 | Very high | 94 | Very high | 142 Ų | 142 | 118.4 Ų | 118.4 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -56.6 | -42 | 172.7 | -77.9 | -175.4 | -7.1 | 0 | 0 | 112.1 | E46 L53 M54 | E46-Q50 WeakPolarHBondContact O-CB 3.39Å; E46-Q50 WeakPolarHBondContact O-CG 3.35Å; E46-Q50 PolarHBondContact O-N 2.8Å; Q50-L53 PolarHBondContact O-N 2.82Å; Q50-M54 WeakPolarHBondContact O-CB 3.39Å; Q50-M54 PolarHBondContact O-N 3.38Å |
| 51 | R | 93.5 | Very high | 93.8 | Very high | 173 Ų | 173 | 118 Ų | 118 | 65% | 0.653 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 175.4 | -179 | -176.3 | -65.3 | 176.6 | -0.8 | 111.6 | A47 K48 E49 L53 M54 Q55 | A47-R51 PolarHBondContact O-N 2.95Å; K48-R51 WeakPolarHBondContact O-CB 3.4Å; K48-R51 PolarHBondContact O-N 2.83Å; E49-R51 VanDerWaalsContact C-N 3.27Å; E49-R51 PolarHBondContact O-N 3.05Å; R51-L53 VanDerWaalsContact C-N 3.35Å; R51-M54 PolarHBondContact O-N 3.31Å; R51-Q55 WeakPolarHBondContact O-CG 3.42Å; R51-Q55 PolarHBondContact O-N 2.91Å |
| 52 | R | 94.4 | Very high | 93.5 | Very high | 149 Ų | 149 | 114.4 Ų | 114.4 | 56% | 0.562 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.6 | -46.1 | 178.4 | -176.5 | -168.8 | 177.4 | 178.4 | -1.3 | 111 | K48 E49 M54 Q55 M56 | K48-R52 PolarHBondContact O-N 3.41Å; K48-R52 VanDerWaalsContact O-N 3.08Å; E49-R52 WeakPolarHBondContact O-CB 3.44Å; E49-R52 PolarHBondContact O-N 3.22Å; E49-R52 VanDerWaalsContact O-N 3.09Å; E49-R52 IonicContact OE2-NH1 3.97Å; R52-M54 VanDerWaalsContact C-N 3.3Å; R52-M54 PolarHBondContact O-N 3.34Å; R52-Q55 PolarHBondContact O-N 2.96Å; R52-M56 PolarHBondContact O-N 3.31Å |
| 53 | L | 95.2 | Very high | 92.9 | Very high | 104 Ų | 104 | 116.2 Ų | 116.2 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.7 | -39.2 | 179.4 | -170.3 | 65.1 | 0 | 0 | 0 | 111.5 | E49 Q50 R51 M56 K57 | E49-L53 WeakPolarHBondContact O-CB 3.28Å; E49-L53 PolarHBondContact O-N 3.26Å; Q50-L53 PolarHBondContact O-N 2.82Å; R51-L53 VanDerWaalsContact C-N 3.35Å; L53-M56 PolarHBondContact O-N 3.23Å; L53-K57 WeakPolarHBondContact O-CB 3.41Å; L53-K57 PolarHBondContact O-N 3.08Å |
| 54 | M | 94.1 | Very high | 92.7 | Very high | 128 Ų | 128 | 115.3 Ų | 115.3 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.9 | -41.6 | 175.6 | -163.3 | 178.4 | 91.4 | 0 | 0 | 112 | Q50 R51 R52 K57 V58 | Q50-M54 WeakPolarHBondContact O-CB 3.39Å; Q50-M54 PolarHBondContact O-N 3.38Å; R51-M54 PolarHBondContact O-N 3.31Å; R52-M54 VanDerWaalsContact C-N 3.3Å; R52-M54 PolarHBondContact O-N 3.34Å; M54-K57 PolarHBondContact O-N 2.97Å; M54-V58 WeakPolarHBondContact O-CG2 3.46Å; M54-V58 PolarHBondContact O-N 3.26Å |
| 55 | Q | 92.5 | Very high | 92.1 | Very high | 112 Ų | 112 | 112.6 Ų | 112.6 | 52% | 0.523 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.1 | -48.4 | 175.3 | -73.5 | 175.9 | -17.5 | 0 | 0 | 111.6 | R51 R52 K57 V58 E59 | R51-Q55 WeakPolarHBondContact O-CG 3.42Å; R51-Q55 PolarHBondContact O-N 2.91Å; R52-Q55 PolarHBondContact O-N 2.96Å; Q55-K57 VanDerWaalsContact C-N 3.26Å; Q55-K57 PolarHBondContact O-N 3.12Å; Q55-V58 PolarHBondContact O-N 2.84Å; Q55-V58 VanDerWaalsContact O-N 3.1Å; Q55-E59 WeakPolarHBondContact O-CG 3.41Å; Q55-E59 PolarHBondContact O-N 2.96Å |
| 56 | M | 91.9 | Very high | 91.2 | Very high | 92 Ų | 92 | 111.3 Ų | 111.3 | 45% | 0.453 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 177.2 | -170 | -168.1 | -48.2 | 0 | 0 | 111.9 | R52 L53 E59 H60 | R52-M56 PolarHBondContact O-N 3.31Å; L53-M56 PolarHBondContact O-N 3.23Å; M56-E59 PolarHBondContact O-N 2.92Å; M56-H60 WeakPolarHBondContact O-CB 3.33Å; M56-H60 PolarHBondContact O-N 2.95Å |
| 57 | K | 94.1 | Very high | 90.4 | Very high | 134 Ų | 134 | 109.7 Ų | 109.7 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.9 | -44.5 | 175.3 | -175.8 | -179 | 176.5 | -174 | 0 | 111.7 | L53 M54 Q55 E59 H60 D61 | L53-K57 WeakPolarHBondContact O-CB 3.41Å; L53-K57 PolarHBondContact O-N 3.08Å; M54-K57 PolarHBondContact O-N 2.97Å; Q55-K57 VanDerWaalsContact C-N 3.26Å; Q55-K57 PolarHBondContact O-N 3.12Å; K57-E59 VanDerWaalsContact C-N 3.33Å; K57-E59 PolarHBondContact O-N 3.41Å; K57-H60 PolarHBondContact O-N 3.37Å; K57-D61 WeakPolarHBondContact O-CB 3.49Å; K57-D61 VanDerWaalsContact O-CG 3.3Å; K57-D61 PolarHBondContact O-N 2.7Å |
| 58 | V | 91.9 | Very high | 89.6 | Confident | 92 Ų | 92 | 109.7 Ų | 109.7 | 56% | 0.558 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 111 | M54 Q55 D61 A62 | M54-V58 WeakPolarHBondContact O-CG2 3.46Å; M54-V58 PolarHBondContact O-N 3.26Å; Q55-V58 PolarHBondContact O-N 2.84Å; Q55-V58 VanDerWaalsContact O-N 3.1Å; V58-D61 PolarHBondContact O-N 2.8Å; V58-A62 WeakPolarHBondContact O-CB 3.36Å; V58-A62 PolarHBondContact O-N 2.94Å |
| 59 | E | 87.9 | Confident | 88.4 | Confident | 127 Ų | 127 | 104.4 Ų | 104.4 | 59% | 0.593 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 175.8 | -70 | 172 | -173.3 | 0 | 0 | 111.7 | Q55 M56 K57 A62 L63 | Q55-E59 WeakPolarHBondContact O-CG 3.41Å; Q55-E59 PolarHBondContact O-N 2.96Å; M56-E59 PolarHBondContact O-N 2.92Å; K57-E59 VanDerWaalsContact C-N 3.33Å; K57-E59 PolarHBondContact O-N 3.41Å; E59-A62 PolarHBondContact O-N 3.26Å; E59-L63 WeakPolarHBondContact O-CG 3.43Å; E59-L63 PolarHBondContact O-N 2.75Å |
| 60 | H | 92.5 | Very high | 87.2 | Confident | 119 Ų | 119 | 105.1 Ų | 105.1 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | 177.6 | -179.2 | -83.9 | 0 | 0 | 0 | 112.4 | M56 K57 A62 L63 K64 | M56-H60 WeakPolarHBondContact O-CB 3.33Å; M56-H60 PolarHBondContact O-N 2.95Å; K57-H60 PolarHBondContact O-N 3.37Å; H60-A62 VanDerWaalsContact C-N 3.31Å; H60-A62 PolarHBondContact O-N 3.04Å; H60-L63 PolarHBondContact O-N 2.83Å; H60-K64 WeakPolarHBondContact O-CB 3.33Å; H60-K64 PolarHBondContact O-N 3.08Å |
| 61 | D | 89.8 | Confident | 86 | Confident | 79 Ų | 79 | 104.9 Ų | 104.9 | 42% | 0.422 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -35.9 | 178 | -73 | -18.6 | 0 | 0 | 0 | 111.4 | K57 V58 K64 A65 | K57-D61 WeakPolarHBondContact O-CB 3.49Å; K57-D61 VanDerWaalsContact O-CG 3.3Å; K57-D61 PolarHBondContact O-N 2.7Å; V58-D61 PolarHBondContact O-N 2.8Å; D61-K64 PolarHBondContact O-N 2.97Å; D61-A65 PolarHBondContact O-N 3.13Å |
| 62 | A | 86.8 | Confident | 84.5 | Confident | 51 Ų | 51 | 103.3 Ų | 103.3 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V58 E59 H60 K64 A65 D66 | V58-A62 WeakPolarHBondContact O-CB 3.36Å; V58-A62 PolarHBondContact O-N 2.94Å; E59-A62 PolarHBondContact O-N 3.26Å; H60-A62 VanDerWaalsContact C-N 3.31Å; H60-A62 PolarHBondContact O-N 3.04Å; A62-K64 VanDerWaalsContact C-N 3.28Å; A62-K64 PolarHBondContact O-N 3.43Å; A62-A65 WeakPolarHBondContact O-CB 3.4Å; A62-A65 PolarHBondContact O-N 3.03Å; A62-A65 VanDerWaalsContact O-N 3.1Å; A62-D66 PolarHBondContact O-N 3.36Å |
| 63 | L | 84.7 | Confident | 82.8 | Confident | 110 Ų | 110 | 106.5 Ų | 106.5 | 58% | 0.576 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.1 | -39.3 | 176.3 | -70.6 | 172.9 | 0 | 0 | 0 | 112 | E59 H60 A65 D66 V67 | E59-L63 WeakPolarHBondContact O-CG 3.43Å; E59-L63 PolarHBondContact O-N 2.75Å; H60-L63 PolarHBondContact O-N 2.83Å; L63-A65 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 2.84Å; L63-D66 PolarHBondContact O-N 2.98Å; L63-V67 VanDerWaalsContact O-CG2 3.31Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V67 PolarHBondContact O-N 3.48Å |
| 64 | K | 89.2 | Confident | 81 | Confident | 140 Ų | 140 | 107.6 Ų | 107.6 | 61% | 0.609 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.4 | -39 | 175.8 | -174.4 | 179.6 | 174.6 | -177 | 0 | 112 | H60 D61 A62 A68 | H60-K64 WeakPolarHBondContact O-CB 3.33Å; H60-K64 PolarHBondContact O-N 3.08Å; D61-K64 PolarHBondContact O-N 2.97Å; A62-K64 VanDerWaalsContact C-N 3.28Å; A62-K64 PolarHBondContact O-N 3.43Å; K64-A68 WeakPolarHBondContact O-CB 3.49Å; K64-A68 PolarHBondContact O-N 3.08Å |
| 65 | A | 83 | Confident | 79.1 | Confident | 63 Ų | 63 | 108.2 Ų | 108.2 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.1 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D61 A62 L63 A68 G69 | D61-A65 PolarHBondContact O-N 3.13Å; A62-A65 WeakPolarHBondContact O-CB 3.4Å; A62-A65 PolarHBondContact O-N 3.03Å; A62-A65 VanDerWaalsContact O-N 3.1Å; L63-A65 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 2.84Å; A65-A68 PolarHBondContact O-N 2.99Å; A65-G69 PolarHBondContact O-N 3.03Å |
| 66 | D | 77.8 | Confident | 77.6 | Confident | 106 Ų | 106 | 107.8 Ų | 107.8 | 57% | 0.567 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.3 | -43.1 | 177 | -68.7 | -21.7 | 0 | 0 | 0 | 111.9 | A62 L63 G69 L70 | A62-D66 PolarHBondContact O-N 3.36Å; L63-D66 PolarHBondContact O-N 2.98Å; D66-G69 PolarHBondContact O-N 3.3Å; D66-L70 WeakPolarHBondContact O-CG 3.43Å; D66-L70 PolarHBondContact O-N 3.28Å; D66-L70 VanDerWaalsContact O-N 3.07Å |
| 67 | V | 78.4 | Confident | 75.9 | Confident | 77 Ų | 77 | 109 Ų | 109 | 47% | 0.467 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.6 | -46.9 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L63 G69 L70 E71 | L63-V67 VanDerWaalsContact O-CG2 3.31Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V67 PolarHBondContact O-N 3.48Å; V67-G69 VanDerWaalsContact C-N 3.28Å; V67-G69 PolarHBondContact O-N 2.85Å; V67-L70 PolarHBondContact O-N 3.36Å; V67-L70 VanDerWaalsContact O-N 3.09Å; V67-E71 PolarHBondContact O-N 3.42Å |
| 68 | A | 77.8 | Confident | 74.3 | Confident | 55 Ų | 55 | 108.8 Ų | 108.8 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.1 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | K64 A65 L70 E71 L72 | K64-A68 WeakPolarHBondContact O-CB 3.49Å; K64-A68 PolarHBondContact O-N 3.08Å; A65-A68 PolarHBondContact O-N 2.99Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.33Å; A68-E71 PolarHBondContact O-N 3.44Å; A68-L72 PolarHBondContact O-N 3.31Å |
| 69 | G | 72.1 | Confident | 72.9 | Confident | 48 Ų | 48 | 112 Ų | 112 | 50% | 0.495 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.2 | -32.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A65 D66 V67 | A65-G69 PolarHBondContact O-N 3.03Å; D66-G69 PolarHBondContact O-N 3.3Å; V67-G69 VanDerWaalsContact C-N 3.28Å; V67-G69 PolarHBondContact O-N 2.85Å |
| 70 | L | 69.9 | Low | 71.6 | Confident | 106 Ų | 106 | 111.1 Ų | 111.1 | 56% | 0.555 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.7 | -36.9 | 176.7 | -74.1 | 165.1 | 0 | 0 | 0 | 112.8 | D66 V67 A68 L72 R73 N74 | D66-L70 WeakPolarHBondContact O-CG 3.43Å; D66-L70 PolarHBondContact O-N 3.28Å; D66-L70 VanDerWaalsContact O-N 3.07Å; V67-L70 PolarHBondContact O-N 3.36Å; V67-L70 VanDerWaalsContact O-N 3.09Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.33Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-R73 PolarHBondContact O-N 3.06Å; L70-N74 PolarHBondContact O-N 2.98Å; L70-N74 PolarHBondContact O-ND2 3.21Å |
| 71 | E | 69.3 | Low | 70 | Confident | 138 Ų | 138 | 111.6 Ų | 111.6 | 65% | 0.645 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.7 | -38.5 | 174.7 | -71.8 | -174.8 | 166.9 | 0 | 0 | 111.9 | V67 A68 R73 N74 | V67-E71 PolarHBondContact O-N 3.42Å; A68-E71 PolarHBondContact O-N 3.44Å; E71-R73 VanDerWaalsContact C-N 3.26Å; E71-R73 PolarHBondContact O-N 2.86Å; E71-N74 PolarHBondContact O-N 3.09Å |
| 72 | L | 60.2 | Low | 68.7 | Low | 139 Ų | 139 | 114.8 Ų | 114.8 | 73% | 0.728 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66 | -29.7 | 176.8 | -158.1 | 73.2 | 0 | 0 | 0 | 112.6 | A68 L70 | A68-L72 PolarHBondContact O-N 3.31Å; L70-L72 VanDerWaalsContact C-N 3.33Å |
| 73 | R | 58.9 | Low | 67.7 | Low | 216 Ų | 216 | 117.4 Ų | 117.4 | 82% | 0.815 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -80.3 | -19.3 | 177.7 | -176.2 | 166.5 | 169.6 | 170.3 | -4.2 | 113.3 | L70 E71 | L70-R73 PolarHBondContact O-N 3.06Å; E71-R73 VanDerWaalsContact C-N 3.26Å; E71-R73 PolarHBondContact O-N 2.86Å |
| 74 | N | 58.8 | Low | 66.7 | Low | 127 Ų | 127 | 118.2 Ų | 118.2 | 68% | 0.679 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 13.2 | -179.2 | -76 | -42.9 | 0 | 0 | 0 | 113.8 | L70 E71 P76 | L70-N74 PolarHBondContact O-N 2.98Å; L70-N74 PolarHBondContact O-ND2 3.21Å; E71-N74 PolarHBondContact O-N 3.09Å; N74-P76 VanDerWaalsContact O-CD 3.27Å; N74-P76 WeakPolarHBondContact O-CD 3.38Å |
| 75 | Q | 53.5 | Low | 65.3 | Low | 142 Ų | 142 | 119 Ų | 119 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 119.9 | 170.4 | -96.8 | -162.4 | -8.9 | 0 | 0 | 110.4 | ||
| 76 | P | 60.4 | Low | 64.2 | Low | 103 Ų | 103 | 121.1 Ų | 121.1 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 146.4 | 168.6 | 27.2 | -31.4 | 0 | 0 | 0 | 109.1 | N74 V78 | N74-P76 VanDerWaalsContact O-CD 3.27Å; N74-P76 WeakPolarHBondContact O-CD 3.38Å; P76-V78 PolarHBondContact O-N 3Å |
| 77 | P | 56.9 | Low | 63.1 | Low | 118 Ų | 118 | 122.2 Ų | 122.2 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 128.4 | 179.1 | 22.7 | -31.4 | 0 | 0 | 0 | 109.7 | Q79 | P77-Q79 PolarHBondContact O-N 3.42Š|
| 78 | V | 61 | Low | 61.5 | Low | 129 Ų | 129 | 124.4 Ų | 124.4 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | trans | -59.3 | 104.3 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | P76 | P76-V78 PolarHBondContact O-N 3Š| ||
| 79 | Q | 61.1 | Low | 59.9 | Low | 159 Ų | 159 | 129.6 Ų | 129.6 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 140.2 | 170.5 | -71.5 | -171.5 | 14.2 | 0 | 0 | 109.2 | P77 | P77-Q79 PolarHBondContact O-N 3.42Š|
| 80 | P | 61 | Low | 59.2 | Low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 148.5 | 178.9 | 24.7 | -32 | 0 | 0 | 0 | 111.3 | I82 | P80-I82 PolarHBondContact O-N 3.16Š|
| 81 | P | 58.7 | Low | 57.9 | Low | 129 Ų | 129 | 136.8 Ų | 136.8 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 117.8 | -172.7 | 27.5 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 82 | I | 63.3 | Low | 56.6 | Low | 146 Ų | 146 | 135.7 Ų | 135.7 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 131.3 | 168.9 | -58.7 | 167.9 | 0 | 0 | 0 | 107.2 | P80 | P80-I82 PolarHBondContact O-N 3.16Š|
| 83 | P | 64.8 | Low | 55.8 | Low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 145.4 | -178.8 | 26.8 | -33.3 | 0 | 0 | 0 | 111 | ||
| 84 | P | 64.6 | Low | 55.1 | Low | 127 Ų | 127 | 129.1 Ų | 129.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 129.7 | 179.1 | 30.2 | -31.4 | 0 | 0 | 0 | 110.6 | ||
| 85 | D | 60.7 | Low | 54.6 | Low | 156 Ų | 156 | 128.9 Ų | 128.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 147.3 | 166.2 | -88.6 | -33.3 | 0 | 0 | 0 | 110.9 | ||
| 86 | P | 59.3 | Low | 54 | Low | 108 Ų | 108 | 130.7 Ų | 130.7 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 155.5 | -176.5 | 29.4 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 87 | P | 53.6 | Low | 53.5 | Low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 136.3 | -171.4 | 32.2 | -32.9 | 0 | 0 | 0 | 110.9 | ||
| 88 | S | 44.7 | Very low | 53.2 | Low | 124 Ų | 124 | 134.1 Ų | 134.1 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -111.1 | 134.5 | 162.3 | -71.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 89 | D | 44.3 | Very low | 52.6 | Low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -69.4 | 172 | -169.9 | -99 | -29.2 | 0 | 0 | 0 | 115.6 | ||||
| 90 | P | 57.4 | Low | 52.5 | Low | 106 Ų | 106 | 133.7 Ų | 133.7 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | trans | -104.2 | 159 | -142.6 | 39.2 | -36.1 | 0 | 0 | 0 | 116.6 | ||||
| 91 | K | 44 | Very low | 52.7 | Low | 199 Ų | 199 | 134.1 Ų | 134.1 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | 135.1 | 129.4 | 152.1 | -80.4 | 174 | 175.4 | 176.6 | 0 | 110.2 | ||||
| 92 | S | 41.3 | Very low | 52.7 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | -155 | 154.1 | 56.2 | -65.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 93 | A | 44.6 | Very low | 52.2 | Low | 104 Ų | 104 | 133.6 Ų | 133.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -54 | 129.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 94 | S | 44.1 | Very low | 51.8 | Low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -127.2 | 117.3 | 150.7 | 177.8 | 0 | 0 | 0 | 0 | 106.6 | H96 | S94-H96 PolarHBondContact O-N 3.47Š| ||
| 95 | V | 47.2 | Very low | 51.4 | Low | 122 Ų | 122 | 134.7 Ų | 134.7 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | -70.6 | 112.6 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 107.3 | I97 | V95-I97 HydrophobicContact CG1-CD1 4.11Å; V95-I97 HydrophobicContact CG1-CG1 3.92Å | ||
| 96 | H | 41 | Very low | 51.2 | Low | 179 Ų | 179 | 132 Ų | 132 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -115 | 106.5 | 159.7 | -162.5 | -50.3 | 0 | 0 | 0 | 107.9 | S94 | S94-H96 PolarHBondContact O-N 3.47Š| ||
| 97 | I | 49.7 | Very low | 50.5 | Low | 131 Ų | 131 | 132.3 Ų | 132.3 | 67% | 0.672 | 79% | 0.785 | S | S | * | * | trans | -69.5 | 141.6 | 174 | -73.9 | 158.4 | 0 | 0 | 0 | 109 | V95 | V95-I97 HydrophobicContact CG1-CD1 4.11Å; V95-I97 HydrophobicContact CG1-CG1 3.92Å | ||
| 98 | E | 50.8 | Low | 50.2 | Low | 163 Ų | 163 | 131.1 Ų | 131.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 8.8 | 131.8 | 165.7 | -67.8 | -147 | 142.5 | 0 | 0 | 120.1 | ||||
| 99 | E | 49.5 | Very low | 50.7 | Low | 189 Ų | 189 | 130.7 Ų | 130.7 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | -155.3 | 122.9 | 111.1 | -146.9 | 169.5 | 146.8 | 0 | 0 | 109.5 | |||||
| 100 | S | 57.1 | Low | 51.2 | Low | 89 Ų | 89 | 129.1 Ų | 129.1 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 146.8 | 172.2 | -64.3 | 0 | 0 | 0 | 0 | 110 | ||
| 101 | P | 65.4 | Low | 50.7 | Low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -63 | 130.8 | 172 | 25.5 | -30.1 | 0 | 0 | 0 | 108.7 | M103 | P101-M103 PolarHBondContact O-N 3.35Š|
| 102 | P | 59.3 | Low | 51.4 | Low | 109 Ų | 109 | 124.7 Ų | 124.7 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -63 | 124.5 | 174.3 | 25.1 | -31.8 | 0 | 0 | 0 | 108.4 | S104 | P102-S104 VanDerWaalsContact C-N 3.27Å; P102-S104 PolarHBondContact O-N 2.97Å |
| 103 | M | 53.3 | Low | 51.9 | Low | 156 Ų | 156 | 126.3 Ų | 126.3 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | trans | -56.5 | 95.3 | 161.6 | -88.2 | -107.9 | 54.7 | 0 | 0 | 107.9 | P101 L105 | P101-M103 PolarHBondContact O-N 3.35Å; M103-L105 HydrophobicContact CE-CD2 4.46Å; M103-L105 PolarHBondContact O-N 3.1Å | ||
| 104 | S | 55.5 | Low | 52 | Low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -70.9 | 79.8 | 169.7 | -62.2 | 0 | 0 | 0 | 0 | 108.7 | P102 | P102-S104 VanDerWaalsContact C-N 3.27Å; P102-S104 PolarHBondContact O-N 2.97Å | ||
| 105 | L | 56.3 | Low | 52.5 | Low | 144 Ų | 144 | 130.3 Ų | 130.3 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | -80.6 | 134.1 | 156.6 | -66.9 | 174 | 0 | 0 | 0 | 107.5 | M103 | M103-L105 HydrophobicContact CE-CD2 4.46Å; M103-L105 PolarHBondContact O-N 3.1Å | ||
| 106 | A | 57.5 | Low | 51.9 | Low | 99 Ų | 99 | 132.7 Ų | 132.7 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 87.1 | 90.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 107 | S | 44.7 | Very low | 51.8 | Low | 115 Ų | 115 | 128.5 Ų | 128.5 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -128.6 | 81.4 | 138.3 | -139.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 108 | S | 47.8 | Very low | 51.5 | Low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -93 | 88.9 | 163.5 | -177.7 | 0 | 0 | 0 | 0 | 106.6 | I110 | S108-I110 PolarHBondContact O-N 3.31Š| ||
| 109 | T | 53.3 | Low | 51.6 | Low | 116 Ų | 116 | 125.7 Ų | 125.7 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | trans | -86 | 92.7 | 170.3 | -53.2 | 0 | 0 | 0 | 0 | 107.3 | P111 | T109-P111 WeakPolarHBondContact O-CD 3.41Š| ||
| 110 | I | 56.8 | Low | 51.2 | Low | 130 Ų | 130 | 125 Ų | 125 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | trans | -80.9 | 114.3 | 164.4 | -57.1 | 173.7 | 0 | 0 | 0 | 106.1 | S108 S112 | S108-I110 PolarHBondContact O-N 3.31Å; I110-S112 PolarHBondContact O-N 3.48Å; I110-S112 VanDerWaalsContact O-N 3.13Å | ||
| 111 | P | 46.9 | Very low | 50.2 | Low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -65 | 117.8 | 174.8 | 11.8 | -8.8 | 0 | 0 | 0 | 109.2 | T109 | T109-P111 WeakPolarHBondContact O-CD 3.41Š| ||
| 112 | S | 58.1 | Low | 48.8 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | -98.8 | 80.4 | 170.9 | -65.4 | 0 | 0 | 0 | 0 | 108.6 | I110 | I110-S112 PolarHBondContact O-N 3.48Å; I110-S112 VanDerWaalsContact O-N 3.13Å | ||
| 113 | D | 51.2 | Low | 47.8 | Very low | 149 Ų | 149 | 127 Ų | 127 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -120.5 | 87.1 | 161.1 | -79 | -40.5 | 0 | 0 | 0 | 106 | ||||
| 114 | I | 47.5 | Very low | 47.4 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | 62.3 | 98.3 | 88.9 | -65.9 | 175.2 | 0 | 0 | 0 | 111.4 | |||||
| 115 | I | 53.1 | Low | 46.5 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -45.9 | 128.6 | 159.8 | -58.9 | 177.4 | 0 | 0 | 0 | 110.8 | ||||
| 116 | Q | 35.5 | Very low | 45.9 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -140.8 | 106.8 | 152.2 | -102 | -179.2 | 17.4 | 0 | 0 | 111.1 | ||||
| 117 | S | 38.1 | Very low | 45.4 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | trans | 54.3 | 131.8 | 135.6 | 31.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 118 | T | 45.2 | Very low | 45.4 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | 176.2 | -175.5 | 25.1 | 17.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 119 | P | 51.8 | Low | 45.3 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | cis | -135.6 | 177.9 | -40.3 | 36.2 | -16.1 | 0 | 0 | 0 | 115.8 | ||||
| 120 | E | 40.3 | Very low | 45 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 80 | 133.6 | 160.3 | -47.7 | -144.5 | 147.4 | 0 | 0 | 118.6 | ||||
| 121 | T | 36.7 | Very low | 44.3 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | cis | -159.8 | 140.4 | 16.5 | -10.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 122 | G | 35.5 | Very low | 44.2 | Very low | 80 Ų | 80 | 140.6 Ų | 140.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | 145.7 | 108.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 123 | T | 38.8 | Very low | 43.7 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -81.3 | -179.2 | -178 | 43.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 124 | P | 45.2 | Very low | 43.3 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | -130.8 | 157.9 | -65.8 | 38 | -20.6 | 0 | 0 | 0 | 115.7 | |||||
| 125 | R | 36.9 | Very low | 43.6 | Very low | 236 Ų | 236 | 139.7 Ų | 139.7 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | 64.1 | 116.5 | 156.2 | -76.2 | -174.5 | 171 | 173.2 | -3.1 | 121.7 | ||||
| 126 | D | 43.9 | Very low | 43.4 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -170.7 | 158.8 | 87.8 | -118.1 | -5.9 | 0 | 0 | 0 | 112.1 | |||||
| 127 | P | 47.3 | Very low | 43.8 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -80.9 | 135.8 | -158.2 | 31 | -35.3 | 0 | 0 | 0 | 114.8 | K129 | P127-K129 PolarHBondContact O-N 2.84Å; P127-K129 VanDerWaalsContact O-N 3.16Å | ||
| 128 | V | 42.8 | Very low | 43.9 | Very low | 131 Ų | 131 | 141 Ų | 141 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -66.4 | 108.6 | 172.3 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | I130 | V128-I130 PolarHBondContact O-N 2.92Å; V128-I130 VanDerWaalsContact O-N 3.13Å | ||
| 129 | K | 46.2 | Very low | 43.5 | Very low | 194 Ų | 194 | 140 Ų | 140 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -70.7 | 102 | 164.7 | -83.5 | -179.9 | 177.3 | 176.2 | 0 | 108.5 | P127 S131 | P127-K129 PolarHBondContact O-N 2.84Å; P127-K129 VanDerWaalsContact O-N 3.16Å; K129-S131 PolarHBondContact O-N 3.01Å; K129-S131 VanDerWaalsContact O-N 3.07Å | ||
| 130 | I | 47.4 | Very low | 43.6 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -68.6 | 96.6 | 164.8 | -12.7 | 172.2 | 0 | 0 | 0 | 106.6 | V128 Q132 | V128-I130 PolarHBondContact O-N 2.92Å; V128-I130 VanDerWaalsContact O-N 3.13Å; I130-Q132 PolarHBondContact O-N 3.43Å | ||
| 131 | S | 41.7 | Very low | 43.4 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -72.3 | 95.1 | 172.5 | -75.5 | 0 | 0 | 0 | 0 | 108.8 | K129 T133 | K129-S131 PolarHBondContact O-N 3.01Å; K129-S131 VanDerWaalsContact O-N 3.07Å; S131-T133 PolarHBondContact O-N 2.92Å | ||
| 132 | Q | 45.4 | Very low | 43.8 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -55.7 | 118.9 | 163.8 | -70.2 | 177 | -16.7 | 0 | 0 | 108.8 | I130 S134 | I130-Q132 PolarHBondContact O-N 3.43Å; Q132-S134 VanDerWaalsContact C-N 3.32Å; Q132-S134 PolarHBondContact O-N 2.99Å | ||
| 133 | T | 46.4 | Very low | 43.8 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -71.6 | 92 | 170.2 | 51.9 | 0 | 0 | 0 | 0 | 108.5 | S131 T135 | S131-T133 PolarHBondContact O-N 2.92Å; T133-T135 PolarHBondContact O-N 3.4Å | ||
| 134 | S | 42.6 | Very low | 44 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -66.2 | 115 | 170.8 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | Q132 K136 | Q132-S134 VanDerWaalsContact C-N 3.32Å; Q132-S134 PolarHBondContact O-N 2.99Å; S134-K136 PolarHBondContact O-N 3.32Å | ||
| 135 | T | 54.3 | Low | 43.7 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -74.3 | 101.7 | 169.2 | 49.1 | 0 | 0 | 0 | 0 | 109.1 | T133 | T133-T135 PolarHBondContact O-N 3.4Š| ||
| 136 | K | 49.6 | Very low | 44.4 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 137.8 | 163.6 | -84.9 | -174.7 | 176.2 | -178 | 0 | 110 | S134 | S134-K136 PolarHBondContact O-N 3.32Š|
| 137 | P | 44.5 | Very low | 44.3 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 139.2 | 175 | 31.1 | -31.4 | 0 | 0 | 0 | 110.1 | ||
| 138 | V | 40.2 | Very low | 44.5 | Very low | 146 Ų | 146 | 145 Ų | 145 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 127.8 | 175.3 | 151.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 139 | S | 35.7 | Very low | 44.7 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -118.3 | 141.2 | 159.1 | -165.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 140 | P | 55.2 | Low | 44.8 | Very low | 109 Ų | 109 | 141 Ų | 141 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -93.4 | 119.4 | -167.4 | 33.5 | -25.4 | 0 | 0 | 0 | 109.8 | ||||
| 141 | E | 34 | Very low | 44.9 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -149.6 | 145.4 | 151.9 | -82.8 | -145.1 | 134.5 | 0 | 0 | 112.8 | ||||
| 142 | S | 46.9 | Very low | 45.2 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -48.3 | 132.1 | 177.4 | 49.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 143 | N | 34.4 | Very low | 45.6 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | -175 | 146.7 | 117.9 | -103.1 | -41.6 | 0 | 0 | 0 | 112.2 | V145 | N143-V145 PolarHBondContact O-N 3.07Š| |||
| 144 | S | 43.7 | Very low | 46 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -54.8 | 120.2 | 179.8 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 145 | V | 38.4 | Very low | 46.3 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -129.8 | 123.2 | 157.8 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | N143 E147 | N143-V145 PolarHBondContact O-N 3.07Å; V145-E147 HydrophobicContact CG1-CG 4.48Å; V145-E147 PolarHBondContact O-N 3Å | ||
| 146 | K | 51 | Low | 46.3 | Very low | 218 Ų | 218 | 142.3 Ų | 142.3 | 95% | 0.948 | 77% | 0.77 | S | S | * | * | trans | -62.5 | 97.1 | 167.6 | -78.8 | 174 | 173.4 | 175.7 | 0 | 107.8 | ||||
| 147 | E | 43.1 | Very low | 46.6 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -99.7 | 110.5 | 164.1 | -91.2 | -177 | 156.8 | 0 | 0 | 109 | V145 | V145-E147 HydrophobicContact CG1-CG 4.48Å; V145-E147 PolarHBondContact O-N 3Å | ||
| 148 | E | 51.1 | Low | 47.3 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -52.1 | 125.2 | 167.5 | -165.4 | 174.8 | -159.9 | 0 | 0 | 108.7 | T150 | E148-T150 PolarHBondContact O-N 3.13Š| ||
| 149 | P | 47.3 | Very low | 48 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | trans | -66.6 | 111.6 | -176.6 | 25.7 | -31.4 | 0 | 0 | 0 | 108.3 | I151 | P149-I151 PolarHBondContact O-N 3.38Š| ||
| 150 | T | 47.5 | Very low | 49.2 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -53.5 | 112.1 | 169.7 | -36.3 | 0 | 0 | 0 | 0 | 107.1 | E148 I152 | E148-T150 PolarHBondContact O-N 3.13Å; T150-I152 VanDerWaalsContact C-N 3.27Å; T150-I152 PolarHBondContact O-N 2.99Å | ||
| 151 | I | 50 | Low | 49.3 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -66.6 | 94.2 | 178.2 | -59.7 | 170.8 | 0 | 0 | 0 | 106.2 | P149 L153 | P149-I151 PolarHBondContact O-N 3.38Å; I151-L153 PolarHBondContact O-N 3.48Å | ||
| 152 | I | 48.3 | Very low | 50.3 | Low | 140 Ų | 140 | 144.8 Ų | 144.8 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | -62.6 | 105.2 | 167.2 | -61.9 | 169.7 | 0 | 0 | 0 | 104.9 | T150 K154 | T150-I152 VanDerWaalsContact C-N 3.27Å; T150-I152 PolarHBondContact O-N 2.99Å; I152-K154 PolarHBondContact O-N 3.1Å | ||
| 153 | L | 54.2 | Low | 50.9 | Low | 144 Ų | 144 | 143.1 Ų | 143.1 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | -64.7 | 85.2 | 175.7 | -155.2 | 82.6 | 0 | 0 | 0 | 107 | I151 D155 | I151-L153 PolarHBondContact O-N 3.48Å; L153-D155 PolarHBondContact O-N 3.05Å | ||
| 154 | K | 53.4 | Low | 51.6 | Low | 175 Ų | 175 | 143 Ų | 143 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | trans | -56.3 | 124.9 | 173 | -72.4 | 176.7 | 178.7 | 175.2 | 0 | 106.9 | I152 N156 | I152-K154 PolarHBondContact O-N 3.1Å; K154-N156 PolarHBondContact O-N 3.44Å | ||
| 155 | D | 49 | Very low | 52.4 | Low | 122 Ų | 122 | 139.8 Ų | 139.8 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | trans | -44.7 | 119 | 173.6 | -67.6 | -50 | 0 | 0 | 0 | 109.5 | L153 Y157 | L153-D155 PolarHBondContact O-N 3.05Å; D155-Y157 VanDerWaalsContact C-N 3.29Å; D155-Y157 HydrophobicContact CB-CD2 4.36Å; D155-Y157 HydrophobicContact CB-CE2 3.81Å; D155-Y157 WeakPolarHBondContact O-CD2 3.48Å; D155-Y157 PolarHBondContact O-N 3.44Å | ||
| 156 | N | 54.7 | Low | 53.5 | Low | 109 Ų | 109 | 144 Ų | 144 | 58% | 0.583 | 73% | 0.733 | S | S | * | * | trans | -70.5 | 83.6 | -174.2 | -74.6 | -70.6 | 0 | 0 | 0 | 109.5 | K154 F158 L159 | K154-N156 PolarHBondContact O-N 3.44Å; N156-F158 PolarHBondContact O-N 3.31Å; N156-L159 HydrophobicContact CB-CD1 3.58Å; N156-L159 HydrophobicContact CB-CG 4.13Å; N156-L159 PolarHBondContact O-N 3.01Å | ||
| 157 | Y | 56.8 | Low | 54.5 | Low | 204 Ų | 204 | 139.9 Ų | 139.9 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 17.3 | 172.5 | -68.6 | -80.4 | 0 | 0 | 0 | 113.9 | D155 | D155-Y157 VanDerWaalsContact C-N 3.29Å; D155-Y157 HydrophobicContact CB-CD2 4.36Å; D155-Y157 HydrophobicContact CB-CE2 3.81Å; D155-Y157 WeakPolarHBondContact O-CD2 3.48Å; D155-Y157 PolarHBondContact O-N 3.44Å |
| 158 | F | 58.1 | Low | 55.9 | Low | 199 Ų | 199 | 136.2 Ų | 136.2 | 87% | 0.873 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | 23.5 | -179 | -101.5 | -84 | 0 | 0 | 0 | 114.2 | N156 P160 | N156-F158 PolarHBondContact O-N 3.31Å; F158-P160 WeakPolarHBondContact O-CD 3.41Å |
| 159 | L | 55.5 | Low | 57.2 | Low | 129 Ų | 129 | 130.5 Ų | 130.5 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 119.1 | 162.4 | -81.3 | 149.6 | 0 | 0 | 0 | 108.2 | N156 | N156-L159 HydrophobicContact CB-CD1 3.58Å; N156-L159 HydrophobicContact CB-CG 4.13Å; N156-L159 PolarHBondContact O-N 3.01Å |
| 160 | P | 61.3 | Low | 58.5 | Low | 55 Ų | 55 | 134.5 Ų | 134.5 | 36% | 0.357 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 146.6 | 172 | 25 | -31.6 | 0 | 0 | 0 | 108.7 | F158 K162 | F158-P160 WeakPolarHBondContact O-CD 3.41Å; P160-K162 PolarHBondContact O-N 2.95Å |
| 161 | P | 56.6 | Low | 59.8 | Low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -52 | 135.9 | -175.3 | 18.4 | -29.7 | 0 | 0 | 0 | 110.2 | A163 | P161-A163 PolarHBondContact O-N 3.34Š|
| 162 | K | 56.1 | Low | 61 | Low | 219 Ų | 219 | 130.7 Ų | 130.7 | 95% | 0.952 | 65% | 0.649 | S | S | * | * | trans | -69.3 | 57.6 | 171.8 | -69.8 | -170.9 | 177.8 | 178.8 | 0 | 110.2 | P160 | P160-K162 PolarHBondContact O-N 2.95Š| ||
| 163 | A | 57.8 | Low | 62.5 | Low | 59 Ų | 59 | 130.1 Ų | 130.1 | 49% | 0.488 | 64% | 0.638 | S | S | . | * | trans | -91.5 | 147.2 | 163 | 0 | 0 | 0 | 0 | 0 | 107.9 | P161 G165 | P161-A163 PolarHBondContact O-N 3.34Å; A163-G165 PolarHBondContact O-N 2.92Å | ||
| 164 | P | 50.4 | Low | 63.5 | Low | 148 Ų | 148 | 127.6 Ų | 127.6 | 96% | 0.961 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -75.1 | 60.2 | 172.4 | 34.3 | -33.7 | 0 | 0 | 0 | 109 | ||
| 165 | G | 60.3 | Low | 64.7 | Low | 44 Ų | 44 | 124.3 Ų | 124.3 | 45% | 0.454 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -112.7 | 140.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | A163 Q167 | A163-G165 PolarHBondContact O-N 2.92Å; G165-Q167 PolarHBondContact O-N 3.34Å |
| 166 | R | 61.8 | Low | 65.9 | Low | 206 Ų | 206 | 121.6 Ų | 121.6 | 78% | 0.777 | 60% | 0.597 | S | S | * | * | trans | -43.5 | 113.2 | 178.7 | -115.5 | 178.9 | -174.9 | -122.8 | 2.2 | 110.7 | Y168 | R166-Y168 HydrophobicContact CB-CE1 4.48Å; R166-Y168 HydrophobicContact CB-CE2 3.97Å; R166-Y168 WeakPolarHBondContact O-CD2 3.38Å; R166-Y168 PolarHBondContact O-N 2.94Å | ||
| 167 | Q | 70.3 | Confident | 66.9 | Low | 132 Ų | 132 | 120.6 Ų | 120.6 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | trans | -72.9 | 90.9 | 174.9 | -67.4 | -89.1 | -33.4 | 0 | 0 | 108 | G165 | G165-Q167 PolarHBondContact O-N 3.34Š| ||
| 168 | Y | 73.4 | Confident | 67.7 | Low | 99 Ų | 99 | 115.7 Ų | 115.7 | 39% | 0.388 | 58% | 0.582 | S | S | . | * | trans | -70 | 135.1 | 172.5 | -65.7 | -72.7 | 0 | 0 | 0 | 109.8 | R166 Q172 | R166-Y168 HydrophobicContact CB-CE1 4.48Å; R166-Y168 HydrophobicContact CB-CE2 3.97Å; R166-Y168 WeakPolarHBondContact O-CD2 3.38Å; R166-Y168 PolarHBondContact O-N 2.94Å; Y168-Q172 HydrophobicContact CD1-CB 4.2Å; Y168-Q172 HydrophobicContact CG-CB 4.49Å | ||
| 169 | S | 77.8 | Confident | 68.2 | Low | 57 Ų | 57 | 111.4 Ų | 111.4 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | trans | -60 | 159.8 | 173.2 | 80 | 0 | 0 | 0 | 0 | 110.5 | I171 Q172 R173 | S169-I171 PolarHBondContact O-N 3.33Å; S169-I171 VanDerWaalsContact O-N 3.16Å; S169-Q172 WeakPolarHBondContact O-CB 3.5Å; S169-Q172 PolarHBondContact O-N 3.28Å; S169-Q172 WeakPolarHBondContact OG-CG 3.39Å; S169-Q172 PolarHBondContact OG-N 3.24Å; S169-R173 PolarHBondContact O-N 3.25Å | ||
| 170 | R | 74.6 | Confident | 68.5 | Low | 194 Ų | 194 | 111.7 Ų | 111.7 | 73% | 0.732 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -52.2 | -41.3 | 179.9 | -178.4 | 176.5 | 179.3 | 159.6 | -0.6 | 112.3 | R173 I174 | R170-R173 PolarHBondContact O-N 3.34Å; R170-I174 HydrophobicContact CG-CD1 4.25Å; R170-I174 WeakPolarHBondContact O-CG1 3.43Å; R170-I174 PolarHBondContact O-N 3.5Å |
| 171 | I | 75.9 | Confident | 68.5 | Low | 115 Ų | 115 | 118.8 Ų | 118.8 | 59% | 0.59 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.9 | -44.3 | 179.2 | -62 | 171.5 | 0 | 0 | 0 | 110.5 | S169 R173 I174 Q175 | S169-I171 PolarHBondContact O-N 3.33Å; S169-I171 VanDerWaalsContact O-N 3.16Å; I171-R173 VanDerWaalsContact C-N 3.32Å; I171-R173 PolarHBondContact O-N 3.21Å; I171-I174 PolarHBondContact O-N 3.48Å; I171-Q175 WeakPolarHBondContact O-CG 3.31Å; I171-Q175 PolarHBondContact O-N 3.07Å |
| 172 | Q | 75.8 | Confident | 68.5 | Low | 87 Ų | 87 | 119.1 Ų | 119.1 | 41% | 0.407 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.7 | -36.6 | 178 | -71.2 | 166.1 | -3.6 | 0 | 0 | 112.2 | Y168 S169 Q175 N176 | Y168-Q172 HydrophobicContact CD1-CB 4.2Å; Y168-Q172 HydrophobicContact CG-CB 4.49Å; S169-Q172 WeakPolarHBondContact O-CB 3.5Å; S169-Q172 PolarHBondContact O-N 3.28Å; S169-Q172 WeakPolarHBondContact OG-CG 3.39Å; S169-Q172 PolarHBondContact OG-N 3.24Å; Q172-Q175 PolarHBondContact O-N 3.09Å; Q172-N176 WeakPolarHBondContact O-CB 3.46Å; Q172-N176 VanDerWaalsContact O-CG 3.32Å; Q172-N176 PolarHBondContact O-N 2.98Å |
| 173 | R | 78.9 | Confident | 68.2 | Low | 128 Ų | 128 | 114.4 Ų | 114.4 | 48% | 0.483 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.4 | -44.3 | 174.5 | -69.1 | -167.3 | -66.2 | -137 | 2.7 | 112 | S169 R170 I171 N176 V177 | S169-R173 PolarHBondContact O-N 3.25Å; R170-R173 PolarHBondContact O-N 3.34Å; I171-R173 VanDerWaalsContact C-N 3.32Å; I171-R173 PolarHBondContact O-N 3.21Å; R173-N176 PolarHBondContact O-N 3.13Å; R173-V177 WeakPolarHBondContact O-CG2 3.44Å; R173-V177 PolarHBondContact O-N 3.23Å |
| 174 | I | 75.9 | Confident | 68.1 | Low | 91 Ų | 91 | 117 Ų | 117 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.4 | -46 | 178.6 | -66.5 | 166 | 0 | 0 | 0 | 110.1 | R170 I171 N176 V177 L178 | R170-I174 HydrophobicContact CG-CD1 4.25Å; R170-I174 WeakPolarHBondContact O-CG1 3.43Å; R170-I174 PolarHBondContact O-N 3.5Å; I171-I174 PolarHBondContact O-N 3.48Å; I174-N176 PolarHBondContact O-N 3.03Å; I174-V177 PolarHBondContact O-N 3.23Å; I174-L178 HydrophobicContact CG2-CD1 3.8Å; I174-L178 HydrophobicContact CG2-CG 4.42Å; I174-L178 VanDerWaalsContact O-CG 3.31Å; I174-L178 WeakPolarHBondContact O-CG 3.49Å; I174-L178 PolarHBondContact O-N 3.25Å |
| 175 | Q | 77.1 | Confident | 67.7 | Low | 105 Ų | 105 | 123.2 Ų | 123.2 | 49% | 0.491 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.8 | -41.2 | 178.3 | -73.7 | -177.1 | -15.7 | 0 | 0 | 112.6 | I171 Q172 V177 L178 N179 | I171-Q175 WeakPolarHBondContact O-CG 3.31Å; I171-Q175 PolarHBondContact O-N 3.07Å; Q172-Q175 PolarHBondContact O-N 3.09Å; Q175-V177 PolarHBondContact O-N 3.36Å; Q175-L178 PolarHBondContact O-N 3.25Å; Q175-N179 VanDerWaalsContact O-CB 3.31Å; Q175-N179 WeakPolarHBondContact O-CB 3.38Å; Q175-N179 PolarHBondContact O-N 3.34Å; Q175-N179 PolarHBondContact O-ND2 2.83Å |
| 176 | N | 74.4 | Confident | 68.1 | Low | 66 Ų | 66 | 127.2 Ų | 127.2 | 35% | 0.353 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.9 | -38.6 | 177.7 | -75.6 | -8.9 | 0 | 0 | 0 | 112.7 | Q172 R173 I174 N180 | Q172-N176 WeakPolarHBondContact O-CB 3.46Å; Q172-N176 VanDerWaalsContact O-CG 3.32Å; Q172-N176 PolarHBondContact O-N 2.98Å; R173-N176 PolarHBondContact O-N 3.13Å; I174-N176 PolarHBondContact O-N 3.03Å; N176-N180 WeakPolarHBondContact O-CB 3.27Å; N176-N180 VanDerWaalsContact O-CG 3.24Å; N176-N180 PolarHBondContact O-N 2.82Å; N176-N180 PolarHBondContact O-ND2 3.2Å |
| 177 | V | 76.4 | Confident | 68.5 | Low | 88 Ų | 88 | 123 Ų | 123 | 53% | 0.533 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.6 | -39.7 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | R173 I174 Q175 | R173-V177 WeakPolarHBondContact O-CG2 3.44Å; R173-V177 PolarHBondContact O-N 3.23Å; I174-V177 PolarHBondContact O-N 3.23Å; Q175-V177 PolarHBondContact O-N 3.36Å |
| 178 | L | 74.1 | Confident | 68.4 | Low | 101 Ų | 101 | 122.5 Ų | 122.5 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.7 | -42.4 | 178.1 | -68.3 | 171.5 | 0 | 0 | 0 | 111.8 | I174 Q175 R181 | I174-L178 HydrophobicContact CG2-CD1 3.8Å; I174-L178 HydrophobicContact CG2-CG 4.42Å; I174-L178 VanDerWaalsContact O-CG 3.31Å; I174-L178 WeakPolarHBondContact O-CG 3.49Å; I174-L178 PolarHBondContact O-N 3.25Å; Q175-L178 PolarHBondContact O-N 3.25Å; L178-R181 PolarHBondContact O-N 3.19Å |
| 179 | N | 66.8 | Low | 68.1 | Low | 108 Ų | 108 | 123.9 Ų | 123.9 | 58% | 0.578 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.9 | -37.3 | 179.1 | -72.7 | -11.3 | 0 | 0 | 0 | 112.2 | Q175 R181 V182 | Q175-N179 VanDerWaalsContact O-CB 3.31Å; Q175-N179 WeakPolarHBondContact O-CB 3.38Å; Q175-N179 PolarHBondContact O-N 3.34Å; Q175-N179 PolarHBondContact O-ND2 2.83Å; N179-R181 PolarHBondContact O-N 2.96Å; N179-V182 PolarHBondContact O-N 3.23Å |
| 180 | N | 63.3 | Low | 67.4 | Low | 136 Ų | 136 | 128.1 Ų | 128.1 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -11.9 | 177.5 | -73.5 | -16.6 | 0 | 0 | 0 | 114 | N176 | N176-N180 WeakPolarHBondContact O-CB 3.27Å; N176-N180 VanDerWaalsContact O-CG 3.24Å; N176-N180 PolarHBondContact O-N 2.82Å; N176-N180 PolarHBondContact O-ND2 3.2Å |
| 181 | R | 59.9 | Low | 67 | Low | 204 Ų | 204 | 123.7 Ų | 123.7 | 77% | 0.77 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -13.7 | 173.4 | -78.5 | -175.4 | 175.9 | -165.2 | -0.9 | 113.4 | L178 N179 V183 | L178-R181 PolarHBondContact O-N 3.19Å; N179-R181 PolarHBondContact O-N 2.96Å; R181-V183 PolarHBondContact O-N 3.35Å |
| 182 | V | 57.1 | Low | 66.3 | Low | 114 Ų | 114 | 124.3 Ų | 124.3 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | trans | -97.4 | 83.1 | 175.7 | -171.6 | 0 | 0 | 0 | 0 | 107.8 | N179 | N179-V182 PolarHBondContact O-N 3.23Š| ||
| 183 | V | 50.9 | Low | 65.6 | Low | 120 Ų | 120 | 127.2 Ų | 127.2 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | trans | -68.5 | 127.3 | 168.4 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | R181 | R181-V183 PolarHBondContact O-N 3.35Š| ||
| 184 | P | 54.7 | Low | 64.5 | Low | 114 Ų | 114 | 127.1 Ų | 127.1 | 74% | 0.74 | 65% | 0.651 | S | S | * | * | trans | -68.9 | 137.8 | 169.7 | 28.8 | -29.9 | 0 | 0 | 0 | 109 | ||||
| 185 | K | 43.1 | Very low | 63.5 | Low | 278 Ų | 278 | 130.4 Ų | 130.4 | 100% | 1.209 | 67% | 0.668 | S | S | * | * | trans | -59.7 | 0 | 172.2 | -76.7 | -180 | 175.2 | 177.3 | 0 | 111.8 |
Retrieved 185 of 185 residues in 38.8 ms
(Link to these results)