| 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 | 61.3 | Low | 76.1 | Confident | 193 Ų | 193 | 133 Ų | 133 | 95% | 0.951 | 60% | 0.599 | S | S | * | * | 0 | -66.9 | 0 | -67.2 | -63.9 | -83.7 | 0 | 0 | 111.9 | R3 Q4 E5 | M1-R3 PolarHBondContact O-N 3.31Å; M1-Q4 PolarHBondContact O-N 3.39Å; M1-Q4 VanDerWaalsContact O-N 3.16Å; M1-E5 PolarHBondContact O-N 2.96Å; M1-E5 VanDerWaalsContact O-N 3.1Å | |||
| 2 | Q | 70.1 | Confident | 76.7 | Confident | 110 Ų | 110 | 125.3 Ų | 125.3 | 51% | 0.514 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61 | -34.1 | -172.2 | -154.9 | 159.6 | 41.5 | 0 | 0 | 115.8 | E5 N6 L102 | Q2-E5 PolarHBondContact O-N 3.42Å; Q2-N6 WeakPolarHBondContact O-CB 3.39Å; Q2-N6 VanDerWaalsContact O-CG 3.31Å; Q2-N6 PolarHBondContact O-N 2.76Å; Q2-L102 VanDerWaalsContact CD-CD1 3.48Å; Q2-L102 HydrophobicContact CG-CD1 4.39Å |
| 3 | R | 72.8 | Confident | 76.3 | Confident | 221 Ų | 221 | 124.6 Ų | 124.6 | 83% | 0.834 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.8 | -39.4 | 177.4 | -142.8 | -177.6 | -166.6 | -172.9 | 4 | 112.7 | M1 Q7 | M1-R3 PolarHBondContact O-N 3.31Å; R3-Q7 PolarHBondContact O-N 3.1Å |
| 4 | Q | 75.8 | Confident | 75.9 | Confident | 119 Ų | 119 | 123.4 Ų | 123.4 | 56% | 0.556 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.6 | -38.4 | 175.7 | -85.1 | 177.8 | -14.5 | 0 | 0 | 111.6 | M1 Q7 R8 | M1-Q4 PolarHBondContact O-N 3.39Å; M1-Q4 VanDerWaalsContact O-N 3.16Å; Q4-Q7 PolarHBondContact O-N 3.41Å; Q4-R8 WeakPolarHBondContact O-CG 3.39Å; Q4-R8 PolarHBondContact O-N 3.25Å |
| 5 | E | 77.7 | Confident | 76.1 | Confident | 112 Ų | 112 | 121.9 Ų | 121.9 | 52% | 0.523 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.3 | -46.5 | 174.9 | -160 | 70.5 | -161.9 | 0 | 0 | 111.2 | M1 Q2 Q7 R8 R9 | M1-E5 PolarHBondContact O-N 2.96Å; M1-E5 VanDerWaalsContact O-N 3.1Å; Q2-E5 PolarHBondContact O-N 3.42Å; E5-Q7 VanDerWaalsContact C-N 3.33Å; E5-Q7 PolarHBondContact O-N 3.13Å; E5-R8 PolarHBondContact O-N 3.05Å; E5-R9 WeakPolarHBondContact O-CB 3.44Å; E5-R9 PolarHBondContact O-N 2.99Å |
| 6 | N | 78.6 | Confident | 76.1 | Confident | 81 Ų | 81 | 118.9 Ų | 118.9 | 43% | 0.433 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.2 | -40.4 | 175.8 | -74.9 | -11.2 | 0 | 0 | 0 | 112 | Q2 R9 I10 | Q2-N6 WeakPolarHBondContact O-CB 3.39Å; Q2-N6 VanDerWaalsContact O-CG 3.31Å; Q2-N6 PolarHBondContact O-N 2.76Å; N6-R9 PolarHBondContact O-N 3.32Å; N6-I10 VanDerWaalsContact O-CG1 3.29Å; N6-I10 WeakPolarHBondContact O-CG1 3.26Å; N6-I10 PolarHBondContact O-N 3.38Å |
| 7 | Q | 79.3 | Confident | 75.6 | Confident | 129 Ų | 129 | 117.6 Ų | 117.6 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.6 | -46 | 176.5 | -120.8 | 171.3 | -20.3 | 0 | 0 | 111.8 | R3 Q4 E5 R9 I10 V11 | R3-Q7 PolarHBondContact O-N 3.1Å; Q4-Q7 PolarHBondContact O-N 3.41Å; E5-Q7 VanDerWaalsContact C-N 3.33Å; E5-Q7 PolarHBondContact O-N 3.13Å; Q7-R9 VanDerWaalsContact C-N 3.27Å; Q7-R9 PolarHBondContact O-N 2.87Å; Q7-I10 PolarHBondContact O-N 3.15Å; Q7-V11 WeakPolarHBondContact O-CG2 3.41Å; Q7-V11 PolarHBondContact O-N 2.98Å |
| 8 | R | 82.1 | Confident | 75.1 | Confident | 179 Ų | 179 | 116.8 Ų | 116.8 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.7 | -39.7 | 175.2 | -74.5 | 177.3 | 178.6 | 167.4 | -1.7 | 111.9 | Q4 E5 V11 G12 | Q4-R8 WeakPolarHBondContact O-CG 3.39Å; Q4-R8 PolarHBondContact O-N 3.25Å; E5-R8 PolarHBondContact O-N 3.05Å; R8-V11 PolarHBondContact O-N 3.29Å; R8-G12 PolarHBondContact O-N 3.03Å |
| 9 | R | 76.6 | Confident | 74.9 | Confident | 148 Ų | 148 | 117.2 Ų | 117.2 | 56% | 0.558 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.6 | -42.4 | 179.1 | -146.5 | 176 | -164.5 | 177.9 | 4.5 | 112.4 | E5 N6 Q7 G12 L13 | E5-R9 WeakPolarHBondContact O-CB 3.44Å; E5-R9 PolarHBondContact O-N 2.99Å; N6-R9 PolarHBondContact O-N 3.32Å; Q7-R9 VanDerWaalsContact C-N 3.27Å; Q7-R9 PolarHBondContact O-N 2.87Å; R9-G12 PolarHBondContact O-N 3.23Å; R9-L13 WeakPolarHBondContact O-CG 3.46Å; R9-L13 PolarHBondContact O-N 3.28Å |
| 10 | I | 79.3 | Confident | 74.4 | Confident | 98 Ų | 98 | 114.3 Ų | 114.3 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.6 | -70.1 | 164.3 | 0 | 0 | 0 | 110.6 | N6 Q7 G12 L13 Q14 | N6-I10 VanDerWaalsContact O-CG1 3.29Å; N6-I10 WeakPolarHBondContact O-CG1 3.26Å; N6-I10 PolarHBondContact O-N 3.38Å; Q7-I10 PolarHBondContact O-N 3.15Å; I10-G12 PolarHBondContact O-N 2.78Å; I10-L13 PolarHBondContact O-N 3.39Å; I10-Q14 WeakPolarHBondContact O-CG 3.49Å; I10-Q14 PolarHBondContact O-N 2.99Å |
| 11 | V | 83.6 | Confident | 73.6 | Confident | 73 Ų | 73 | 113.8 Ų | 113.8 | 44% | 0.442 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 178.2 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | Q7 R8 L13 Q14 D15 | Q7-V11 WeakPolarHBondContact O-CG2 3.41Å; Q7-V11 PolarHBondContact O-N 2.98Å; R8-V11 PolarHBondContact O-N 3.29Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 2.71Å; V11-Q14 PolarHBondContact O-N 3.34Å; V11-D15 PolarHBondContact O-N 3.09Å |
| 12 | G | 83.1 | Confident | 74 | Confident | 40 Ų | 40 | 112.2 Ų | 112.2 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R8 R9 I10 N16 | R8-G12 PolarHBondContact O-N 3.03Å; R9-G12 PolarHBondContact O-N 3.23Å; I10-G12 PolarHBondContact O-N 2.78Å; G12-N16 WeakPolarHBondContact O-CB 3.48Å; G12-N16 PolarHBondContact O-N 3.44Å; G12-N16 VanDerWaalsContact O-N 3.09Å |
| 13 | L | 71.4 | Confident | 73.7 | Confident | 117 Ų | 117 | 110 Ų | 110 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 174.1 | -74.1 | 168.2 | 0 | 0 | 0 | 111.8 | R9 I10 V11 N16 L17 | R9-L13 WeakPolarHBondContact O-CG 3.46Å; R9-L13 PolarHBondContact O-N 3.28Å; I10-L13 PolarHBondContact O-N 3.39Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 2.71Å; L13-N16 PolarHBondContact O-N 3.47Å; L13-L17 VanDerWaalsContact O-CB 3.3Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 3.04Å |
| 14 | Q | 71.8 | Confident | 73 | Confident | 107 Ų | 107 | 103.9 Ų | 103.9 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.7 | -78.1 | -178 | -45 | 0 | 0 | 112 | I10 V11 N16 L17 H18 | I10-Q14 WeakPolarHBondContact O-CG 3.49Å; I10-Q14 PolarHBondContact O-N 2.99Å; V11-Q14 PolarHBondContact O-N 3.34Å; Q14-N16 VanDerWaalsContact C-N 3.34Å; Q14-N16 PolarHBondContact O-N 3.29Å; Q14-L17 PolarHBondContact O-N 3.41Å; Q14-H18 WeakPolarHBondContact O-CB 3.47Å; Q14-H18 VanDerWaalsContact O-CG 3.3Å; Q14-H18 PolarHBondContact O-N 3.3Å; Q14-H18 PolarHBondContact O-ND1 3.26Å |
| 15 | D | 78.5 | Confident | 72.3 | Confident | 102 Ų | 102 | 106.9 Ų | 106.9 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 177.7 | -74.6 | -19.2 | 0 | 0 | 0 | 111.5 | V11 H18 K19 | V11-D15 PolarHBondContact O-N 3.09Å; D15-H18 PolarHBondContact O-N 3.17Å; D15-K19 WeakPolarHBondContact O-CB 3.42Å; D15-K19 PolarHBondContact O-N 2.95Å |
| 16 | N | 75.2 | Confident | 71.8 | Confident | 74 Ų | 74 | 107 Ų | 107 | 40% | 0.396 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 176.6 | -161.3 | 41.2 | 0 | 0 | 0 | 111.6 | G12 L13 Q14 H18 K19 V20 | G12-N16 WeakPolarHBondContact O-CB 3.48Å; G12-N16 PolarHBondContact O-N 3.44Å; G12-N16 VanDerWaalsContact O-N 3.09Å; L13-N16 PolarHBondContact O-N 3.47Å; Q14-N16 VanDerWaalsContact C-N 3.34Å; Q14-N16 PolarHBondContact O-N 3.29Å; N16-H18 PolarHBondContact O-N 2.8Å; N16-K19 WeakPolarHBondContact O-CB 3.26Å; N16-K19 PolarHBondContact O-N 3.33Å; N16-V20 WeakPolarHBondContact O-CG2 3.5Å; N16-V20 PolarHBondContact O-N 2.91Å |
| 17 | L | 68.7 | Low | 70.9 | Confident | 96 Ų | 96 | 108 Ų | 108 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 178.7 | -161.2 | 132.2 | 0 | 0 | 0 | 111.5 | L13 Q14 K19 V20 Q21 | L13-L17 VanDerWaalsContact O-CB 3.3Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 3.04Å; Q14-L17 PolarHBondContact O-N 3.41Å; L17-K19 VanDerWaalsContact C-N 3.33Å; L17-K19 PolarHBondContact O-N 2.92Å; L17-V20 PolarHBondContact O-N 3.43Å; L17-Q21 HydrophobicContact CD2-CG 4.48Å; L17-Q21 WeakPolarHBondContact O-CB 3.29Å; L17-Q21 VanDerWaalsContact O-CG 3.26Å; L17-Q21 WeakPolarHBondContact O-CG 3.29Å; L17-Q21 PolarHBondContact O-N 3.08Å |
| 18 | H | 66.8 | Low | 69.9 | Low | 103 Ų | 103 | 105.4 Ų | 105.4 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 173.7 | -71.2 | 158.3 | 0 | 0 | 0 | 112.9 | Q14 D15 N16 R22 | Q14-H18 WeakPolarHBondContact O-CB 3.47Å; Q14-H18 VanDerWaalsContact O-CG 3.3Å; Q14-H18 PolarHBondContact O-N 3.3Å; Q14-H18 PolarHBondContact O-ND1 3.26Å; D15-H18 PolarHBondContact O-N 3.17Å; N16-H18 PolarHBondContact O-N 2.8Å; H18-R22 WeakPolarHBondContact O-CB 3.39Å; H18-R22 PolarHBondContact O-N 3.48Å; H18-R22 VanDerWaalsContact O-N 3.08Å |
| 19 | K | 71.6 | Confident | 68.8 | Low | 125 Ų | 125 | 101 Ų | 101 | 54% | 0.543 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -51.5 | 175.2 | -174 | -173.3 | 173.8 | -170 | 0 | 110.9 | D15 N16 L17 Q21 R22 D23 | D15-K19 WeakPolarHBondContact O-CB 3.42Å; D15-K19 PolarHBondContact O-N 2.95Å; N16-K19 WeakPolarHBondContact O-CB 3.26Å; N16-K19 PolarHBondContact O-N 3.33Å; L17-K19 VanDerWaalsContact C-N 3.33Å; L17-K19 PolarHBondContact O-N 2.92Å; K19-Q21 VanDerWaalsContact C-N 3.31Å; K19-Q21 PolarHBondContact O-N 3.25Å; K19-R22 WeakPolarHBondContact O-CB 3.41Å; K19-R22 PolarHBondContact O-N 3.32Å; K19-R22 VanDerWaalsContact O-N 3.09Å; K19-D23 PolarHBondContact O-N 3.38Å |
| 20 | V | 63.3 | Low | 68.3 | Low | 59 Ų | 59 | 95.7 Ų | 95.7 | 36% | 0.358 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 179.3 | 173 | 0 | 0 | 0 | 0 | 111.4 | N16 L17 R22 D23 F24 | N16-V20 WeakPolarHBondContact O-CG2 3.5Å; N16-V20 PolarHBondContact O-N 2.91Å; L17-V20 PolarHBondContact O-N 3.43Å; V20-R22 VanDerWaalsContact C-N 3.32Å; V20-R22 PolarHBondContact O-N 2.89Å; V20-D23 PolarHBondContact O-N 3.1Å; V20-F24 WeakPolarHBondContact O-CB 3.34Å; V20-F24 PolarHBondContact O-N 3.35Å |
| 21 | Q | 57.6 | Low | 67.3 | Low | 104 Ų | 104 | 93.5 Ų | 93.5 | 49% | 0.486 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 175.9 | -76.8 | 177.8 | -14.4 | 0 | 0 | 113.3 | L17 K19 R25 | L17-Q21 HydrophobicContact CD2-CG 4.48Å; L17-Q21 WeakPolarHBondContact O-CB 3.29Å; L17-Q21 VanDerWaalsContact O-CG 3.26Å; L17-Q21 WeakPolarHBondContact O-CG 3.29Å; L17-Q21 PolarHBondContact O-N 3.08Å; K19-Q21 VanDerWaalsContact C-N 3.31Å; K19-Q21 PolarHBondContact O-N 3.25Å; Q21-R25 PolarHBondContact O-N 3.26Å; Q21-R25 VanDerWaalsContact O-N 3.11Å |
| 22 | R | 71.1 | Confident | 66 | Low | 160 Ų | 160 | 94.6 Ų | 94.6 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.3 | -49.3 | 176.4 | -172.6 | -175.6 | -55.1 | -167.6 | 2 | 110.9 | H18 K19 V20 F24 R25 E26 | H18-R22 WeakPolarHBondContact O-CB 3.39Å; H18-R22 PolarHBondContact O-N 3.48Å; H18-R22 VanDerWaalsContact O-N 3.08Å; K19-R22 WeakPolarHBondContact O-CB 3.41Å; K19-R22 PolarHBondContact O-N 3.32Å; K19-R22 VanDerWaalsContact O-N 3.09Å; V20-R22 VanDerWaalsContact C-N 3.32Å; V20-R22 PolarHBondContact O-N 2.89Å; R22-F24 PolarHBondContact O-N 3.01Å; R22-R25 PolarHBondContact O-N 3.18Å; R22-E26 PolarHBondContact O-N 3.4Å |
| 23 | D | 63 | Low | 65.3 | Low | 63 Ų | 63 | 99.7 Ų | 99.7 | 34% | 0.337 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.9 | -39.4 | 178.8 | -65.7 | -9.2 | 0 | 0 | 0 | 110.6 | K19 V20 E26 Q27 | K19-D23 PolarHBondContact O-N 3.38Å; V20-D23 PolarHBondContact O-N 3.1Å; D23-E26 PolarHBondContact O-N 3.38Å; D23-Q27 WeakPolarHBondContact O-CG 3.36Å; D23-Q27 PolarHBondContact O-N 2.81Å |
| 24 | F | 58 | Low | 65 | Low | 92 Ų | 92 | 102.4 Ų | 102.4 | 40% | 0.404 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 173.1 | 173.9 | -102.7 | 0 | 0 | 0 | 112.6 | V20 R22 E26 Q27 L28 W86 | V20-F24 WeakPolarHBondContact O-CB 3.34Å; V20-F24 PolarHBondContact O-N 3.35Å; R22-F24 PolarHBondContact O-N 3.01Å; F24-E26 VanDerWaalsContact C-N 3.31Å; F24-E26 PolarHBondContact O-N 3.42Å; F24-Q27 PolarHBondContact O-N 3.27Å; F24-L28 HydrophobicContact CE1-CD2 4.11Å; F24-L28 HydrophobicContact CZ-CD2 4.23Å; F24-L28 WeakPolarHBondContact O-CB 3.4Å; F24-L28 PolarHBondContact O-N 2.82Å; F24-W86 HydrophobicContact CD2-CZ3 4.21Å |
| 25 | R | 61.3 | Low | 64.3 | Low | 182 Ų | 182 | 104.4 Ų | 104.4 | 69% | 0.687 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61 | -40.8 | 178.9 | -82 | -177.5 | 175.8 | -165.5 | -0.4 | 112 | Q21 R22 L28 N29 | Q21-R25 PolarHBondContact O-N 3.26Å; Q21-R25 VanDerWaalsContact O-N 3.11Å; R22-R25 PolarHBondContact O-N 3.18Å; R25-L28 PolarHBondContact O-N 2.85Å; R25-N29 WeakPolarHBondContact O-CB 3.34Å; R25-N29 VanDerWaalsContact O-CG 3.29Å; R25-N29 PolarHBondContact O-N 3.22Å |
| 26 | E | 66.9 | Low | 63.4 | Low | 116 Ų | 116 | 102.8 Ų | 102.8 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 178.2 | -71.5 | 177.3 | -171.3 | 0 | 0 | 111.6 | R22 D23 F24 N29 A30 | R22-E26 PolarHBondContact O-N 3.4Å; D23-E26 PolarHBondContact O-N 3.38Å; F24-E26 VanDerWaalsContact C-N 3.31Å; F24-E26 PolarHBondContact O-N 3.42Å; E26-N29 PolarHBondContact O-N 2.93Å; E26-A30 WeakPolarHBondContact O-CB 3.43Å; E26-A30 PolarHBondContact O-N 3.41Å |
| 27 | Q | 60.3 | Low | 62.9 | Low | 100 Ų | 100 | 101.9 Ų | 101.9 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -37.2 | 177.5 | -70.4 | -178.1 | 26 | 0 | 0 | 112.9 | D23 F24 T31 W86 | D23-Q27 WeakPolarHBondContact O-CG 3.36Å; D23-Q27 PolarHBondContact O-N 2.81Å; F24-Q27 PolarHBondContact O-N 3.27Å; Q27-T31 VanDerWaalsContact O-CB 3.32Å; Q27-T31 WeakPolarHBondContact O-CB 3.5Å; Q27-T31 PolarHBondContact O-N 3.26Å; Q27-T31 PolarHBondContact O-OG1 3.18Å; Q27-W86 VanDerWaalsContact OE1-CH2 3.3Å |
| 28 | L | 57.3 | Low | 62.4 | Low | 75 Ų | 75 | 101.4 Ų | 101.4 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65 | -47.3 | 175.2 | -179.6 | 63 | 0 | 0 | 0 | 110.7 | F24 R25 T31 M32 | F24-L28 HydrophobicContact CE1-CD2 4.11Å; F24-L28 HydrophobicContact CZ-CD2 4.23Å; F24-L28 WeakPolarHBondContact O-CB 3.4Å; F24-L28 PolarHBondContact O-N 2.82Å; R25-L28 PolarHBondContact O-N 2.85Å; L28-T31 WeakPolarHBondContact O-CB 3.35Å; L28-T31 PolarHBondContact O-N 3.1Å; L28-T31 VanDerWaalsContact O-N 3.16Å; L28-M32 HydrophobicContact CD1-CG 4.29Å; L28-M32 HydrophobicContact CG-CG 4.45Å; L28-M32 WeakPolarHBondContact O-CG 3.47Å; L28-M32 PolarHBondContact O-N 3.26Å |
| 29 | N | 59.3 | Low | 62 | Low | 87 Ų | 87 | 100.9 Ų | 100.9 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 177.5 | -77.3 | -13.9 | 0 | 0 | 0 | 111.7 | R25 E26 T31 M32 E33 | R25-N29 WeakPolarHBondContact O-CB 3.34Å; R25-N29 VanDerWaalsContact O-CG 3.29Å; R25-N29 PolarHBondContact O-N 3.22Å; E26-N29 PolarHBondContact O-N 2.93Å; N29-T31 PolarHBondContact O-N 3.15Å; N29-M32 PolarHBondContact O-N 3.41Å; N29-E33 WeakPolarHBondContact O-CB 3.4Å; N29-E33 WeakPolarHBondContact O-CG 3.41Å; N29-E33 PolarHBondContact O-N 3.01Å |
| 30 | A | 66.1 | Low | 61.4 | Low | 36 Ų | 36 | 97.2 Ų | 97.2 | 30% | 0.298 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -34 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E26 R34 | E26-A30 WeakPolarHBondContact O-CB 3.43Å; E26-A30 PolarHBondContact O-N 3.41Å; A30-R34 VanDerWaalsContact O-CG 3.29Å; A30-R34 WeakPolarHBondContact O-CG 3.44Å; A30-R34 PolarHBondContact O-N 2.97Å |
| 31 | T | 59.3 | Low | 61.5 | Low | 52 Ų | 52 | 97 Ų | 97 | 32% | 0.319 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72 | -43.3 | 176.2 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | Q27 L28 N29 R34 W35 L79 | Q27-T31 VanDerWaalsContact O-CB 3.32Å; Q27-T31 WeakPolarHBondContact O-CB 3.5Å; Q27-T31 PolarHBondContact O-N 3.26Å; Q27-T31 PolarHBondContact O-OG1 3.18Å; L28-T31 WeakPolarHBondContact O-CB 3.35Å; L28-T31 PolarHBondContact O-N 3.1Å; L28-T31 VanDerWaalsContact O-N 3.16Å; N29-T31 PolarHBondContact O-N 3.15Å; T31-R34 PolarHBondContact O-N 2.78Å; T31-W35 WeakPolarHBondContact O-CB 3.47Å; T31-W35 PolarHBondContact O-N 2.85Å; T31-L79 HydrophobicContact CG2-CD2 4.02Å |
| 32 | M | 55.8 | Low | 61.7 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 48% | 0.478 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 177.6 | -70.9 | -137.1 | -63.1 | 0 | 0 | 112.5 | L28 N29 W35 A36 | L28-M32 HydrophobicContact CD1-CG 4.29Å; L28-M32 HydrophobicContact CG-CG 4.45Å; L28-M32 WeakPolarHBondContact O-CG 3.47Å; L28-M32 PolarHBondContact O-N 3.26Å; N29-M32 PolarHBondContact O-N 3.41Å; M32-W35 CarbonylContact O-C 3.59Å; M32-W35 PolarHBondContact O-N 3.4Å; M32-A36 WeakPolarHBondContact O-CB 3.32Å; M32-A36 PolarHBondContact O-N 3.4Å |
| 33 | E | 68.6 | Low | 61.5 | Low | 147 Ų | 147 | 92.2 Ų | 92.2 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 174.3 | -76.6 | 179.2 | 173.5 | 0 | 0 | 111.7 | N29 W35 A36 G37 | N29-E33 WeakPolarHBondContact O-CB 3.4Å; N29-E33 WeakPolarHBondContact O-CG 3.41Å; N29-E33 PolarHBondContact O-N 3.01Å; E33-W35 VanDerWaalsContact C-N 3.28Å; E33-W35 PolarHBondContact O-N 3.49Å; E33-A36 PolarHBondContact O-N 2.82Å; E33-G37 PolarHBondContact O-N 2.98Å |
| 34 | R | 64.8 | Low | 61.6 | Low | 173 Ų | 173 | 94 Ų | 94 | 65% | 0.653 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.1 | -40.4 | 173.2 | -75 | 175.1 | -170.4 | 167.9 | 4.9 | 111.1 | A30 T31 G37 W38 | A30-R34 VanDerWaalsContact O-CG 3.29Å; A30-R34 WeakPolarHBondContact O-CG 3.44Å; A30-R34 PolarHBondContact O-N 2.97Å; T31-R34 PolarHBondContact O-N 2.78Å; R34-G37 PolarHBondContact O-N 2.93Å; R34-W38 PolarHBondContact O-N 2.95Å; R34-W38 VanDerWaalsContact O-N 3.09Å; R34-W38 PolarHBondContact O-NE1 2.75Å |
| 35 | W | 56.8 | Low | 61.8 | Low | 150 Ų | 150 | 91.2 Ų | 91.2 | 57% | 0.568 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.4 | -39.7 | 178.5 | -173.9 | 54.8 | 0 | 0 | 0 | 113 | T31 M32 E33 G37 W38 N39 | T31-W35 WeakPolarHBondContact O-CB 3.47Å; T31-W35 PolarHBondContact O-N 2.85Å; M32-W35 CarbonylContact O-C 3.59Å; M32-W35 PolarHBondContact O-N 3.4Å; E33-W35 VanDerWaalsContact C-N 3.28Å; E33-W35 PolarHBondContact O-N 3.49Å; W35-G37 VanDerWaalsContact C-N 3.34Å; W35-G37 PolarHBondContact O-N 3.47Å; W35-W38 AromaticContact CD1-CE3 3.92Å; W35-W38 WeakPolarHBondContact O-CA 3.39Å; W35-W38 VanDerWaalsContact O-CB 3.26Å; W35-W38 WeakPolarHBondContact O-CB 3.33Å; W35-W38 PolarHBondContact O-N 3.43Å; W35-N39 PolarHBondContact O-N 3Å |
| 36 | A | 60.4 | Low | 61.9 | Low | 68 Ų | 68 | 85.6 Ų | 85.6 | 56% | 0.562 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M32 E33 W38 N39 | M32-A36 WeakPolarHBondContact O-CB 3.32Å; M32-A36 PolarHBondContact O-N 3.4Å; E33-A36 PolarHBondContact O-N 2.82Å; A36-W38 PolarHBondContact O-N 2.88Å; A36-N39 PolarHBondContact O-N 3.45Å |
| 37 | G | 64 | Low | 61.9 | Low | 54 Ų | 54 | 83.9 Ų | 83.9 | 56% | 0.557 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.8 | -21.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | E33 R34 W35 | E33-G37 PolarHBondContact O-N 2.98Å; R34-G37 PolarHBondContact O-N 2.93Å; W35-G37 VanDerWaalsContact C-N 3.34Å; W35-G37 PolarHBondContact O-N 3.47Å |
| 38 | W | 59 | Low | 62 | Low | 86 Ų | 86 | 84.8 Ų | 84.8 | 33% | 0.326 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -77.4 | -34.9 | 177.2 | -67.4 | -0.4 | 0 | 0 | 0 | 113.8 | R34 W35 A36 S41 H42 K72 | R34-W38 PolarHBondContact O-N 2.95Å; R34-W38 VanDerWaalsContact O-N 3.09Å; R34-W38 PolarHBondContact O-NE1 2.75Å; W35-W38 AromaticContact CD1-CE3 3.92Å; W35-W38 WeakPolarHBondContact O-CA 3.39Å; W35-W38 VanDerWaalsContact O-CB 3.26Å; W35-W38 WeakPolarHBondContact O-CB 3.33Å; W35-W38 PolarHBondContact O-N 3.43Å; A36-W38 PolarHBondContact O-N 2.88Å; W38-S41 PolarHBondContact O-N 3.33Å; W38-H42 PolarHBondContact O-N 2.97Å; W38-K72 HydrophobicContact CD2-CD 4.49Å; W38-K72 HydrophobicContact CE3-CD 4.16Å; W38-K72 HydrophobicContact CH2-CG 4.49Å; W38-K72 HydrophobicContact CZ3-CD 4.34Å; W38-K72 HydrophobicContact CZ3-CG 4.33Å |
| 39 | N | 56.4 | Low | 61.8 | Low | 92 Ų | 92 | 84.2 Ų | 84.2 | 49% | 0.492 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 177.6 | -91.7 | 2.6 | 0 | 0 | 0 | 111.8 | W35 A36 S41 H42 D43 | W35-N39 PolarHBondContact O-N 3Å; A36-N39 PolarHBondContact O-N 3.45Å; N39-S41 PolarHBondContact O-N 3.04Å; N39-H42 WeakPolarHBondContact O-CB 3.29Å; N39-H42 PolarHBondContact O-N 3.16Å; N39-H42 VanDerWaalsContact O-N 3.13Å; N39-D43 PolarHBondContact O-N 3.41Å |
| 40 | G | 60.7 | Low | 62 | Low | 48 Ų | 48 | 89.5 Ų | 89.5 | 50% | 0.495 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -25 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 41 | S | 64.1 | Low | 62 | Low | 55 Ų | 55 | 95.5 Ų | 95.5 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -86.4 | -22.5 | 177.2 | 177.9 | 0 | 0 | 0 | 0 | 113.7 | W38 N39 S45 | W38-S41 PolarHBondContact O-N 3.33Å; N39-S41 PolarHBondContact O-N 3.04Å; S41-S45 PolarHBondContact O-N 3.46Å; S41-S45 PolarHBondContact O-OG 3.37Å |
| 42 | H | 62.9 | Low | 62 | Low | 71 Ų | 71 | 95.5 Ų | 95.5 | 33% | 0.329 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.1 | -49.8 | 177.2 | 169.9 | -86.1 | 0 | 0 | 0 | 110.2 | W38 N39 L44 S45 M46 F65 | W38-H42 PolarHBondContact O-N 2.97Å; N39-H42 WeakPolarHBondContact O-CB 3.29Å; N39-H42 PolarHBondContact O-N 3.16Å; N39-H42 VanDerWaalsContact O-N 3.13Å; H42-L44 VanDerWaalsContact C-N 3.31Å; H42-L44 PolarHBondContact O-N 3.2Å; H42-S45 PolarHBondContact O-N 3.49Å; H42-M46 PolarHBondContact O-N 2.82Å; H42-F65 AromaticContact CD2-CE2 3.54Å; H42-F65 AromaticContact CD2-CZ 3.57Å; H42-F65 AromaticContact NE2-CZ 3.69Å |
| 43 | D | 65.4 | Low | 61.8 | Low | 92 Ų | 92 | 95.1 Ų | 95.1 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | -177.6 | -62.4 | -18 | 0 | 0 | 0 | 110.9 | N39 S45 M46 D47 | N39-D43 PolarHBondContact O-N 3.41Å; D43-S45 VanDerWaalsContact C-N 3.26Å; D43-S45 PolarHBondContact O-N 3.08Å; D43-M46 PolarHBondContact O-N 3.04Å; D43-M46 VanDerWaalsContact O-N 3.15Å; D43-D47 VanDerWaalsContact O-CG 3.27Å; D43-D47 PolarHBondContact O-N 3.4Å |
| 44 | L | 66.7 | Low | 61.4 | Low | 101 Ų | 101 | 91.5 Ų | 91.5 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -29 | 175.3 | -131.1 | 145.9 | 0 | 0 | 0 | 113.8 | H42 K48 | H42-L44 VanDerWaalsContact C-N 3.31Å; H42-L44 PolarHBondContact O-N 3.2Å; L44-K48 WeakPolarHBondContact O-CG 3.42Å; L44-K48 PolarHBondContact O-N 3.05Å |
| 45 | S | 61.8 | Low | 61 | Low | 34 Ų | 34 | 88.4 Ų | 88.4 | 24% | 0.238 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -81.2 | -35.3 | 175.9 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | S41 H42 D43 F49 | S41-S45 PolarHBondContact O-N 3.46Å; S41-S45 PolarHBondContact O-OG 3.37Å; H42-S45 PolarHBondContact O-N 3.49Å; D43-S45 VanDerWaalsContact C-N 3.26Å; D43-S45 PolarHBondContact O-N 3.08Å; S45-F49 WeakPolarHBondContact O-CB 3.46Å; S45-F49 PolarHBondContact O-N 2.9Å |
| 46 | M | 63.3 | Low | 61.4 | Low | 63 Ų | 63 | 89.4 Ų | 89.4 | 31% | 0.31 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 175.1 | -74.5 | -64.6 | -167 | 0 | 0 | 112.1 | H42 D43 F49 R50 F65 | H42-M46 PolarHBondContact O-N 2.82Å; D43-M46 PolarHBondContact O-N 3.04Å; D43-M46 VanDerWaalsContact O-N 3.15Å; M46-F49 WeakPolarHBondContact O-CB 3.47Å; M46-F49 PolarHBondContact O-N 3.27Å; M46-R50 WeakPolarHBondContact O-CG 3.5Å; M46-R50 PolarHBondContact O-N 3.43Å; M46-F65 HydrophobicContact CE-CE1 3.94Å; M46-F65 HydrophobicContact CE-CZ 3.94Å |
| 47 | D | 67.3 | Low | 61.4 | Low | 81 Ų | 81 | 89.3 Ų | 89.3 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 174.1 | -69.4 | -22.3 | 0 | 0 | 0 | 110.9 | D43 F49 R50 E51 | D43-D47 VanDerWaalsContact O-CG 3.27Å; D43-D47 PolarHBondContact O-N 3.4Å; D47-F49 VanDerWaalsContact C-N 3.28Å; D47-F49 PolarHBondContact O-N 3.02Å; D47-R50 PolarHBondContact O-N 3.43Å; D47-R50 VanDerWaalsContact O-N 3.1Å; D47-E51 WeakPolarHBondContact O-CG 3.42Å; D47-E51 PolarHBondContact O-N 3.08Å |
| 48 | K | 61.2 | Low | 60.9 | Low | 119 Ų | 119 | 89.3 Ų | 89.3 | 52% | 0.517 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 172.9 | -76.6 | 177.8 | -179.9 | 177.4 | 0 | 113 | L44 L52 | L44-K48 WeakPolarHBondContact O-CG 3.42Å; L44-K48 PolarHBondContact O-N 3.05Å; K48-L52 WeakPolarHBondContact O-CD1 3.44Å; K48-L52 VanDerWaalsContact O-CG 3.26Å; K48-L52 WeakPolarHBondContact O-CG 3.2Å; K48-L52 PolarHBondContact O-N 3.42Å |
| 49 | F | 54.3 | Low | 61.2 | Low | 63 Ų | 63 | 91.1 Ų | 91.1 | 28% | 0.276 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 175.9 | 178.9 | -91.5 | 0 | 0 | 0 | 111.9 | S45 M46 D47 Q58 V61 | S45-F49 WeakPolarHBondContact O-CB 3.46Å; S45-F49 PolarHBondContact O-N 2.9Å; M46-F49 WeakPolarHBondContact O-CB 3.47Å; M46-F49 PolarHBondContact O-N 3.27Å; D47-F49 VanDerWaalsContact C-N 3.28Å; D47-F49 PolarHBondContact O-N 3.02Å; F49-Q58 HydrophobicContact CD2-CB 4.19Å; F49-Q58 HydrophobicContact CD2-CG 4.49Å; F49-Q58 HydrophobicContact CE2-CB 3.69Å; F49-Q58 HydrophobicContact CE2-CG 4.25Å; F49-Q58 VanDerWaalsContact CE2-O 3.29Å; F49-Q58 WeakPolarHBondContact CE2-O 3.4Å; F49-Q58 HydrophobicContact CZ-CB 4.19Å; F49-V61 HydrophobicContact CB-CG1 4.2Å; F49-V61 HydrophobicContact CD2-CB 4.41Å; F49-V61 HydrophobicContact CD2-CG1 4.34Å |
| 50 | R | 62.9 | Low | 62 | Low | 198 Ų | 198 | 93.3 Ų | 93.3 | 75% | 0.747 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72.6 | -31.7 | 177.8 | -73 | 174.5 | 179.6 | 172.9 | 0.8 | 113.5 | M46 D47 L52 | M46-R50 WeakPolarHBondContact O-CG 3.5Å; M46-R50 PolarHBondContact O-N 3.43Å; D47-R50 PolarHBondContact O-N 3.43Å; D47-R50 VanDerWaalsContact O-N 3.1Å; R50-L52 VanDerWaalsContact C-N 3.33Å |
| 51 | E | 66.3 | Low | 62.2 | Low | 162 Ų | 162 | 93.2 Ų | 93.2 | 76% | 0.757 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -75.2 | -19.6 | 178.4 | -73.7 | -179.9 | 167.9 | 0 | 0 | 113.6 | D47 G53 | D47-E51 WeakPolarHBondContact O-CG 3.42Å; D47-E51 PolarHBondContact O-N 3.08Å; E51-G53 PolarHBondContact O-N 3.09Å |
| 52 | L | 58.6 | Low | 62.3 | Low | 52 Ų | 52 | 96.6 Ų | 96.6 | 27% | 0.272 | 48% | 0.478 | S | S | . | . | trans | -75.9 | 120.6 | 178.2 | -72.7 | 167.2 | 0 | 0 | 0 | 110.9 | K48 R50 N57 Q58 V61 | K48-L52 WeakPolarHBondContact O-CD1 3.44Å; K48-L52 VanDerWaalsContact O-CG 3.26Å; K48-L52 WeakPolarHBondContact O-CG 3.2Å; K48-L52 PolarHBondContact O-N 3.42Å; R50-L52 VanDerWaalsContact C-N 3.33Å; L52-N57 HydrophobicContact CD1-CB 4.18Å; L52-N57 HydrophobicContact CD2-CB 4.04Å; L52-Q58 HydrophobicContact CB-CG 3.83Å; L52-Q58 PolarHBondContact O-NE2 3.43Å; L52-V61 HydrophobicContact CD1-CB 4.38Å; L52-V61 HydrophobicContact CD1-CG2 3.6Å | ||
| 53 | G | 52 | Low | 62.7 | Low | 88 Ų | 88 | 96.8 Ų | 96.8 | 91% | 0.907 | 48% | 0.482 | S | S | * | . | trans | -86.4 | -4.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | E51 | E51-G53 PolarHBondContact O-N 3.09Š| ||
| 54 | D | 60.3 | Low | 63.1 | Low | 71 Ų | 71 | 95 Ų | 95 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | trans | -117.1 | 127.4 | -177.8 | 147.3 | 43.9 | 0 | 0 | 0 | 111.3 | Y56 N57 Q58 | D54-Y56 VanDerWaalsContact C-N 3.28Å; D54-Y56 PolarHBondContact O-N 3.36Å; D54-Y56 VanDerWaalsContact OD1-CB 3.29Å; D54-Y56 WeakPolarHBondContact OD1-CB 3.49Å; D54-Y56 PolarHBondContact OD1-N 2.95Å; D54-N57 PolarHBondContact O-N 3.06Å; D54-N57 PolarHBondContact OD2-N 3.11Å; D54-N57 PolarHBondContact OD2-ND2 2.96Å; D54-Q58 WeakPolarHBondContact O-CG 3.43Å; D54-Q58 PolarHBondContact O-N 3.05Å | ||
| 55 | T | 57.3 | Low | 63.3 | Low | 109 Ų | 109 | 92 Ų | 92 | 67% | 0.669 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.2 | -31.1 | -177.4 | -31.8 | 0 | 0 | 0 | 0 | 113.8 | K59 | T55-K59 WeakPolarHBondContact O-CB 3.42Å; T55-K59 PolarHBondContact O-N 2.97Å |
| 56 | Y | 64.3 | Low | 63.9 | Low | 171 Ų | 171 | 92.1 Ų | 92.1 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.9 | -47.4 | 177.2 | 177.1 | -96.6 | 0 | 0 | 0 | 111.4 | D54 K59 K60 | D54-Y56 VanDerWaalsContact C-N 3.28Å; D54-Y56 PolarHBondContact O-N 3.36Å; D54-Y56 VanDerWaalsContact OD1-CB 3.29Å; D54-Y56 WeakPolarHBondContact OD1-CB 3.49Å; D54-Y56 PolarHBondContact OD1-N 2.95Å; Y56-K59 PolarHBondContact O-N 3.03Å; Y56-K60 PolarHBondContact O-N 3.16Å; Y56-K60 VanDerWaalsContact O-N 3.1Å |
| 57 | N | 61.6 | Low | 64.7 | Low | 66 Ų | 66 | 96.1 Ų | 96.1 | 35% | 0.353 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.8 | -36.3 | 177.4 | -77.9 | -50.9 | 0 | 0 | 0 | 112.4 | L52 D54 K59 K60 V61 | L52-N57 HydrophobicContact CD1-CB 4.18Å; L52-N57 HydrophobicContact CD2-CB 4.04Å; D54-N57 PolarHBondContact O-N 3.06Å; D54-N57 PolarHBondContact OD2-N 3.11Å; D54-N57 PolarHBondContact OD2-ND2 2.96Å; N57-K59 VanDerWaalsContact C-N 3.35Å; N57-K59 PolarHBondContact O-N 3.32Å; N57-K60 PolarHBondContact O-N 3.3Å; N57-V61 WeakPolarHBondContact O-CG2 3.43Å; N57-V61 PolarHBondContact O-N 2.96Å; N57-V61 VanDerWaalsContact O-N 3.08Å |
| 58 | Q | 52 | Low | 65.2 | Low | 54 Ų | 54 | 97 Ų | 97 | 25% | 0.252 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 170.6 | -75.1 | 178.7 | -11.6 | 0 | 0 | 111.5 | F49 L52 D54 K60 V61 Y62 | F49-Q58 HydrophobicContact CD2-CB 4.19Å; F49-Q58 HydrophobicContact CD2-CG 4.49Å; F49-Q58 HydrophobicContact CE2-CB 3.69Å; F49-Q58 HydrophobicContact CE2-CG 4.25Å; F49-Q58 VanDerWaalsContact CE2-O 3.29Å; F49-Q58 WeakPolarHBondContact CE2-O 3.4Å; F49-Q58 HydrophobicContact CZ-CB 4.19Å; L52-Q58 HydrophobicContact CB-CG 3.83Å; L52-Q58 PolarHBondContact O-NE2 3.43Å; D54-Q58 WeakPolarHBondContact O-CG 3.43Å; D54-Q58 PolarHBondContact O-N 3.05Å; Q58-K60 VanDerWaalsContact C-N 3.32Å; Q58-K60 PolarHBondContact O-N 2.9Å; Q58-V61 PolarHBondContact O-N 3.2Å; Q58-Y62 WeakPolarHBondContact O-CB 3.43Å; Q58-Y62 PolarHBondContact O-N 3.36Å |
| 59 | K | 66.8 | Low | 65.9 | Low | 123 Ų | 123 | 95.1 Ų | 95.1 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 177.3 | -179.5 | 172.7 | -178.1 | -63.2 | 0 | 112.1 | T55 Y56 N57 Y62 D63 | T55-K59 WeakPolarHBondContact O-CB 3.42Å; T55-K59 PolarHBondContact O-N 2.97Å; Y56-K59 PolarHBondContact O-N 3.03Å; N57-K59 VanDerWaalsContact C-N 3.35Å; N57-K59 PolarHBondContact O-N 3.32Å; K59-Y62 PolarHBondContact O-N 2.91Å; K59-D63 IonicContact NZ-OD2 2.78Å; K59-D63 PolarHBondContact NZ-OD2 3.08Å; K59-D63 WeakPolarHBondContact O-CB 3.33Å; K59-D63 VanDerWaalsContact O-CG 3.22Å; K59-D63 PolarHBondContact O-N 3.49Å |
| 60 | K | 71.6 | Confident | 66.9 | Low | 138 Ų | 138 | 101 Ų | 101 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 177.7 | -171.6 | -179.5 | 178.7 | -178.9 | 0 | 112.4 | Y56 N57 Q58 A64 | Y56-K60 PolarHBondContact O-N 3.16Å; Y56-K60 VanDerWaalsContact O-N 3.1Å; N57-K60 PolarHBondContact O-N 3.3Å; Q58-K60 VanDerWaalsContact C-N 3.32Å; Q58-K60 PolarHBondContact O-N 2.9Å; K60-A64 WeakPolarHBondContact O-CB 3.46Å; K60-A64 PolarHBondContact O-N 3.23Å; K60-A64 VanDerWaalsContact O-N 3.1Å |
| 61 | V | 65.1 | Low | 67.6 | Low | 46 Ų | 46 | 93.3 Ų | 93.3 | 28% | 0.279 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | F49 L52 N57 Q58 A64 F65 | F49-V61 HydrophobicContact CB-CG1 4.2Å; F49-V61 HydrophobicContact CD2-CB 4.41Å; F49-V61 HydrophobicContact CD2-CG1 4.34Å; L52-V61 HydrophobicContact CD1-CB 4.38Å; L52-V61 HydrophobicContact CD1-CG2 3.6Å; N57-V61 WeakPolarHBondContact O-CG2 3.43Å; N57-V61 PolarHBondContact O-N 2.96Å; N57-V61 VanDerWaalsContact O-N 3.08Å; Q58-V61 PolarHBondContact O-N 3.2Å; V61-A64 PolarHBondContact O-N 3.48Å; V61-F65 WeakPolarHBondContact O-CB 3.34Å; V61-F65 PolarHBondContact O-N 3.14Å |
| 62 | Y | 66.9 | Low | 67.8 | Low | 127 Ų | 127 | 88.3 Ų | 88.3 | 50% | 0.498 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 175.9 | -177.1 | -98.5 | 0 | 0 | 0 | 112.6 | Q58 K59 A64 F65 V66 | Q58-Y62 WeakPolarHBondContact O-CB 3.43Å; Q58-Y62 PolarHBondContact O-N 3.36Å; K59-Y62 PolarHBondContact O-N 2.91Å; Y62-A64 VanDerWaalsContact C-N 3.32Å; Y62-A64 PolarHBondContact O-N 3.2Å; Y62-F65 WeakPolarHBondContact O-CB 3.37Å; Y62-F65 PolarHBondContact O-N 3.01Å; Y62-F65 VanDerWaalsContact O-N 3.15Å; Y62-V66 HydrophobicContact CD1-CG2 3.96Å; Y62-V66 HydrophobicContact CE1-CG2 3.55Å; Y62-V66 HydrophobicContact CE2-CG2 4.16Å; Y62-V66 HydrophobicContact CG-CG2 4.43Å; Y62-V66 WeakPolarHBondContact O-CG2 3.43Å; Y62-V66 PolarHBondContact O-N 2.92Å |
| 63 | D | 71.6 | Confident | 68.5 | Low | 75 Ų | 75 | 88.9 Ų | 88.9 | 40% | 0.401 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 178.4 | -73.2 | -20.3 | 0 | 0 | 0 | 111 | K59 V66 H67 | K59-D63 IonicContact NZ-OD2 2.78Å; K59-D63 PolarHBondContact NZ-OD2 3.08Å; K59-D63 WeakPolarHBondContact O-CB 3.33Å; K59-D63 VanDerWaalsContact O-CG 3.22Å; K59-D63 PolarHBondContact O-N 3.49Å; D63-V66 PolarHBondContact O-N 3.49Å; D63-H67 WeakPolarHBondContact O-CB 3.43Å; D63-H67 PolarHBondContact O-N 3.46Å |
| 64 | A | 74.3 | Confident | 69.6 | Low | 54 Ų | 54 | 86.7 Ų | 86.7 | 45% | 0.446 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | K60 V61 Y62 H67 Q68 | K60-A64 WeakPolarHBondContact O-CB 3.46Å; K60-A64 PolarHBondContact O-N 3.23Å; K60-A64 VanDerWaalsContact O-N 3.1Å; V61-A64 PolarHBondContact O-N 3.48Å; Y62-A64 VanDerWaalsContact C-N 3.32Å; Y62-A64 PolarHBondContact O-N 3.2Å; A64-H67 PolarHBondContact O-N 3.11Å; A64-Q68 WeakPolarHBondContact O-CG 3.44Å; A64-Q68 PolarHBondContact O-N 3.45Å |
| 65 | F | 70 | Confident | 70.3 | Confident | 38 Ų | 38 | 89.7 Ų | 89.7 | 17% | 0.167 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 175.8 | 174.7 | -109.8 | 0 | 0 | 0 | 112 | H42 M46 V61 Y62 H67 Q68 L69 | H42-F65 AromaticContact CD2-CE2 3.54Å; H42-F65 AromaticContact CD2-CZ 3.57Å; H42-F65 AromaticContact NE2-CZ 3.69Å; M46-F65 HydrophobicContact CE-CE1 3.94Å; M46-F65 HydrophobicContact CE-CZ 3.94Å; V61-F65 WeakPolarHBondContact O-CB 3.34Å; V61-F65 PolarHBondContact O-N 3.14Å; Y62-F65 WeakPolarHBondContact O-CB 3.37Å; Y62-F65 PolarHBondContact O-N 3.01Å; Y62-F65 VanDerWaalsContact O-N 3.15Å; F65-H67 VanDerWaalsContact C-N 3.31Å; F65-H67 PolarHBondContact O-N 3.49Å; F65-Q68 PolarHBondContact O-N 2.92Å; F65-L69 HydrophobicContact CD1-CD1 3.88Å; F65-L69 HydrophobicContact CD2-CD1 4.5Å; F65-L69 HydrophobicContact CE1-CD1 3.24Å; F65-L69 HydrophobicContact CE2-CD1 3.94Å; F65-L69 HydrophobicContact CG-CD1 4.47Å; F65-L69 HydrophobicContact CZ-CD1 3.28Å; F65-L69 HydrophobicContact CZ-CG 4.46Å; F65-L69 WeakPolarHBondContact O-CB 3.34Å; F65-L69 PolarHBondContact O-N 3.44Å |
| 66 | V | 74.7 | Confident | 71.1 | Confident | 37 Ų | 37 | 89.3 Ų | 89.3 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 177 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | Y62 D63 L69 R70 | Y62-V66 HydrophobicContact CD1-CG2 3.96Å; Y62-V66 HydrophobicContact CE1-CG2 3.55Å; Y62-V66 HydrophobicContact CE2-CG2 4.16Å; Y62-V66 HydrophobicContact CG-CG2 4.43Å; Y62-V66 WeakPolarHBondContact O-CG2 3.43Å; Y62-V66 PolarHBondContact O-N 2.92Å; D63-V66 PolarHBondContact O-N 3.49Å; V66-L69 WeakPolarHBondContact O-CB 3.26Å; V66-L69 PolarHBondContact O-N 2.93Å; V66-R70 WeakPolarHBondContact O-CG 3.39Å; V66-R70 PolarHBondContact O-N 3.47Å |
| 67 | H | 79.7 | Confident | 71.6 | Confident | 146 Ų | 146 | 86.6 Ų | 86.6 | 68% | 0.676 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 176.5 | -170.6 | 69.6 | 0 | 0 | 0 | 111.8 | D63 A64 F65 L69 R70 G71 | D63-H67 WeakPolarHBondContact O-CB 3.43Å; D63-H67 PolarHBondContact O-N 3.46Å; A64-H67 PolarHBondContact O-N 3.11Å; F65-H67 VanDerWaalsContact C-N 3.31Å; F65-H67 PolarHBondContact O-N 3.49Å; H67-L69 VanDerWaalsContact C-N 3.34Å; H67-L69 PolarHBondContact O-N 3.31Å; H67-R70 PolarHBondContact O-N 2.93Å; H67-G71 PolarHBondContact O-N 3Å |
| 68 | Q | 77.3 | Confident | 72.3 | Confident | 100 Ų | 100 | 89.9 Ų | 89.9 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 173.4 | -72.5 | -173.6 | -1.3 | 0 | 0 | 111.9 | A64 F65 G71 K72 | A64-Q68 WeakPolarHBondContact O-CG 3.44Å; A64-Q68 PolarHBondContact O-N 3.45Å; F65-Q68 PolarHBondContact O-N 2.92Å; Q68-G71 PolarHBondContact O-N 3.48Å; Q68-K72 WeakPolarHBondContact O-CB 3.49Å; Q68-K72 WeakPolarHBondContact O-CG 3.36Å; Q68-K72 PolarHBondContact O-N 3.47Å |
| 69 | L | 76 | Confident | 73.3 | Confident | 80 Ų | 80 | 91.2 Ų | 91.2 | 42% | 0.419 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 177.1 | -119 | 149.8 | 0 | 0 | 0 | 111.6 | F65 V66 H67 G71 K72 T73 | F65-L69 HydrophobicContact CD1-CD1 3.88Å; F65-L69 HydrophobicContact CD2-CD1 4.5Å; F65-L69 HydrophobicContact CE1-CD1 3.24Å; F65-L69 HydrophobicContact CE2-CD1 3.94Å; F65-L69 HydrophobicContact CG-CD1 4.47Å; F65-L69 HydrophobicContact CZ-CD1 3.28Å; F65-L69 HydrophobicContact CZ-CG 4.46Å; F65-L69 WeakPolarHBondContact O-CB 3.34Å; F65-L69 PolarHBondContact O-N 3.44Å; V66-L69 WeakPolarHBondContact O-CB 3.26Å; V66-L69 PolarHBondContact O-N 2.93Å; H67-L69 VanDerWaalsContact C-N 3.34Å; H67-L69 PolarHBondContact O-N 3.31Å; L69-G71 PolarHBondContact O-N 3.2Å; L69-K72 CarbonylContact O-C 3.56Å; L69-K72 WeakPolarHBondContact O-CA 3.42Å; L69-K72 WeakPolarHBondContact O-CB 3.37Å; L69-K72 PolarHBondContact O-N 2.95Å; L69-T73 PolarHBondContact O-N 2.95Å; L69-T73 PolarHBondContact O-OG1 3.28Å; L69-T73 VanDerWaalsContact O-OG1 3.08Å |
| 70 | R | 75.3 | Confident | 73.7 | Confident | 185 Ų | 185 | 87.8 Ų | 87.8 | 70% | 0.698 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60 | -44.4 | 177.2 | -73 | -178.3 | -179.2 | -159.1 | 0.7 | 112.2 | V66 H67 K72 T73 A74 | V66-R70 WeakPolarHBondContact O-CG 3.39Å; V66-R70 PolarHBondContact O-N 3.47Å; H67-R70 PolarHBondContact O-N 2.93Å; R70-K72 PolarHBondContact O-N 3.16Å; R70-T73 PolarHBondContact O-N 3.35Å; R70-A74 PolarHBondContact O-N 3.43Å; R70-A74 VanDerWaalsContact O-N 3.11Å |
| 71 | G | 78.2 | Confident | 74.2 | Confident | 38 Ų | 38 | 86.1 Ų | 86.1 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.7 | -29.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | H67 Q68 L69 K75 | H67-G71 PolarHBondContact O-N 3Å; Q68-G71 PolarHBondContact O-N 3.48Å; L69-G71 PolarHBondContact O-N 3.2Å; G71-K75 WeakPolarHBondContact O-CG 3.33Å; G71-K75 PolarHBondContact O-N 3.3Å |
| 72 | K | 69.7 | Low | 74.7 | Confident | 57 Ų | 57 | 88.5 Ų | 88.5 | 25% | 0.248 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -79 | -40.9 | 176.1 | -73.1 | 176.9 | -176 | -156.3 | 0 | 112.4 | W38 Q68 L69 R70 A74 K75 I76 | W38-K72 HydrophobicContact CD2-CD 4.49Å; W38-K72 HydrophobicContact CE3-CD 4.16Å; W38-K72 HydrophobicContact CH2-CG 4.49Å; W38-K72 HydrophobicContact CZ3-CD 4.34Å; W38-K72 HydrophobicContact CZ3-CG 4.33Å; Q68-K72 WeakPolarHBondContact O-CB 3.49Å; Q68-K72 WeakPolarHBondContact O-CG 3.36Å; Q68-K72 PolarHBondContact O-N 3.47Å; L69-K72 CarbonylContact O-C 3.56Å; L69-K72 WeakPolarHBondContact O-CA 3.42Å; L69-K72 WeakPolarHBondContact O-CB 3.37Å; L69-K72 PolarHBondContact O-N 2.95Å; R70-K72 PolarHBondContact O-N 3.16Å; K72-A74 VanDerWaalsContact C-N 3.3Å; K72-A74 PolarHBondContact O-N 3.49Å; K72-K75 WeakPolarHBondContact O-CB 3.44Å; K72-K75 PolarHBondContact O-N 2.93Å; K72-I76 WeakPolarHBondContact O-CG1 3.48Å; K72-I76 PolarHBondContact O-N 3.32Å |
| 73 | T | 74.9 | Confident | 75 | Confident | 63 Ų | 63 | 86.3 Ų | 86.3 | 39% | 0.387 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 173.3 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | L69 R70 K75 I76 E77 | L69-T73 PolarHBondContact O-N 2.95Å; L69-T73 PolarHBondContact O-OG1 3.28Å; L69-T73 VanDerWaalsContact O-OG1 3.08Å; R70-T73 PolarHBondContact O-N 3.35Å; T73-K75 PolarHBondContact O-N 3.04Å; T73-I76 PolarHBondContact O-N 2.92Å; T73-I76 VanDerWaalsContact O-N 3.08Å; T73-E77 WeakPolarHBondContact O-CG 3.47Å; T73-E77 PolarHBondContact O-N 2.99Å |
| 74 | A | 74.6 | Confident | 75.3 | Confident | 42 Ų | 42 | 88 Ų | 88 | 35% | 0.347 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.8 | -30 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R70 K72 K78 | R70-A74 PolarHBondContact O-N 3.43Å; R70-A74 VanDerWaalsContact O-N 3.11Å; K72-A74 VanDerWaalsContact C-N 3.3Å; K72-A74 PolarHBondContact O-N 3.49Å; A74-K78 WeakPolarHBondContact O-CG 3.48Å; A74-K78 PolarHBondContact O-N 3.02Å |
| 75 | K | 74.2 | Confident | 75.5 | Confident | 135 Ų | 135 | 91.4 Ų | 91.4 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -75.1 | -36.4 | 174.8 | -73.1 | 175.9 | -178.2 | 179.9 | 0 | 112 | G71 K72 T73 L79 | G71-K75 WeakPolarHBondContact O-CG 3.33Å; G71-K75 PolarHBondContact O-N 3.3Å; K72-K75 WeakPolarHBondContact O-CB 3.44Å; K72-K75 PolarHBondContact O-N 2.93Å; T73-K75 PolarHBondContact O-N 3.04Å; K75-L79 PolarHBondContact O-N 3.45Å |
| 76 | I | 74.1 | Confident | 75.8 | Confident | 101 Ų | 101 | 94.2 Ų | 94.2 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 175.3 | -67.1 | 169 | 0 | 0 | 0 | 110.2 | K72 T73 K78 L79 A80 | K72-I76 WeakPolarHBondContact O-CG1 3.48Å; K72-I76 PolarHBondContact O-N 3.32Å; T73-I76 PolarHBondContact O-N 2.92Å; T73-I76 VanDerWaalsContact O-N 3.08Å; I76-K78 PolarHBondContact O-N 2.87Å; I76-L79 WeakPolarHBondContact O-CB 3.29Å; I76-L79 PolarHBondContact O-N 3.49Å; I76-L79 VanDerWaalsContact O-N 3.14Å; I76-A80 PolarHBondContact O-N 3.45Å |
| 77 | E | 75.2 | Confident | 75.9 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 53% | 0.533 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 175.5 | -71.9 | 168.8 | 170.2 | 0 | 0 | 111.4 | T73 L79 A80 E81 | T73-E77 WeakPolarHBondContact O-CG 3.47Å; T73-E77 PolarHBondContact O-N 2.99Å; E77-L79 VanDerWaalsContact C-N 3.31Å; E77-L79 PolarHBondContact O-N 3.32Å; E77-A80 WeakPolarHBondContact O-CB 3.3Å; E77-A80 PolarHBondContact O-N 2.97Å; E77-A80 VanDerWaalsContact O-N 3.16Å; E77-E81 WeakPolarHBondContact O-CG 3.31Å; E77-E81 PolarHBondContact O-N 3.19Å |
| 78 | K | 76.9 | Confident | 75.8 | Confident | 134 Ų | 134 | 93.3 Ų | 93.3 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.9 | -37.3 | 174.1 | -77.4 | -177.2 | 178.7 | -172.2 | 0 | 113.5 | A74 I76 E81 H82 | A74-K78 WeakPolarHBondContact O-CG 3.48Å; A74-K78 PolarHBondContact O-N 3.02Å; I76-K78 PolarHBondContact O-N 2.87Å; K78-E81 PolarHBondContact O-N 3.39Å; K78-H82 PolarHBondContact O-CD2 3.02Å; K78-H82 PolarHBondContact O-N 2.94Å |
| 79 | L | 71.9 | Confident | 75.6 | Confident | 83 Ų | 83 | 93.9 Ų | 93.9 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 175.7 | -170 | 73.8 | 0 | 0 | 0 | 110.6 | T31 K75 I76 E77 E81 H82 V83 | T31-L79 HydrophobicContact CG2-CD2 4.02Å; K75-L79 PolarHBondContact O-N 3.45Å; I76-L79 WeakPolarHBondContact O-CB 3.29Å; I76-L79 PolarHBondContact O-N 3.49Å; I76-L79 VanDerWaalsContact O-N 3.14Å; E77-L79 VanDerWaalsContact C-N 3.31Å; E77-L79 PolarHBondContact O-N 3.32Å; L79-E81 VanDerWaalsContact C-N 3.35Å; L79-E81 PolarHBondContact O-N 3.37Å; L79-H82 WeakPolarHBondContact O-CB 3.49Å; L79-H82 PolarHBondContact O-N 3.04Å; L79-V83 WeakPolarHBondContact O-CG2 3.38Å; L79-V83 PolarHBondContact O-N 3.49Å |
| 80 | A | 74.9 | Confident | 75.4 | Confident | 51 Ų | 51 | 94.1 Ų | 94.1 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I76 E77 H82 V83 L84 | I76-A80 PolarHBondContact O-N 3.45Å; E77-A80 WeakPolarHBondContact O-CB 3.3Å; E77-A80 PolarHBondContact O-N 2.97Å; E77-A80 VanDerWaalsContact O-N 3.16Å; A80-H82 VanDerWaalsContact C-N 3.33Å; A80-H82 PolarHBondContact O-N 3.29Å; A80-V83 PolarHBondContact O-N 3.28Å; A80-L84 WeakPolarHBondContact O-CG 3.4Å; A80-L84 PolarHBondContact O-N 2.89Å |
| 81 | E | 82.8 | Confident | 75.2 | Confident | 103 Ų | 103 | 88.7 Ų | 88.7 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 173.9 | -72.2 | 175.3 | -175.5 | 0 | 0 | 113.1 | E77 K78 L79 R85 | E77-E81 WeakPolarHBondContact O-CG 3.31Å; E77-E81 PolarHBondContact O-N 3.19Å; K78-E81 PolarHBondContact O-N 3.39Å; L79-E81 VanDerWaalsContact C-N 3.35Å; L79-E81 PolarHBondContact O-N 3.37Å; E81-R85 PolarHBondContact O-N 3.49Å |
| 82 | H | 76 | Confident | 75 | Confident | 96 Ų | 96 | 95.6 Ų | 95.6 | 44% | 0.444 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 175.4 | -81.8 | -160.4 | 0 | 0 | 0 | 111.4 | K78 L79 A80 L84 R85 W86 | K78-H82 PolarHBondContact O-CD2 3.02Å; K78-H82 PolarHBondContact O-N 2.94Å; L79-H82 WeakPolarHBondContact O-CB 3.49Å; L79-H82 PolarHBondContact O-N 3.04Å; A80-H82 VanDerWaalsContact C-N 3.33Å; A80-H82 PolarHBondContact O-N 3.29Å; H82-L84 VanDerWaalsContact C-N 3.35Å; H82-L84 PolarHBondContact O-N 3.19Å; H82-R85 PolarHBondContact CD2-NH2 2.98Å; H82-R85 VanDerWaalsContact CD2-NH2 3.3Å; H82-R85 PolarHBondContact O-N 3.4Å; H82-W86 PolarHBondContact O-N 3.09Å |
| 83 | V | 73 | Confident | 74.9 | Confident | 81 Ų | 81 | 99.3 Ų | 99.3 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L79 A80 W86 N87 | L79-V83 WeakPolarHBondContact O-CG2 3.38Å; L79-V83 PolarHBondContact O-N 3.49Å; A80-V83 PolarHBondContact O-N 3.28Å; V83-W86 PolarHBondContact O-N 3.47Å; V83-N87 PolarHBondContact O-N 3.4Å |
| 84 | L | 77.5 | Confident | 74.4 | Confident | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.6 | -45.7 | 176 | -72.7 | 170.8 | 0 | 0 | 0 | 111.9 | A80 H82 W86 N87 D88 | A80-L84 WeakPolarHBondContact O-CG 3.4Å; A80-L84 PolarHBondContact O-N 2.89Å; H82-L84 VanDerWaalsContact C-N 3.35Å; H82-L84 PolarHBondContact O-N 3.19Å; L84-W86 VanDerWaalsContact C-N 3.29Å; L84-W86 PolarHBondContact O-N 2.99Å; L84-N87 WeakPolarHBondContact O-CB 3.43Å; L84-N87 PolarHBondContact O-N 3.35Å; L84-N87 VanDerWaalsContact O-N 3.16Å; L84-D88 PolarHBondContact O-N 3.35Å |
| 85 | R | 78.1 | Confident | 73.9 | Confident | 126 Ų | 126 | 108.6 Ų | 108.6 | 48% | 0.475 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 174.6 | -93 | -176.3 | -82.3 | 172.6 | -10 | 112.7 | E81 H82 D88 E89 | E81-R85 PolarHBondContact O-N 3.49Å; H82-R85 PolarHBondContact CD2-NH2 2.98Å; H82-R85 VanDerWaalsContact CD2-NH2 3.3Å; H82-R85 PolarHBondContact O-N 3.4Å; R85-D88 PolarHBondContact O-N 2.98Å; R85-E89 WeakPolarHBondContact O-CG 3.44Å; R85-E89 PolarHBondContact O-N 3.37Å |
| 86 | W | 77.8 | Confident | 72.6 | Confident | 98 Ų | 98 | 112 Ų | 112 | 37% | 0.371 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 176.2 | -78.4 | 14.2 | 0 | 0 | 0 | 112.1 | F24 Q27 H82 V83 L84 D88 E89 L90 | F24-W86 HydrophobicContact CD2-CZ3 4.21Å; Q27-W86 VanDerWaalsContact OE1-CH2 3.3Å; H82-W86 PolarHBondContact O-N 3.09Å; V83-W86 PolarHBondContact O-N 3.47Å; L84-W86 VanDerWaalsContact C-N 3.29Å; L84-W86 PolarHBondContact O-N 2.99Å; W86-D88 VanDerWaalsContact C-N 3.34Å; W86-E89 PolarHBondContact O-N 3.42Å; W86-L90 WeakPolarHBondContact O-CB 3.46Å; W86-L90 PolarHBondContact O-N 3.06Å |
| 87 | N | 75.4 | Confident | 71.4 | Confident | 83 Ų | 83 | 112 Ų | 112 | 44% | 0.444 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 173.7 | -173.6 | 77.5 | 0 | 0 | 0 | 111.1 | V83 L84 E89 L90 D91 | V83-N87 PolarHBondContact O-N 3.4Å; L84-N87 WeakPolarHBondContact O-CB 3.43Å; L84-N87 PolarHBondContact O-N 3.35Å; L84-N87 VanDerWaalsContact O-N 3.16Å; N87-E89 VanDerWaalsContact C-N 3.33Å; N87-E89 PolarHBondContact O-N 3.16Å; N87-L90 PolarHBondContact O-N 3.32Å; N87-D91 PolarHBondContact ND2-OD2 2.95Å; N87-D91 PolarHBondContact O-N 3Å |
| 88 | D | 77.8 | Confident | 70.3 | Confident | 81 Ų | 81 | 111.1 Ų | 111.1 | 43% | 0.433 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 178.4 | -65.9 | -14.8 | 0 | 0 | 0 | 112.9 | L84 R85 W86 R92 | L84-D88 PolarHBondContact O-N 3.35Å; R85-D88 PolarHBondContact O-N 2.98Å; W86-D88 VanDerWaalsContact C-N 3.34Å; D88-R92 WeakPolarHBondContact O-CB 3.34Å; D88-R92 VanDerWaalsContact O-CG 3.24Å; D88-R92 WeakPolarHBondContact O-CG 3.47Å; D88-R92 PolarHBondContact O-N 2.99Å |
| 89 | E | 73.3 | Confident | 69.2 | Low | 112 Ų | 112 | 108.2 Ų | 108.2 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 174.6 | -78 | 173.3 | -173.1 | 0 | 0 | 111.5 | R85 W86 N87 R92 E93 | R85-E89 WeakPolarHBondContact O-CG 3.44Å; R85-E89 PolarHBondContact O-N 3.37Å; W86-E89 PolarHBondContact O-N 3.42Å; N87-E89 VanDerWaalsContact C-N 3.33Å; N87-E89 PolarHBondContact O-N 3.16Å; E89-R92 PolarHBondContact O-N 2.95Å; E89-E93 PolarHBondContact O-N 3.29Å |
| 90 | L | 71.8 | Confident | 68 | Low | 84 Ų | 84 | 112.1 Ų | 112.1 | 44% | 0.44 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.1 | -42.7 | 179.1 | -147.5 | 138.9 | 0 | 0 | 0 | 111.1 | W86 N87 R92 E93 M94 | W86-L90 WeakPolarHBondContact O-CB 3.46Å; W86-L90 PolarHBondContact O-N 3.06Å; N87-L90 PolarHBondContact O-N 3.32Å; L90-R92 VanDerWaalsContact C-N 3.35Å; L90-R92 PolarHBondContact O-N 2.95Å; L90-E93 PolarHBondContact O-N 3.44Å; L90-M94 HydrophobicContact CD2-SD 3.81Å; L90-M94 WeakPolarHBondContact O-CB 3.24Å; L90-M94 VanDerWaalsContact O-CG 3.31Å; L90-M94 WeakPolarHBondContact O-CG 3.44Å; L90-M94 PolarHBondContact O-N 3.31Å |
| 91 | D | 71.5 | Confident | 66.7 | Low | 71 Ų | 71 | 121.7 Ų | 121.7 | 38% | 0.38 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.7 | -41.1 | 174.1 | -74.4 | -28.9 | 0 | 0 | 0 | 111.4 | N87 M94 E95 | N87-D91 PolarHBondContact ND2-OD2 2.95Å; N87-D91 PolarHBondContact O-N 3Å; D91-M94 PolarHBondContact O-N 3.23Å; D91-E95 WeakPolarHBondContact O-CB 3.44Å; D91-E95 WeakPolarHBondContact O-CG 3.46Å; D91-E95 PolarHBondContact O-N 3.25Å |
| 92 | R | 74.5 | Confident | 65 | Low | 184 Ų | 184 | 121.2 Ų | 121.2 | 69% | 0.694 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.3 | -37.7 | 175.4 | -76.5 | 174.7 | -172.7 | -179.5 | 6.2 | 113.6 | D88 E89 L90 M94 R96 | D88-R92 WeakPolarHBondContact O-CB 3.34Å; D88-R92 VanDerWaalsContact O-CG 3.24Å; D88-R92 WeakPolarHBondContact O-CG 3.47Å; D88-R92 PolarHBondContact O-N 2.99Å; E89-R92 PolarHBondContact O-N 2.95Å; L90-R92 VanDerWaalsContact C-N 3.35Å; L90-R92 PolarHBondContact O-N 2.95Å; R92-M94 VanDerWaalsContact C-N 3.29Å; R92-R96 PolarHBondContact O-N 2.96Å |
| 93 | E | 66.7 | Low | 63.5 | Low | 134 Ų | 134 | 122.4 Ų | 122.4 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.7 | -34.9 | 174.2 | -75.4 | -166.8 | 163.8 | 0 | 0 | 111.6 | E89 L90 | E89-E93 PolarHBondContact O-N 3.29Å; L90-E93 PolarHBondContact O-N 3.44Å |
| 94 | M | 63.7 | Low | 62.4 | Low | 142 Ų | 142 | 130.1 Ų | 130.1 | 70% | 0.7 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.2 | -34.7 | 176.1 | -72.4 | -176.9 | 60.5 | 0 | 0 | 113.5 | L90 D91 R92 R96 | L90-M94 HydrophobicContact CD2-SD 3.81Å; L90-M94 WeakPolarHBondContact O-CB 3.24Å; L90-M94 VanDerWaalsContact O-CG 3.31Å; L90-M94 WeakPolarHBondContact O-CG 3.44Å; L90-M94 PolarHBondContact O-N 3.31Å; D91-M94 PolarHBondContact O-N 3.23Å; R92-M94 VanDerWaalsContact C-N 3.29Å; M94-R96 VanDerWaalsContact C-N 3.31Å |
| 95 | E | 64 | Low | 60.9 | Low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -77.3 | -14.1 | 176.7 | -76.6 | -166.8 | 160.7 | 0 | 0 | 113.7 | D91 P97 | D91-E95 WeakPolarHBondContact O-CB 3.44Å; D91-E95 WeakPolarHBondContact O-CG 3.46Å; D91-E95 PolarHBondContact O-N 3.25Å; E95-P97 WeakPolarHBondContact O-CD 3.09Å |
| 96 | R | 46.8 | Very low | 59.5 | Low | 206 Ų | 206 | 129.5 Ų | 129.5 | 78% | 0.777 | 64% | 0.641 | S | S | * | * | trans | -62.6 | 108.7 | 179.3 | -157 | 176.3 | -170.1 | 179.7 | 4.2 | 109 | R92 M94 | R92-R96 PolarHBondContact O-N 2.96Å; M94-R96 VanDerWaalsContact C-N 3.31Å | ||
| 97 | P | 50.8 | Low | 58 | Low | 101 Ų | 101 | 130.9 Ų | 130.9 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | trans | -63.9 | 140.9 | -179 | -12.4 | 26.6 | 0 | 0 | 0 | 107.6 | E95 A99 | E95-P97 WeakPolarHBondContact O-CD 3.09Å; P97-A99 VanDerWaalsContact C-N 3.33Å; P97-A99 PolarHBondContact O-N 3.03Å | ||
| 98 | P | 51.6 | Low | 56.9 | Low | 96 Ų | 96 | 132.3 Ų | 132.3 | 62% | 0.623 | 68% | 0.675 | S | S | * | * | trans | -57.9 | 107.4 | 161.9 | 23.9 | -29.4 | 0 | 0 | 0 | 106.6 | H100 | P98-H100 PolarHBondContact O-N 3.33Å; P98-H100 VanDerWaalsContact O-N 3.16Å | ||
| 99 | A | 53.4 | Low | 55.7 | Low | 73 Ų | 73 | 132.8 Ų | 132.8 | 60% | 0.603 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -51.7 | 126.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | P97 | P97-A99 VanDerWaalsContact C-N 3.33Å; P97-A99 PolarHBondContact O-N 3.03Å |
| 100 | H | 47.6 | Very low | 54.6 | Low | 164 Ų | 164 | 133.6 Ų | 133.6 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | trans | 95.9 | 81.2 | -167.9 | -51.8 | -49.5 | 0 | 0 | 0 | 115.2 | P98 L102 | P98-H100 PolarHBondContact O-N 3.33Å; P98-H100 VanDerWaalsContact O-N 3.16Å; H100-L102 PolarHBondContact O-N 2.84Å | ||
| 101 | R | 45.7 | Very low | 53.9 | Low | 253 Ų | 253 | 133.5 Ų | 133.5 | 96% | 0.955 | 72% | 0.716 | S | S | * | * | trans | -54.5 | 96.2 | 136.5 | -71.6 | -176.4 | 178.7 | -173.7 | 0.1 | 107.5 | ||||
| 102 | L | 47.7 | Very low | 53.2 | Low | 93 Ų | 93 | 135.4 Ų | 135.4 | 49% | 0.487 | 73% | 0.732 | S | S | . | * | trans | -64.5 | 135.9 | 162.4 | -68.9 | 159.6 | 0 | 0 | 0 | 107.2 | Q2 H100 R104 | Q2-L102 VanDerWaalsContact CD-CD1 3.48Å; Q2-L102 HydrophobicContact CG-CD1 4.39Å; H100-L102 PolarHBondContact O-N 2.84Å; L102-R104 PolarHBondContact O-N 3.27Å | ||
| 103 | P | 44.9 | Very low | 52.3 | Low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -56.3 | 127.8 | 172.6 | 23 | -29.9 | 0 | 0 | 0 | 107.8 | S105 | P103-S105 PolarHBondContact O-N 3.23Š| ||
| 104 | R | 49.3 | Very low | 51.2 | Low | 243 Ų | 243 | 135.8 Ų | 135.8 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | trans | -52.5 | 114.5 | 173.9 | -77.3 | 177.6 | 166.4 | 172.3 | -5.2 | 107.5 | L102 S106 | L102-R104 PolarHBondContact O-N 3.27Å; R104-S106 PolarHBondContact O-N 3.1Å | ||
| 105 | S | 46.4 | Very low | 50.4 | Low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -63.9 | 123.5 | 168.4 | 63.9 | 0 | 0 | 0 | 0 | 107.4 | P103 T107 | P103-S105 PolarHBondContact O-N 3.23Å; S105-T107 PolarHBondContact O-N 3.48Å | ||
| 106 | S | 49.8 | Very low | 49.7 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -51.4 | 105.6 | 171.8 | -37.6 | 0 | 0 | 0 | 0 | 109.2 | R104 | R104-S106 PolarHBondContact O-N 3.1Š| ||
| 107 | T | 46.1 | Very low | 49.7 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -64.1 | 126.3 | 172 | -35.7 | 0 | 0 | 0 | 0 | 107.8 | S105 | S105-T107 PolarHBondContact O-N 3.48Š| ||
| 108 | P | 51 | Low | 49.6 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | trans | -63.5 | 146.6 | 164.4 | -9.3 | 24.8 | 0 | 0 | 0 | 108.5 | ||||
| 109 | A | 53 | Low | 49.4 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | -45 | 148.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A111 | A109-A111 PolarHBondContact O-N 3.16Š| ||
| 110 | P | 51.1 | Low | 49 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128.3 | 178.2 | 23.5 | -31.5 | 0 | 0 | 0 | 110.5 | ||
| 111 | A | 57.1 | Low | 49 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 148.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | A109 | A109-A111 PolarHBondContact O-N 3.16Š|
| 112 | P | 56.4 | Low | 49 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 151 | -178.7 | 24.8 | -33.2 | 0 | 0 | 0 | 111.3 | F114 | P112-F114 PolarHBondContact O-N 2.81Š|
| 113 | P | 55.8 | Low | 49 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 135.8 | -177.2 | 24.5 | -32.5 | 0 | 0 | 0 | 110.5 | D115 | P113-D115 PolarHBondContact O-N 2.93Š|
| 114 | F | 43.3 | Very low | 48.8 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 134.7 | 177 | -71.5 | -90.8 | 0 | 0 | 0 | 111 | P112 | P112-F114 PolarHBondContact O-N 2.81Š|
| 115 | D | 45.4 | Very low | 48.2 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 127 | 174.6 | -172 | 14.2 | 0 | 0 | 0 | 110 | P113 S117 | P113-D115 PolarHBondContact O-N 2.93Å; D115-S117 PolarHBondContact O-N 2.96Å; D115-S117 PolarHBondContact OD2-OG 3.26Å |
| 116 | N | 49.6 | Very low | 48 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -73.8 | 13.1 | -174.1 | -99.9 | -12.1 | 0 | 0 | 0 | 113.6 | V118 | N116-V118 VanDerWaalsContact C-N 3.33Å; N116-V118 PolarHBondContact O-N 3.01Å |
| 117 | S | 47.8 | Very low | 47.9 | Very low | 73 Ų | 73 | 151 Ų | 151 | 51% | 0.51 | 81% | 0.805 | S | S | . | * | G | 310 helix | trans | -81 | -6.3 | -175.7 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | D115 | D115-S117 PolarHBondContact O-N 2.96Å; D115-S117 PolarHBondContact OD2-OG 3.26Å |
| 118 | V | 48.6 | Very low | 48 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -95 | -11.9 | -177 | -169.2 | 0 | 0 | 0 | 0 | 113.4 | N116 Y120 | N116-V118 VanDerWaalsContact C-N 3.33Å; N116-V118 PolarHBondContact O-N 3.01Å; V118-Y120 VanDerWaalsContact C-N 3.27Å; V118-Y120 PolarHBondContact O-N 3.2Å |
| 119 | A | 46.6 | Very low | 47.8 | Very low | 86 Ų | 86 | 154.3 Ų | 154.3 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -3.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 120 | Y | 45 | Very low | 47.5 | Very low | 214 Ų | 214 | 158.1 Ų | 158.1 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 9.5 | -169.9 | -106 | -81.6 | 0 | 0 | 0 | 116.5 | V118 | V118-Y120 VanDerWaalsContact C-N 3.27Å; V118-Y120 PolarHBondContact O-N 3.2Å |
| 121 | Y | 48.4 | Very low | 47.3 | Very low | 211 Ų | 211 | 159.9 Ų | 159.9 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -109.3 | 10.8 | -176.2 | -96.5 | -79.7 | 0 | 0 | 0 | 116.3 | ||
| 122 | F | 46.7 | Very low | 46.6 | Very low | 210 Ų | 210 | 165.1 Ų | 165.1 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -123.3 | 9.7 | -179.2 | -96.6 | -77.4 | 0 | 0 | 0 | 116.4 | ||
| 123 | E | 45.7 | Very low | 45.9 | Very low | 179 Ų | 179 | 168.9 Ų | 168.9 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -114.4 | 2.5 | -178.6 | -97.7 | -171.1 | 165.8 | 0 | 0 | 117.2 | ||
| 124 | H | 42.4 | Very low | 45.2 | Very low | 181 Ų | 181 | 172.2 Ų | 172.2 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -144.1 | 101.2 | 173 | -75.4 | -68.2 | 0 | 0 | 0 | 112.8 | ||||
| 125 | Q | 36.8 | Very low | 45.3 | Very low | 196 Ų | 196 | 169.9 Ų | 169.9 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | -179.9 | 84.7 | 125.9 | -95.2 | 173.1 | 20.6 | 0 | 0 | 110.2 | |||||
| 126 | F | 40.9 | Very low | 45.3 | Very low | 290 Ų | 290 | 173.8 Ų | 173.8 | 100% | 1.272 | 84% | 0.838 | S | S | * | * | -97.1 | 0 | 127.8 | -84.5 | -79.5 | 0 | 0 | 0 | 107 |
Retrieved 126 of 126 residues in 35.9 ms
(Link to these results)