| 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 | 39.3 | Very low | 50.3 | Low | 253 Ų | 253 | 118.2 Ų | 118.2 | 100% | 1.246 | 74% | 0.744 | S | S | * | * | 0 | 102.1 | 0 | -72.1 | 166.3 | 103.5 | 0 | 0 | 106.9 | |||||
| 2 | A | 41.3 | Very low | 50.1 | Low | 108 Ų | 108 | 120.9 Ų | 120.9 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | trans | -103.8 | 112.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3 | G | 43.5 | Very low | 50.2 | Low | 83 Ų | 83 | 121.6 Ų | 121.6 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | -97.1 | 100 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | G | 55.9 | Low | 50 | Low | 64 Ų | 64 | 121.1 Ų | 121.1 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 156.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 5 | P | 56.4 | Low | 50 | Low | 122 Ų | 122 | 117.9 Ų | 117.9 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 149.2 | -176 | 28.8 | -33.5 | 0 | 0 | 0 | 111.8 | N7 | P5-N7 PolarHBondContact O-N 3.22Š|
| 6 | P | 53.4 | Low | 50 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133.7 | 179.4 | 27.1 | -31.7 | 0 | 0 | 0 | 111 | T8 | P6-T8 PolarHBondContact O-N 3.13Š|
| 7 | N | 52.4 | Low | 49.8 | Very low | 121 Ų | 121 | 116.2 Ų | 116.2 | 65% | 0.647 | 69% | 0.693 | S | S | * | * | trans | -79.1 | 92.3 | 179.1 | -179.6 | 3.2 | 0 | 0 | 0 | 109.9 | P5 K9 | P5-N7 PolarHBondContact O-N 3.22Å; N7-K9 PolarHBondContact O-N 3.3Å; N7-K9 VanDerWaalsContact O-N 3.09Å; N7-K9 PolarHBondContact OD1-N 3Å | ||
| 8 | T | 55.9 | Low | 49.9 | Very low | 110 Ų | 110 | 116.9 Ų | 116.9 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -0.1 | -176.2 | 51.9 | 0 | 0 | 0 | 0 | 115.1 | P6 | P6-T8 PolarHBondContact O-N 3.13Š|
| 9 | K | 51.9 | Low | 49.9 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 66% | 0.657 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -30.8 | -179.5 | -166.5 | 177.2 | 177.5 | -173.6 | 0 | 113 | N7 | N7-K9 PolarHBondContact O-N 3.3Å; N7-K9 VanDerWaalsContact O-N 3.09Å; N7-K9 PolarHBondContact OD1-N 3Å |
| 10 | A | 54.3 | Low | 49.9 | Very low | 60 Ų | 60 | 119.2 Ų | 119.2 | 50% | 0.496 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -78.4 | -26.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 11 | E | 48.5 | Very low | 49.7 | Very low | 118 Ų | 118 | 119 Ų | 119 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -78.6 | -22.8 | -178.7 | -63.6 | -176.4 | 160.2 | 0 | 0 | 113 | M14 S15 | E11-M14 HydrophobicContact CB-CE 3.88Å; E11-M14 HydrophobicContact CG-CE 3.93Å; E11-M14 WeakPolarHBondContact O-CG 3.44Å; E11-S15 PolarHBondContact O-OG 3.5Å |
| 12 | M | 48 | Very low | 50 | Low | 151 Ų | 151 | 113.1 Ų | 113.1 | 74% | 0.744 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.3 | -32.6 | 179 | -166.2 | 164 | -141.7 | 0 | 0 | 112.7 | L16 | M12-L16 PolarHBondContact O-N 3.3Å |
| 13 | E | 51.7 | Low | 50.3 | Low | 130 Ų | 130 | 110.2 Ų | 110.2 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.6 | -35.4 | 177.1 | -76.6 | -179.9 | 156.3 | 0 | 0 | 112 | L16 T17 | E13-L16 PolarHBondContact O-N 3.33Å; E13-T17 PolarHBondContact O-N 2.86Å; E13-T17 PolarHBondContact O-OG1 3.33Å |
| 14 | M | 46.7 | Very low | 50.4 | Low | 114 Ų | 114 | 115.8 Ų | 115.8 | 56% | 0.562 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67 | -35.1 | 174.3 | 58.3 | -174.9 | -147.4 | 0 | 0 | 112.5 | E11 T17 E18 | E11-M14 HydrophobicContact CB-CE 3.88Å; E11-M14 HydrophobicContact CG-CE 3.93Å; E11-M14 WeakPolarHBondContact O-CG 3.44Å; M14-T17 PolarHBondContact O-N 3.42Å; M14-E18 PolarHBondContact O-N 3.46Å |
| 15 | S | 50.2 | Low | 50 | Low | 74 Ų | 74 | 120.1 Ų | 120.1 | 52% | 0.517 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.4 | -38.5 | 174.8 | -67.6 | 0 | 0 | 0 | 0 | 113 | E11 T17 E18 E19 | E11-S15 PolarHBondContact O-OG 3.5Å; S15-T17 VanDerWaalsContact C-N 3.31Å; S15-T17 PolarHBondContact O-N 2.96Å; S15-E18 PolarHBondContact O-N 2.89Å; S15-E19 PolarHBondContact O-N 3.46Å; S15-E19 VanDerWaalsContact O-N 3.16Å |
| 16 | L | 50.5 | Low | 49.7 | Very low | 117 Ų | 117 | 115.9 Ų | 115.9 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.8 | -32.6 | -179.3 | -156.3 | 87.2 | 0 | 0 | 0 | 112.2 | M12 E13 L20 | M12-L16 PolarHBondContact O-N 3.3Å; E13-L16 PolarHBondContact O-N 3.33Å; L16-L20 PolarHBondContact O-N 2.91Å |
| 17 | T | 47.1 | Very low | 49.7 | Very low | 90 Ų | 90 | 116.7 Ų | 116.7 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79.6 | -26.9 | -178.3 | -30.5 | 0 | 0 | 0 | 0 | 112.2 | E13 M14 S15 N21 | E13-T17 PolarHBondContact O-N 2.86Å; E13-T17 PolarHBondContact O-OG1 3.33Å; M14-T17 PolarHBondContact O-N 3.42Å; S15-T17 VanDerWaalsContact C-N 3.31Å; S15-T17 PolarHBondContact O-N 2.96Å; T17-N21 PolarHBondContact O-ND2 2.83Å |
| 18 | E | 51.7 | Low | 49.6 | Very low | 128 Ų | 128 | 116.1 Ų | 116.1 | 60% | 0.598 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -78.7 | -34.5 | 175.1 | -163.4 | 162.1 | 165.3 | 0 | 0 | 112 | M14 S15 L20 N21 H22 | M14-E18 PolarHBondContact O-N 3.46Å; S15-E18 PolarHBondContact O-N 2.89Å; E18-L20 PolarHBondContact O-N 3.42Å; E18-N21 PolarHBondContact O-N 3.41Å; E18-H22 PolarHBondContact O-ND1 2.98Å |
| 19 | E | 49.1 | Very low | 49.6 | Very low | 153 Ų | 153 | 117.6 Ų | 117.6 | 72% | 0.715 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.4 | -33.5 | 177.2 | -143.4 | -163 | 120.8 | 0 | 0 | 112.9 | S15 N21 H22 G23 | S15-E19 PolarHBondContact O-N 3.46Å; S15-E19 VanDerWaalsContact O-N 3.16Å; E19-N21 VanDerWaalsContact C-N 3.32Å; E19-N21 PolarHBondContact O-N 2.92Å; E19-H22 PolarHBondContact O-N 2.86Å; E19-G23 PolarHBondContact O-N 3.07Å |
| 20 | L | 49.8 | Very low | 49.8 | Very low | 126 Ų | 126 | 116.4 Ų | 116.4 | 66% | 0.66 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.6 | -24.9 | 178.1 | -91 | 158.5 | 0 | 0 | 0 | 114 | L16 E18 | L16-L20 PolarHBondContact O-N 2.91Å; E18-L20 PolarHBondContact O-N 3.42Å |
| 21 | N | 46.2 | Very low | 49.9 | Very low | 116 Ų | 116 | 120 Ų | 120 | 62% | 0.62 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -86.5 | -29.4 | 178.6 | -83 | -51.1 | 0 | 0 | 0 | 113 | T17 E18 E19 | T17-N21 PolarHBondContact O-ND2 2.83Å; E18-N21 PolarHBondContact O-N 3.41Å; E19-N21 VanDerWaalsContact C-N 3.32Å; E19-N21 PolarHBondContact O-N 2.92Å |
| 22 | H | 46.3 | Very low | 50.4 | Low | 129 Ų | 129 | 119.6 Ų | 119.6 | 60% | 0.597 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -80.6 | -28.6 | -179.4 | -69.5 | 89.9 | 0 | 0 | 0 | 113.3 | E18 E19 R24 | E18-H22 PolarHBondContact O-ND1 2.98Å; E19-H22 PolarHBondContact O-N 2.86Å; H22-R24 VanDerWaalsContact C-N 3.31Å; H22-R24 PolarHBondContact O-N 2.88Å |
| 23 | G | 45.8 | Very low | 51.1 | Low | 47 Ų | 47 | 115.9 Ų | 115.9 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.4 | -20.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E19 | E19-G23 PolarHBondContact O-N 3.07Å |
| 24 | R | 46 | Very low | 51.7 | Low | 200 Ų | 200 | 114.4 Ų | 114.4 | 76% | 0.755 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -87.8 | -24.3 | -173.6 | -154 | 175.7 | -163.3 | -122.9 | 2.6 | 113.8 | H22 | H22-R24 VanDerWaalsContact C-N 3.31Å; H22-R24 PolarHBondContact O-N 2.88Å |
| 25 | Q | 47.2 | Very low | 52.3 | Low | 156 Ų | 156 | 111.9 Ų | 111.9 | 73% | 0.729 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -79.5 | -32.9 | -175.2 | -165.8 | 169.9 | 0.4 | 0 | 0 | 112.5 | ||
| 26 | G | 51.5 | Low | 52.8 | Low | 32 Ų | 32 | 113.5 Ų | 113.5 | 33% | 0.33 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.5 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N28 Q29 E30 | G26-N28 VanDerWaalsContact C-N 3.31Å; G26-N28 PolarHBondContact O-N 3.19Å; G26-Q29 PolarHBondContact O-N 2.67Å; G26-E30 WeakPolarHBondContact O-CG 3.22Å; G26-E30 PolarHBondContact O-N 3.35Å |
| 27 | Q | 52.6 | Low | 53.5 | Low | 127 Ų | 127 | 114.9 Ų | 114.9 | 59% | 0.593 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.1 | -34.6 | -178.9 | -74.8 | -172.9 | -26 | 0 | 0 | 113.2 | H31 | Q27-H31 WeakPolarHBondContact O-CB 3.45Å; Q27-H31 PolarHBondContact O-CD2 2.86Å; Q27-H31 VanDerWaalsContact O-CD2 3.25Å; Q27-H31 PolarHBondContact O-N 2.89Å; Q27-H31 VanDerWaalsContact O-N 3.11Å |
| 28 | N | 51.6 | Low | 54.3 | Low | 110 Ų | 110 | 117.4 Ų | 117.4 | 59% | 0.588 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.3 | -39.2 | 179.9 | -159.3 | -70.2 | 0 | 0 | 0 | 111.6 | G26 L32 | G26-N28 VanDerWaalsContact C-N 3.31Å; G26-N28 PolarHBondContact O-N 3.19Å; N28-L32 WeakPolarHBondContact O-CB 3.5Å; N28-L32 PolarHBondContact O-N 3.42Å |
| 29 | Q | 54.2 | Low | 54.5 | Low | 141 Ų | 141 | 118.7 Ų | 118.7 | 66% | 0.659 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.7 | -39.9 | -179.6 | -164.6 | 170.7 | 55.9 | 0 | 0 | 111.8 | G26 L32 V33 | G26-Q29 PolarHBondContact O-N 2.67Å; Q29-L32 WeakPolarHBondContact O-CB 3.31Å; Q29-L32 PolarHBondContact O-N 2.87Å; Q29-V33 WeakPolarHBondContact O-CG2 3.43Å; Q29-V33 PolarHBondContact O-N 3.2Å |
| 30 | E | 57.6 | Low | 54.8 | Low | 125 Ų | 125 | 118 Ų | 118 | 58% | 0.584 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.8 | -43.2 | 176.6 | -65.2 | 175.7 | -158.3 | 0 | 0 | 111.9 | G26 L32 V33 I34 | G26-E30 WeakPolarHBondContact O-CG 3.22Å; G26-E30 PolarHBondContact O-N 3.35Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 3.32Å; E30-V33 PolarHBondContact O-N 2.94Å; E30-I34 WeakPolarHBondContact O-CD1 3.43Å; E30-I34 WeakPolarHBondContact O-CG1 3.25Å; E30-I34 PolarHBondContact O-N 2.98Å |
| 31 | H | 55.1 | Low | 54.6 | Low | 137 Ų | 137 | 114.7 Ų | 114.7 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.3 | -34.5 | 174.6 | -88.6 | -85.9 | 0 | 0 | 0 | 112.5 | Q27 A35 | Q27-H31 WeakPolarHBondContact O-CB 3.45Å; Q27-H31 PolarHBondContact O-CD2 2.86Å; Q27-H31 VanDerWaalsContact O-CD2 3.25Å; Q27-H31 PolarHBondContact O-N 2.89Å; Q27-H31 VanDerWaalsContact O-N 3.11Å; H31-A35 WeakPolarHBondContact O-CB 3.44Å; H31-A35 PolarHBondContact O-N 3.33Å |
| 32 | L | 59 | Low | 54.9 | Low | 108 Ų | 108 | 114 Ų | 114 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.4 | -45.5 | 175.5 | -140.2 | 88.9 | 0 | 0 | 0 | 111.4 | N28 Q29 E30 I34 A35 E36 | N28-L32 WeakPolarHBondContact O-CB 3.5Å; N28-L32 PolarHBondContact O-N 3.42Å; Q29-L32 WeakPolarHBondContact O-CB 3.31Å; Q29-L32 PolarHBondContact O-N 2.87Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 3.32Å; L32-I34 PolarHBondContact O-N 3.47Å; L32-A35 PolarHBondContact O-N 2.87Å; L32-E36 WeakPolarHBondContact O-CB 3.3Å; L32-E36 PolarHBondContact O-N 3.43Å |
| 33 | V | 63.3 | Low | 55.1 | Low | 73 Ų | 73 | 119.1 Ų | 119.1 | 44% | 0.442 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.3 | -38.3 | 179.1 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | Q29 E30 E36 M37 | Q29-V33 WeakPolarHBondContact O-CG2 3.43Å; Q29-V33 PolarHBondContact O-N 3.2Å; E30-V33 PolarHBondContact O-N 2.94Å; V33-E36 PolarHBondContact O-N 3.2Å; V33-M37 HydrophobicContact CG1-SD 4.45Å; V33-M37 WeakPolarHBondContact O-CB 3.39Å; V33-M37 WeakPolarHBondContact O-CG 3.45Å; V33-M37 PolarHBondContact O-N 2.91Å |
| 34 | I | 64.3 | Low | 55.1 | Low | 100 Ų | 100 | 122.1 Ų | 122.1 | 51% | 0.513 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.3 | -40.9 | 176.6 | -67.5 | 163.7 | 0 | 0 | 0 | 111.1 | E30 L32 M38 | E30-I34 WeakPolarHBondContact O-CD1 3.43Å; E30-I34 WeakPolarHBondContact O-CG1 3.25Å; E30-I34 PolarHBondContact O-N 2.98Å; L32-I34 PolarHBondContact O-N 3.47Å; I34-M38 PolarHBondContact O-N 2.91Å |
| 35 | A | 60.2 | Low | 55.1 | Low | 60 Ų | 60 | 120.9 Ų | 120.9 | 50% | 0.496 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.7 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | H31 L32 M37 M38 E39 | H31-A35 WeakPolarHBondContact O-CB 3.44Å; H31-A35 PolarHBondContact O-N 3.33Å; L32-A35 PolarHBondContact O-N 2.87Å; A35-M37 PolarHBondContact O-N 3.38Å; A35-M38 PolarHBondContact O-N 3.35Å; A35-E39 PolarHBondContact O-N 3.15Å |
| 36 | E | 60.9 | Low | 54.9 | Low | 109 Ų | 109 | 116.9 Ų | 116.9 | 51% | 0.509 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.4 | -40 | 178.5 | -169.7 | 176.6 | 175.8 | 0 | 0 | 112 | L32 V33 M38 E39 H40 | L32-E36 WeakPolarHBondContact O-CB 3.3Å; L32-E36 PolarHBondContact O-N 3.43Å; V33-E36 PolarHBondContact O-N 3.2Å; E36-M38 VanDerWaalsContact C-N 3.31Å; E36-M38 PolarHBondContact O-N 3.48Å; E36-E39 PolarHBondContact O-N 2.85Å; E36-H40 PolarHBondContact O-CD2 3Å; E36-H40 PolarHBondContact O-N 3.47Å |
| 37 | M | 63.2 | Low | 54.6 | Low | 146 Ų | 146 | 120.2 Ų | 120.2 | 72% | 0.719 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.8 | -28.4 | 176.3 | -73.9 | -170.5 | 79.7 | 0 | 0 | 113.5 | V33 A35 G41 | V33-M37 HydrophobicContact CG1-SD 4.45Å; V33-M37 WeakPolarHBondContact O-CB 3.39Å; V33-M37 WeakPolarHBondContact O-CG 3.45Å; V33-M37 PolarHBondContact O-N 2.91Å; A35-M37 PolarHBondContact O-N 3.38Å; M37-G41 PolarHBondContact O-N 3.47Å |
| 38 | M | 64.9 | Low | 54.1 | Low | 142 Ų | 142 | 120 Ų | 120 | 70% | 0.7 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.2 | -32.9 | 175.7 | -75.1 | -174.7 | 59.7 | 0 | 0 | 112.8 | I34 A35 E36 S42 | I34-M38 PolarHBondContact O-N 2.91Å; A35-M38 PolarHBondContact O-N 3.35Å; E36-M38 VanDerWaalsContact C-N 3.31Å; E36-M38 PolarHBondContact O-N 3.48Å; M38-S42 PolarHBondContact O-OG 2.89Å |
| 39 | E | 55.7 | Low | 53.9 | Low | 156 Ų | 156 | 124.3 Ų | 124.3 | 73% | 0.729 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -74.5 | -36.6 | -177.5 | -153.1 | -171.8 | 159.6 | 0 | 0 | 112.3 | A35 E36 | A35-E39 PolarHBondContact O-N 3.15Å; E36-E39 PolarHBondContact O-N 2.85Å |
| 40 | H | 54.9 | Low | 53.2 | Low | 137 Ų | 137 | 126.8 Ų | 126.8 | 63% | 0.634 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -86.7 | -20.6 | 179.3 | -68.9 | -67.9 | 0 | 0 | 0 | 114.6 | E36 S42 | E36-H40 PolarHBondContact O-CD2 3Å; E36-H40 PolarHBondContact O-N 3.47Å; H40-S42 PolarHBondContact O-N 3.25Å |
| 41 | G | 46.8 | Very low | 52.7 | Low | 58 Ų | 58 | 132 Ų | 132 | 60% | 0.598 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -14.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M37 | M37-G41 PolarHBondContact O-N 3.47Š|
| 42 | S | 51.5 | Low | 51.8 | Low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -0.1 | -171.3 | -57.7 | 0 | 0 | 0 | 0 | 114.4 | M38 H40 | M38-S42 PolarHBondContact O-OG 2.89Å; H40-S42 PolarHBondContact O-N 3.25Å |
| 43 | R | 50.2 | Low | 51.1 | Low | 238 Ų | 238 | 139.4 Ų | 139.4 | 90% | 0.898 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 11.6 | -172 | -146.5 | -176.3 | -111.2 | -141.5 | 0.6 | 115.6 | ||
| 44 | S | 46 | Very low | 49.8 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -2.8 | 179.2 | 83.2 | 0 | 0 | 0 | 0 | 115.7 | G46 | S44-G46 PolarHBondContact O-N 3.44Š|
| 45 | L | 46.6 | Very low | 48.6 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -99.5 | 60.1 | 179.2 | -110.4 | 132.1 | 0 | 0 | 0 | 111.2 | ||
| 46 | G | 43.1 | Very low | 47.4 | Very low | 73 Ų | 73 | 152.6 Ų | 152.6 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -161.2 | 37.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117 | S44 | S44-G46 PolarHBondContact O-N 3.44Š| ||
| 47 | A | 45.4 | Very low | 46.4 | Very low | 101 Ų | 101 | 156 Ų | 156 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -166.7 | 89.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 48 | S | 40.8 | Very low | 45 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -164 | 65.9 | 142.3 | -163.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 49 | Q | 48.9 | Very low | 43.5 | Very low | 201 Ų | 201 | 151.9 Ų | 151.9 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | trans | -97.8 | 88.4 | 162.5 | -166.9 | -178.5 | 13.2 | 0 | 0 | 107.1 | ||||
| 50 | K | 39.1 | Very low | 42.2 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -139.5 | 96.4 | 168.7 | -156.4 | 174.9 | -176 | -179.7 | 0 | 111 | ||||
| 51 | R | 47.3 | Very low | 41.5 | Very low | 233 Ų | 233 | 147.7 Ų | 147.7 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | 30.3 | 113.1 | 148.7 | -77 | -175.4 | 170.4 | -169.2 | -0.8 | 116.9 | ||||
| 52 | Q | 36.6 | Very low | 40.9 | Very low | 205 Ų | 205 | 149 Ų | 149 | 96% | 0.958 | 83% | 0.834 | S | S | * | * | -136.6 | 94.3 | 128.3 | -115.7 | 174.7 | -15 | 0 | 0 | 109.6 | |||||
| 53 | K | 43.6 | Very low | 40.9 | Very low | 197 Ų | 197 | 150.2 Ų | 150.2 | 86% | 0.857 | 84% | 0.842 | S | S | * | * | trans | -83.7 | 106.8 | 164 | -178.4 | -174.6 | -177.8 | -170.2 | 0 | 106 | ||||
| 54 | L | 36.6 | Very low | 40.4 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 84% | 0.843 | 84% | 0.837 | S | S | * | * | trans | -142.6 | 108.3 | 149.4 | -159.2 | 79.9 | 0 | 0 | 0 | 107.3 | ||||
| 55 | E | 37.4 | Very low | 40.1 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 72% | 0.715 | 84% | 0.838 | S | S | * | * | trans | -57.6 | 139.2 | 164 | -84.3 | -146.2 | 119.1 | 0 | 0 | 110 | ||||
| 56 | Q | 36.6 | Very low | 39.8 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -138.5 | 120 | 136.3 | -106.5 | 175.6 | -15.7 | 0 | 0 | 109.1 | ||||
| 57 | K | 38.3 | Very low | 39.7 | Very low | 182 Ų | 182 | 151 Ų | 151 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -89.2 | 133 | -173.2 | 175.9 | -176.5 | 175.4 | -176.1 | 0 | 109.9 | ||||
| 58 | A | 34.2 | Very low | 39.3 | Very low | 89 Ų | 89 | 157.1 Ų | 157.1 | 74% | 0.736 | 83% | 0.832 | S | S | * | * | 138.7 | 127.4 | 127 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 59 | A | 33 | Very low | 39.9 | Very low | 111 Ų | 111 | 157.2 Ų | 157.2 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | trans | 74.5 | 124.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 60 | G | 29.5 | Very low | 39.7 | Very low | 77 Ų | 77 | 156.3 Ų | 156.3 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 137.6 | 93.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 61 | S | 40.5 | Very low | 39.7 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -48.8 | 131.1 | 161.1 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 62 | A | 34 | Very low | 39.6 | Very low | 86 Ų | 86 | 145.8 Ų | 145.8 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | -172.3 | 126.1 | 138.5 | 0 | 0 | 0 | 0 | 0 | 111 | A64 | A62-A64 PolarHBondContact O-N 3.2Å; A62-A64 VanDerWaalsContact O-N 3.13Å | ||
| 63 | S | 50.7 | Low | 39.9 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -46.2 | 110.2 | 162.6 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 64 | A | 39.2 | Very low | 40.1 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -100.8 | 87.4 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | A62 R66 | A62-A64 PolarHBondContact O-N 3.2Å; A62-A64 VanDerWaalsContact O-N 3.13Å; A64-R66 PolarHBondContact O-N 3.32Å | ||
| 65 | K | 41.1 | Very low | 40 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | trans | -43.3 | 113.2 | 161.9 | -155.7 | 174.7 | -171.6 | 179 | 0 | 109.2 | V67 | K65-V67 VanDerWaalsContact C-N 3.27Å; K65-V67 HydrophobicContact CB-CG2 4.42Å; K65-V67 HydrophobicContact CD-CG2 4.38Å; K65-V67 HydrophobicContact CG-CG2 4.17Å; K65-V67 PolarHBondContact O-N 2.98Å | ||
| 66 | R | 40.9 | Very low | 40.1 | Very low | 233 Ų | 233 | 144.8 Ų | 144.8 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -72.7 | 83.1 | 175.6 | -171.7 | -176.1 | -69.4 | -179.8 | -1.4 | 109 | A64 | A64-R66 PolarHBondContact O-N 3.32Š| ||
| 67 | V | 39.7 | Very low | 40.3 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 61% | 0.612 | 81% | 0.81 | S | S | * | * | trans | -82.9 | 118.7 | 172.6 | 173.6 | 0 | 0 | 0 | 0 | 107.9 | K65 N69 | K65-V67 VanDerWaalsContact C-N 3.27Å; K65-V67 HydrophobicContact CB-CG2 4.42Å; K65-V67 HydrophobicContact CD-CG2 4.38Å; K65-V67 HydrophobicContact CG-CG2 4.17Å; K65-V67 PolarHBondContact O-N 2.98Å; V67-N69 PolarHBondContact O-N 3.38Å; V67-N69 VanDerWaalsContact O-N 3.15Å | ||
| 68 | W | 36.9 | Very low | 40.3 | Very low | 231 Ų | 231 | 145.3 Ų | 145.3 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | -73.3 | 98.4 | 176.3 | -135.9 | -64.8 | 0 | 0 | 0 | 108.9 | ||||
| 69 | N | 54.3 | Low | 40.5 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 67% | 0.668 | 82% | 0.819 | S | S | * | * | trans | -97.2 | 88.6 | 171.1 | 58.9 | -31.2 | 0 | 0 | 0 | 109.8 | V67 T71 | V67-N69 PolarHBondContact O-N 3.38Å; V67-N69 VanDerWaalsContact O-N 3.15Å; N69-T71 VanDerWaalsContact C-N 3.34Å; N69-T71 PolarHBondContact O-N 2.89Å | ||
| 70 | M | 44.5 | Very low | 40.7 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | -61.9 | 98.2 | 158.2 | -96.5 | -175.7 | 70.3 | 0 | 0 | 108.3 | ||||
| 71 | T | 38.4 | Very low | 41.3 | Very low | 108 Ų | 108 | 150 Ų | 150 | 66% | 0.663 | 82% | 0.817 | S | S | * | * | trans | -102.2 | 111.9 | 170.9 | -47.5 | 0 | 0 | 0 | 0 | 108 | N69 T73 | N69-T71 VanDerWaalsContact C-N 3.34Å; N69-T71 PolarHBondContact O-N 2.89Å; T71-T73 PolarHBondContact O-N 3.4Å | ||
| 72 | A | 45.3 | Very low | 41.5 | Very low | 96 Ų | 96 | 151.7 Ų | 151.7 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -54.5 | 116.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R74 | A72-R74 PolarHBondContact O-N 3.42Å; A72-R74 VanDerWaalsContact O-N 3.09Å | ||
| 73 | T | 43.8 | Very low | 41.9 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -77.6 | 96.2 | 167.2 | 45.2 | 0 | 0 | 0 | 0 | 108.6 | T71 S75 | T71-T73 PolarHBondContact O-N 3.4Å; T73-S75 PolarHBondContact O-N 3.08Å | ||
| 74 | R | 46.4 | Very low | 41.3 | Very low | 244 Ų | 244 | 155.3 Ų | 155.3 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -57.3 | 93.8 | 163.9 | -175.1 | -175.2 | -163.3 | -174.4 | 5.7 | 109.1 | A72 | A72-R74 PolarHBondContact O-N 3.42Å; A72-R74 VanDerWaalsContact O-N 3.09Å | ||
| 75 | S | 36.1 | Very low | 41.2 | Very low | 116 Ų | 116 | 156.9 Ų | 156.9 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -76.8 | 120.3 | 169.1 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | T73 K77 | T73-S75 PolarHBondContact O-N 3.08Å; S75-K77 PolarHBondContact O-N 3.09Å | ||
| 76 | K | 39.5 | Very low | 41.4 | Very low | 196 Ų | 196 | 159.6 Ų | 159.6 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | trans | -79.6 | 112.7 | -177.7 | -171.8 | 175.5 | 178.9 | -179.3 | 0 | 109.1 | M78 | K76-M78 PolarHBondContact O-N 3.28Š| ||
| 77 | K | 39.4 | Very low | 41.3 | Very low | 202 Ų | 202 | 157.4 Ų | 157.4 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | trans | -8 | 105.6 | 159.5 | -148.1 | 177.6 | -170.6 | -167.3 | 0 | 115 | S75 | S75-K77 PolarHBondContact O-N 3.09Š| ||
| 78 | M | 38.2 | Very low | 41.5 | Very low | 186 Ų | 186 | 159.4 Ų | 159.4 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | -128.7 | 114.5 | 150.7 | -151.5 | 80.5 | 162.2 | 0 | 0 | 105.5 | K76 | K76-M78 PolarHBondContact O-N 3.28Š| ||
| 79 | G | 38.8 | Very low | 42.1 | Very low | 77 Ų | 77 | 160 Ų | 160 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -73.4 | 136 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 80 | S | 38.3 | Very low | 41.3 | Very low | 122 Ų | 122 | 161.7 Ų | 161.7 | 85% | 0.853 | 84% | 0.837 | S | S | * | * | trans | -154 | 125.5 | 144.6 | -179.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 81 | Q | 40.5 | Very low | 41 | Very low | 177 Ų | 177 | 159 Ų | 159 | 83% | 0.827 | 84% | 0.836 | S | S | * | * | trans | -68.6 | 146.4 | -175.2 | -59 | -169 | 36.8 | 0 | 0 | 112.6 | ||||
| 82 | L | 45.6 | Very low | 40.9 | Very low | 163 Ų | 163 | 157.5 Ų | 157.5 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | 173.7 | 154.1 | 123.8 | -92.3 | 147.4 | 0 | 0 | 0 | 109.5 | |||||
| 83 | P | 42.9 | Very low | 40.8 | Very low | 110 Ų | 110 | 163 Ų | 163 | 71% | 0.714 | 85% | 0.85 | S | S | * | * | -105 | 143.6 | -128.8 | 6.4 | 16.5 | 0 | 0 | 0 | 113.1 | |||||
| 84 | M | 38.1 | Very low | 40.5 | Very low | 176 Ų | 176 | 159.9 Ų | 159.9 | 87% | 0.867 | 85% | 0.847 | S | S | * | * | trans | -63.7 | 141 | 165 | -90.6 | 174.5 | 158.4 | 0 | 0 | 110.8 | R86 | M84-R86 PolarHBondContact O-N 3.34Å; M84-R86 VanDerWaalsContact O-N 3.08Å | ||
| 85 | P | 37.6 | Very low | 40.2 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 84% | 0.844 | 85% | 0.846 | S | S | * | * | trans | -63.4 | 110.9 | 171.1 | -15.3 | 28.8 | 0 | 0 | 0 | 109.4 | M87 | P85-M87 PolarHBondContact O-N 3.34Š| ||
| 86 | R | 43.8 | Very low | 40.7 | Very low | 237 Ų | 237 | 154.7 Ų | 154.7 | 89% | 0.894 | 84% | 0.84 | S | S | * | * | trans | -69.1 | 128.5 | 170.5 | -81.1 | -174.3 | -175.5 | 107.1 | 0.7 | 108.4 | M84 L88 | M84-R86 PolarHBondContact O-N 3.34Å; M84-R86 VanDerWaalsContact O-N 3.08Å; R86-L88 PolarHBondContact O-N 3.34Å | ||
| 87 | M | 40.3 | Very low | 40.8 | Very low | 187 Ų | 187 | 152.7 Ų | 152.7 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -54.3 | 110.5 | 161.2 | -68.3 | -125.6 | -137.6 | 0 | 0 | 108.6 | P85 R89 | P85-M87 PolarHBondContact O-N 3.34Å; M87-R89 VanDerWaalsContact C-N 3.3Å; M87-R89 PolarHBondContact O-N 3.32Å | ||
| 88 | L | 42.6 | Very low | 41.4 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 75% | 0.749 | 83% | 0.829 | S | S | * | * | trans | -68.6 | 90.9 | 172.4 | -178.8 | 65.2 | 0 | 0 | 0 | 107.8 | R86 E90 | R86-L88 PolarHBondContact O-N 3.34Å; L88-E90 HydrophobicContact CG-CB 4.49Å; L88-E90 PolarHBondContact O-N 3.26Å | ||
| 89 | R | 48.9 | Very low | 41.8 | Very low | 242 Ų | 242 | 149.4 Ų | 149.4 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -84.2 | 98.2 | 166.5 | -162.3 | -169.7 | -162.8 | -155.1 | 5.5 | 106.6 | M87 | M87-R89 VanDerWaalsContact C-N 3.3Å; M87-R89 PolarHBondContact O-N 3.32Å | ||
| 90 | E | 38 | Very low | 41.9 | Very low | 162 Ų | 162 | 153.1 Ų | 153.1 | 76% | 0.757 | 82% | 0.82 | S | S | * | * | trans | -114.8 | 108.6 | 169.9 | -121.9 | 159.1 | -176 | 0 | 0 | 108.8 | L88 | L88-E90 HydrophobicContact CG-CB 4.49Å; L88-E90 PolarHBondContact O-N 3.26Å | ||
| 91 | S | 39.6 | Very low | 42 | Very low | 125 Ų | 125 | 157.3 Ų | 157.3 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -108 | 117.6 | 166.2 | -177.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 92 | G | 35.7 | Very low | 42.9 | Very low | 76 Ų | 76 | 154 Ų | 154 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -171.3 | 97.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 93 | H | 42.1 | Very low | 42.6 | Very low | 211 Ų | 211 | 149.5 Ų | 149.5 | 98% | 0.977 | 81% | 0.805 | S | S | * | * | trans | -75.6 | 131.7 | 174.8 | -142 | 69.1 | 0 | 0 | 0 | 109 | ||||
| 94 | G | 37.9 | Very low | 42.3 | Very low | 76 Ų | 76 | 150.5 Ų | 150.5 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -176.4 | 126.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 95 | D | 40.3 | Very low | 42.6 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -77.9 | 168.8 | -155.3 | -152.9 | -8.5 | 0 | 0 | 0 | 115.8 | ||||
| 96 | A | 47.7 | Very low | 43.3 | Very low | 84 Ų | 84 | 153.4 Ų | 153.4 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | trans | -53.2 | 146.1 | -171 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 97 | H | 41.5 | Very low | 43.7 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | trans | -153.7 | 115.1 | 133.6 | -166.6 | -92.3 | 0 | 0 | 0 | 111.2 | ||||
| 98 | L | 51.3 | Low | 44 | Very low | 151 Ų | 151 | 143 Ų | 143 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -78.6 | 115.7 | 172.3 | -152 | 152.8 | 0 | 0 | 0 | 107 | ||||
| 99 | Q | 46.8 | Very low | 44.4 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -139.9 | 100.4 | 170.2 | -167.3 | 170.1 | 83.1 | 0 | 0 | 110.7 | ||||
| 100 | E | 40.6 | Very low | 44.3 | Very low | 155 Ų | 155 | 143 Ų | 143 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | -73.6 | 155.6 | 163.8 | -88.2 | -178.8 | 148.1 | 0 | 0 | 111.6 | ||||
| 101 | Y | 40.9 | Very low | 44.8 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 98.3 | 156.3 | 147.7 | -112.9 | -111.5 | 0 | 0 | 0 | 119 | ||||
| 102 | P | 58.9 | Low | 45 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | -132.1 | 178.9 | -69.3 | 45.4 | -34 | 0 | 0 | 0 | 112 | |||||
| 103 | G | 38.9 | Very low | 45.5 | Very low | 69 Ų | 69 | 150.3 Ų | 150.3 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 119.4 | 101.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 104 | N | 38 | Very low | 45.7 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | 89.2 | 105.8 | 92.5 | -151.2 | 19.4 | 0 | 0 | 0 | 110.6 | |||||
| 105 | F | 42.5 | Very low | 46.5 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | 172.4 | 131.3 | 111.5 | -96.3 | -79.2 | 0 | 0 | 0 | 109.5 | G107 | F105-G107 PolarHBondContact O-N 3.38Š| |||
| 106 | Q | 53 | Low | 47.2 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | trans | -46 | 124 | 173.2 | -66.7 | 163.4 | 19.8 | 0 | 0 | 111.4 | ||||
| 107 | G | 51.4 | Low | 47.3 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | -166.3 | 29.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F105 | F105-G107 PolarHBondContact O-N 3.38Š| ||
| 108 | M | 47.7 | Very low | 47.8 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | trans | -166.8 | 90.2 | 153.2 | -135.2 | 55.1 | 170.9 | 0 | 0 | 110.1 | F110 | M108-F110 HydrophobicContact CB-CD2 3.83Å; M108-F110 HydrophobicContact CB-CE2 3.94Å; M108-F110 HydrophobicContact CE-CE1 4.33Å; M108-F110 HydrophobicContact CE-CE2 4.07Å; M108-F110 HydrophobicContact CE-CZ 3.7Å; M108-F110 HydrophobicContact CG-CD2 3.37Å; M108-F110 HydrophobicContact CG-CE2 3.11Å; M108-F110 HydrophobicContact CG-CG 4.22Å; M108-F110 HydrophobicContact CG-CZ 3.74Å; M108-F110 PolarHBondContact O-N 3.25Å; M108-F110 HydrophobicContact SD-CE2 4.46Å | ||
| 109 | R | 51.4 | Low | 47.7 | Very low | 235 Ų | 235 | 133.7 Ų | 133.7 | 89% | 0.887 | 68% | 0.677 | S | S | * | * | trans | -67.5 | 83.1 | 157.9 | -67.9 | -176.7 | -137.6 | 176.4 | 4.4 | 106.9 | H111 | R109-H111 PolarHBondContact O-N 3.33Å; R109-H111 VanDerWaalsContact O-N 3.07Å | ||
| 110 | F | 45.1 | Very low | 48.2 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 66% | 0.662 | 66% | 0.66 | S | S | * | * | trans | -74.4 | 91.8 | 156.6 | -80.3 | -70.5 | 0 | 0 | 0 | 106.4 | M108 Y112 | M108-F110 HydrophobicContact CB-CD2 3.83Å; M108-F110 HydrophobicContact CB-CE2 3.94Å; M108-F110 HydrophobicContact CE-CE1 4.33Å; M108-F110 HydrophobicContact CE-CE2 4.07Å; M108-F110 HydrophobicContact CE-CZ 3.7Å; M108-F110 HydrophobicContact CG-CD2 3.37Å; M108-F110 HydrophobicContact CG-CE2 3.11Å; M108-F110 HydrophobicContact CG-CG 4.22Å; M108-F110 HydrophobicContact CG-CZ 3.74Å; M108-F110 PolarHBondContact O-N 3.25Å; M108-F110 HydrophobicContact SD-CE2 4.46Å; F110-Y112 PolarHBondContact O-N 3.47Å | ||
| 111 | H | 48.9 | Very low | 48.9 | Very low | 174 Ų | 174 | 125.2 Ų | 125.2 | 81% | 0.806 | 65% | 0.653 | S | S | * | * | trans | -55.4 | 94.9 | 153 | -108.1 | -91.4 | 0 | 0 | 0 | 106.2 | R109 D113 | R109-H111 PolarHBondContact O-N 3.33Å; R109-H111 VanDerWaalsContact O-N 3.07Å; H111-D113 PolarHBondContact O-N 2.92Å | ||
| 112 | Y | 43.9 | Very low | 49.7 | Very low | 190 Ų | 190 | 117.9 Ų | 117.9 | 75% | 0.745 | 64% | 0.636 | S | S | * | * | trans | -70.6 | 88.3 | 155.4 | -103.8 | -76.6 | 0 | 0 | 0 | 105.5 | F110 R114 | F110-Y112 PolarHBondContact O-N 3.47Å; Y112-R114 HydrophobicContact CD1-CB 3.87Å; Y112-R114 PolarHBondContact O-N 3.33Å | ||
| 113 | D | 45.8 | Very low | 49.4 | Very low | 151 Ų | 151 | 117.2 Ų | 117.2 | 81% | 0.807 | 62% | 0.623 | S | S | * | * | trans | -72.5 | 64.9 | 150.3 | -167.4 | 27.8 | 0 | 0 | 0 | 107 | H111 N115 | H111-D113 PolarHBondContact O-N 2.92Å; D113-N115 PolarHBondContact O-N 3.02Å | ||
| 114 | R | 47.6 | Very low | 50.3 | Low | 135 Ų | 135 | 117 Ų | 117 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | trans | -79.7 | 99.7 | 167.2 | -167.1 | 163.1 | -173.2 | 176.5 | -9.6 | 104.5 | Y112 P116 D119 | Y112-R114 HydrophobicContact CD1-CB 3.87Å; Y112-R114 PolarHBondContact O-N 3.33Å; R114-P116 WeakPolarHBondContact O-CD 3.34Å; R114-D119 WeakPolarHBondContact CD-OD2 3.32Å; R114-D119 HydrophobicContact CG-CB 4.16Å; R114-D119 IonicContact CZ-OD1 3.33Å; R114-D119 IonicContact CZ-OD2 2.96Å; R114-D119 IonicContact NE-OD1 3.43Å; R114-D119 PolarHBondContact NE-OD1 2.74Å; R114-D119 IonicContact NE-OD2 2.81Å; R114-D119 PolarHBondContact NE-OD2 2.76Å; R114-D119 IonicContact NH1-OD2 3.76Å; R114-D119 IonicContact NH2-OD1 2.64Å; R114-D119 PolarHBondContact NH2-OD1 3.18Å; R114-D119 IonicContact NH2-OD2 3.08Å; R114-D119 PolarHBondContact NH2-OD2 2.88Å; R114-D119 VanDerWaalsContact NH2-OD2 3.08Å | ||
| 115 | N | 53.9 | Low | 51.4 | Low | 87 Ų | 87 | 114.2 Ų | 114.2 | 47% | 0.465 | 60% | 0.599 | S | S | . | * | trans | -38.7 | 105.7 | 168.4 | 179.4 | 3.5 | 0 | 0 | 0 | 109.7 | D113 G117 T118 D119 | D113-N115 PolarHBondContact O-N 3.02Å; N115-G117 PolarHBondContact O-N 3.46Å; N115-G117 VanDerWaalsContact O-N 3.16Å; N115-G117 PolarHBondContact OD1-N 3.27Å; N115-G117 VanDerWaalsContact OD1-N 3.07Å; N115-T118 PolarHBondContact ND2-OG1 3.4Å; N115-T118 PolarHBondContact O-N 3.49Å; N115-D119 PolarHBondContact O-N 3.14Å | ||
| 116 | P | 54.4 | Low | 52.2 | Low | 102 Ų | 102 | 111 Ų | 111 | 66% | 0.662 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.4 | -10.6 | -176.3 | 28.6 | -33.9 | 0 | 0 | 0 | 111.5 | R114 A120 | R114-P116 WeakPolarHBondContact O-CD 3.34Å; P116-A120 WeakPolarHBondContact O-CB 3.28Å |
| 117 | G | 51.5 | Low | 52.7 | Low | 44 Ų | 44 | 107.5 Ų | 107.5 | 45% | 0.454 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -81.4 | -32.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N115 V121 | N115-G117 PolarHBondContact O-N 3.46Å; N115-G117 VanDerWaalsContact O-N 3.16Å; N115-G117 PolarHBondContact OD1-N 3.27Å; N115-G117 VanDerWaalsContact OD1-N 3.07Å; G117-V121 WeakPolarHBondContact O-CG2 3.37Å |
| 118 | T | 51.1 | Low | 53.5 | Low | 93 Ų | 93 | 110.5 Ų | 110.5 | 57% | 0.571 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -94 | -29.1 | -179.2 | 39.6 | 0 | 0 | 0 | 0 | 113.3 | N115 A122 | N115-T118 PolarHBondContact ND2-OG1 3.4Å; N115-T118 PolarHBondContact O-N 3.49Å; T118-A122 WeakPolarHBondContact O-CB 3.48Å; T118-A122 PolarHBondContact O-N 3.48Å; T118-A122 VanDerWaalsContact O-N 3.08Å |
| 119 | D | 49.7 | Very low | 54.4 | Low | 32 Ų | 32 | 108.4 Ų | 108.4 | 17% | 0.171 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -79.4 | -36.3 | 178.6 | -174 | 44 | 0 | 0 | 0 | 113.1 | R114 N115 V121 A122 Q123 | R114-D119 WeakPolarHBondContact CD-OD2 3.32Å; R114-D119 HydrophobicContact CG-CB 4.16Å; R114-D119 IonicContact CZ-OD1 3.33Å; R114-D119 IonicContact CZ-OD2 2.96Å; R114-D119 IonicContact NE-OD1 3.43Å; R114-D119 PolarHBondContact NE-OD1 2.74Å; R114-D119 IonicContact NE-OD2 2.81Å; R114-D119 PolarHBondContact NE-OD2 2.76Å; R114-D119 IonicContact NH1-OD2 3.76Å; R114-D119 IonicContact NH2-OD1 2.64Å; R114-D119 PolarHBondContact NH2-OD1 3.18Å; R114-D119 IonicContact NH2-OD2 3.08Å; R114-D119 PolarHBondContact NH2-OD2 2.88Å; R114-D119 VanDerWaalsContact NH2-OD2 3.08Å; N115-D119 PolarHBondContact O-N 3.14Å; D119-V121 VanDerWaalsContact C-N 3.27Å; D119-V121 PolarHBondContact O-N 2.92Å; D119-A122 PolarHBondContact O-N 3.34Å; D119-Q123 WeakPolarHBondContact O-CB 3.43Å; D119-Q123 PolarHBondContact O-N 2.95Å; D119-Q123 PolarHBondContact OD2-NE2 3.05Å |
| 120 | A | 57.5 | Low | 55.6 | Low | 52 Ų | 52 | 101.3 Ų | 101.3 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P116 T124 | P116-A120 WeakPolarHBondContact O-CB 3.28Å; A120-T124 WeakPolarHBondContact O-CB 3.29Å; A120-T124 WeakPolarHBondContact O-CG2 3.49Å; A120-T124 PolarHBondContact O-N 2.83Å; A120-T124 PolarHBondContact O-OG1 3.5Å |
| 121 | V | 54.6 | Low | 57.1 | Low | 94 Ų | 94 | 98.6 Ų | 98.6 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.5 | -36.7 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | G117 D119 T124 S125 | G117-V121 WeakPolarHBondContact O-CG2 3.37Å; D119-V121 VanDerWaalsContact C-N 3.27Å; D119-V121 PolarHBondContact O-N 2.92Å; V121-T124 VanDerWaalsContact CA-OG1 3.25Å; V121-T124 WeakPolarHBondContact CA-OG1 3.33Å; V121-T124 PolarHBondContact O-OG1 3.49Å; V121-S125 WeakPolarHBondContact O-CB 3.45Å; V121-S125 PolarHBondContact O-N 3.03Å |
| 122 | A | 57.5 | Low | 58.7 | Low | 56 Ų | 56 | 95.2 Ų | 95.2 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.1 | -37 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T118 D119 L126 | T118-A122 WeakPolarHBondContact O-CB 3.48Å; T118-A122 PolarHBondContact O-N 3.48Å; T118-A122 VanDerWaalsContact O-N 3.08Å; D119-A122 PolarHBondContact O-N 3.34Å; A122-L126 WeakPolarHBondContact O-CB 3.31Å; A122-L126 PolarHBondContact O-N 3.04Å |
| 123 | Q | 52.2 | Low | 60.5 | Low | 94 Ų | 94 | 91.4 Ų | 91.4 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -45.5 | 172.7 | -83 | 177.9 | 34.7 | 0 | 0 | 111.8 | D119 S125 L126 E127 | D119-Q123 WeakPolarHBondContact O-CB 3.43Å; D119-Q123 PolarHBondContact O-N 2.95Å; D119-Q123 PolarHBondContact OD2-NE2 3.05Å; Q123-S125 PolarHBondContact O-N 2.99Å; Q123-L126 PolarHBondContact O-N 3.43Å; Q123-E127 VanDerWaalsContact O-CB 3.28Å; Q123-E127 WeakPolarHBondContact O-CB 3.47Å; Q123-E127 VanDerWaalsContact O-CG 3.28Å; Q123-E127 WeakPolarHBondContact O-CG 3.3Å; Q123-E127 PolarHBondContact O-N 3.23Å |
| 124 | T | 59.1 | Low | 62.4 | Low | 65 Ų | 65 | 90.3 Ų | 90.3 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.8 | 40.3 | 0 | 0 | 0 | 0 | 111.9 | A120 V121 L126 E127 E128 | A120-T124 WeakPolarHBondContact O-CB 3.29Å; A120-T124 WeakPolarHBondContact O-CG2 3.49Å; A120-T124 PolarHBondContact O-N 2.83Å; A120-T124 PolarHBondContact O-OG1 3.5Å; V121-T124 VanDerWaalsContact CA-OG1 3.25Å; V121-T124 WeakPolarHBondContact CA-OG1 3.33Å; V121-T124 PolarHBondContact O-OG1 3.49Å; T124-L126 VanDerWaalsContact C-N 3.35Å; T124-L126 PolarHBondContact O-N 3.3Å; T124-E127 PolarHBondContact O-N 2.99Å; T124-E128 WeakPolarHBondContact O-CB 3.29Å; T124-E128 WeakPolarHBondContact O-CG 3.26Å; T124-E128 PolarHBondContact O-N 3.25Å |
| 125 | S | 59.8 | Low | 64.2 | Low | 70 Ų | 70 | 87 Ų | 87 | 49% | 0.49 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 175.1 | -176.3 | 0 | 0 | 0 | 0 | 112.9 | V121 Q123 L129 | V121-S125 WeakPolarHBondContact O-CB 3.45Å; V121-S125 PolarHBondContact O-N 3.03Å; Q123-S125 PolarHBondContact O-N 2.99Å; S125-L129 WeakPolarHBondContact O-CB 3.46Å; S125-L129 PolarHBondContact O-N 3.34Å |
| 126 | L | 58.9 | Low | 65.9 | Low | 114 Ų | 114 | 85.9 Ų | 85.9 | 60% | 0.597 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -75.7 | -37.7 | 176.6 | -174.4 | 147.3 | 0 | 0 | 0 | 112.2 | A122 Q123 T124 L129 N130 | A122-L126 WeakPolarHBondContact O-CB 3.31Å; A122-L126 PolarHBondContact O-N 3.04Å; Q123-L126 PolarHBondContact O-N 3.43Å; T124-L126 VanDerWaalsContact C-N 3.35Å; T124-L126 PolarHBondContact O-N 3.3Å; L126-L129 PolarHBondContact O-N 3Å; L126-N130 WeakPolarHBondContact O-CB 3.46Å; L126-N130 PolarHBondContact O-N 3.11Å |
| 127 | E | 65.3 | Low | 67.6 | Low | 112 Ų | 112 | 87 Ų | 87 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.1 | -42 | 172.8 | -75.4 | 175.4 | 162.8 | 0 | 0 | 111 | Q123 T124 N130 V131 | Q123-E127 VanDerWaalsContact O-CB 3.28Å; Q123-E127 WeakPolarHBondContact O-CB 3.47Å; Q123-E127 VanDerWaalsContact O-CG 3.28Å; Q123-E127 WeakPolarHBondContact O-CG 3.3Å; Q123-E127 PolarHBondContact O-N 3.23Å; T124-E127 PolarHBondContact O-N 2.99Å; E127-N130 PolarHBondContact O-N 3.12Å; E127-V131 WeakPolarHBondContact O-CB 3.48Å; E127-V131 WeakPolarHBondContact O-CG2 3.39Å; E127-V131 PolarHBondContact O-N 3.27Å |
| 128 | E | 68.3 | Low | 69.3 | Low | 132 Ų | 132 | 91.4 Ų | 91.4 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.1 | -39.3 | 172.3 | -74.5 | 171.9 | -172.7 | 0 | 0 | 111.8 | T124 L132 | T124-E128 WeakPolarHBondContact O-CB 3.29Å; T124-E128 WeakPolarHBondContact O-CG 3.26Å; T124-E128 PolarHBondContact O-N 3.25Å; E128-L132 WeakPolarHBondContact O-CB 3.43Å; E128-L132 PolarHBondContact O-N 3.43Å |
| 129 | L | 66.2 | Low | 71 | Confident | 93 Ų | 93 | 94.5 Ų | 94.5 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 173.6 | -169.4 | 109.3 | 0 | 0 | 0 | 111.3 | S125 L126 L132 E133 | S125-L129 WeakPolarHBondContact O-CB 3.46Å; S125-L129 PolarHBondContact O-N 3.34Å; L126-L129 PolarHBondContact O-N 3Å; L129-L132 CarbonylContact O-C 3.59Å; L129-L132 WeakPolarHBondContact O-CB 3.47Å; L129-L132 PolarHBondContact O-N 3.23Å; L129-E133 WeakPolarHBondContact O-CB 3.47Å; L129-E133 WeakPolarHBondContact O-CG 3.49Å; L129-E133 PolarHBondContact O-N 2.96Å |
| 130 | N | 76.4 | Confident | 72.9 | Confident | 86 Ų | 86 | 98.8 Ų | 98.8 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 177 | -172.7 | 8.5 | 0 | 0 | 0 | 111.5 | L126 E127 L132 E133 M134 | L126-N130 WeakPolarHBondContact O-CB 3.46Å; L126-N130 PolarHBondContact O-N 3.11Å; E127-N130 PolarHBondContact O-N 3.12Å; N130-L132 VanDerWaalsContact C-N 3.3Å; N130-L132 PolarHBondContact O-N 3.16Å; N130-E133 PolarHBondContact O-N 3.45Å; N130-M134 VanDerWaalsContact O-CB 3.28Å; N130-M134 WeakPolarHBondContact O-CB 3.36Å; N130-M134 PolarHBondContact O-N 2.78Å |
| 131 | V | 76.8 | Confident | 74.5 | Confident | 94 Ų | 94 | 101.9 Ų | 101.9 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -41.2 | 171.6 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | E127 M134 E135 | E127-V131 WeakPolarHBondContact O-CB 3.48Å; E127-V131 WeakPolarHBondContact O-CG2 3.39Å; E127-V131 PolarHBondContact O-N 3.27Å; V131-M134 PolarHBondContact O-N 3.41Å; V131-E135 VanDerWaalsContact O-CB 3.25Å; V131-E135 WeakPolarHBondContact O-CB 3.33Å; V131-E135 PolarHBondContact O-N 2.97Å |
| 132 | L | 81.4 | Confident | 76 | Confident | 103 Ų | 103 | 104.4 Ų | 104.4 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.7 | -176.2 | 71.7 | 0 | 0 | 0 | 111.8 | E128 L129 N130 M134 E135 V136 | E128-L132 WeakPolarHBondContact O-CB 3.43Å; E128-L132 PolarHBondContact O-N 3.43Å; L129-L132 CarbonylContact O-C 3.59Å; L129-L132 WeakPolarHBondContact O-CB 3.47Å; L129-L132 PolarHBondContact O-N 3.23Å; N130-L132 VanDerWaalsContact C-N 3.3Å; N130-L132 PolarHBondContact O-N 3.16Å; L132-M134 VanDerWaalsContact C-N 3.35Å; L132-E135 PolarHBondContact O-N 2.95Å; L132-V136 WeakPolarHBondContact O-CB 3.48Å; L132-V136 VanDerWaalsContact O-CG2 3.26Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.47Å |
| 133 | E | 82.8 | Confident | 77.5 | Confident | 110 Ų | 110 | 104.1 Ų | 104.1 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 174 | -76.7 | -177.4 | 156.1 | 0 | 0 | 111.2 | L129 N130 E135 V136 M137 | L129-E133 WeakPolarHBondContact O-CB 3.47Å; L129-E133 WeakPolarHBondContact O-CG 3.49Å; L129-E133 PolarHBondContact O-N 2.96Å; N130-E133 PolarHBondContact O-N 3.45Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 3.23Å; E133-V136 PolarHBondContact O-N 3.22Å; E133-M137 WeakPolarHBondContact O-CB 3.35Å; E133-M137 WeakPolarHBondContact O-CG 3.5Å; E133-M137 PolarHBondContact O-N 3.39Å |
| 134 | M | 85.9 | Confident | 79.2 | Confident | 128 Ų | 128 | 103.3 Ų | 103.3 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -37 | 176.2 | -144.9 | 172.1 | 89.1 | 0 | 0 | 111.1 | N130 V131 L132 R138 | N130-M134 VanDerWaalsContact O-CB 3.28Å; N130-M134 WeakPolarHBondContact O-CB 3.36Å; N130-M134 PolarHBondContact O-N 2.78Å; V131-M134 PolarHBondContact O-N 3.41Å; L132-M134 VanDerWaalsContact C-N 3.35Å; M134-R138 WeakPolarHBondContact O-CB 3.21Å; M134-R138 PolarHBondContact O-N 3.1Å |
| 135 | E | 85.2 | Confident | 80.5 | Confident | 67 Ų | 67 | 104.4 Ų | 104.4 | 31% | 0.313 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.5 | -39.2 | 175.3 | -169.5 | 63 | -144.7 | 0 | 0 | 111.7 | V131 L132 E133 R138 R139 | V131-E135 VanDerWaalsContact O-CB 3.25Å; V131-E135 WeakPolarHBondContact O-CB 3.33Å; V131-E135 PolarHBondContact O-N 2.97Å; L132-E135 PolarHBondContact O-N 2.95Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 3.23Å; E135-R138 PolarHBondContact O-N 2.87Å; E135-R139 WeakPolarHBondContact O-CB 3.31Å; E135-R139 VanDerWaalsContact O-CG 3.22Å; E135-R139 WeakPolarHBondContact O-CG 3.4Å; E135-R139 PolarHBondContact O-N 3.4Å; E135-R139 IonicContact OE1-NE 3.58Å; E135-R139 IonicContact OE1-NH2 3.91Å |
| 136 | V | 89 | Confident | 81.6 | Confident | 62 Ų | 62 | 110.9 Ų | 110.9 | 38% | 0.376 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 173.7 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | L132 E133 R138 R139 Q140 | L132-V136 WeakPolarHBondContact O-CB 3.48Å; L132-V136 VanDerWaalsContact O-CG2 3.26Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.47Å; E133-V136 PolarHBondContact O-N 3.22Å; V136-R138 VanDerWaalsContact C-N 3.29Å; V136-R138 PolarHBondContact O-N 3.25Å; V136-R139 PolarHBondContact O-N 3.3Å; V136-Q140 HydrophobicContact CG1-CG 4.47Å; V136-Q140 WeakPolarHBondContact O-CB 3.45Å; V136-Q140 WeakPolarHBondContact O-CG 3.49Å; V136-Q140 PolarHBondContact O-N 3.4Å |
| 137 | M | 89.4 | Confident | 83 | Confident | 126 Ų | 126 | 114.4 Ų | 114.4 | 62% | 0.621 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.2 | -42.5 | 173.6 | -84.2 | -178.7 | 37.1 | 0 | 0 | 111.3 | E133 Q140 L141 | E133-M137 WeakPolarHBondContact O-CB 3.35Å; E133-M137 WeakPolarHBondContact O-CG 3.5Å; E133-M137 PolarHBondContact O-N 3.39Å; M137-Q140 PolarHBondContact O-N 2.94Å; M137-L141 VanDerWaalsContact O-CB 3.26Å; M137-L141 WeakPolarHBondContact O-CB 3.41Å; M137-L141 PolarHBondContact O-N 3.09Å |
| 138 | R | 88.6 | Confident | 83.9 | Confident | 137 Ų | 137 | 114 Ų | 114 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 176.5 | -169.3 | 177.4 | -170.1 | -166.7 | 2.6 | 111.2 | M134 E135 V136 L141 Y142 | M134-R138 WeakPolarHBondContact O-CB 3.21Å; M134-R138 PolarHBondContact O-N 3.1Å; E135-R138 PolarHBondContact O-N 2.87Å; V136-R138 VanDerWaalsContact C-N 3.29Å; V136-R138 PolarHBondContact O-N 3.25Å; R138-L141 PolarHBondContact O-N 3.26Å; R138-Y142 HydrophobicContact CG-CD2 3.87Å; R138-Y142 HydrophobicContact CG-CE2 3.69Å; R138-Y142 WeakPolarHBondContact O-CD2 3.37Å; R138-Y142 PolarHBondContact O-N 2.93Å |
| 139 | R | 87.2 | Confident | 84.6 | Confident | 157 Ų | 157 | 115.3 Ų | 115.3 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -42.5 | 176.2 | -72.9 | 170.1 | -172 | -173.1 | 3.1 | 112.3 | E135 V136 Y142 A143 | E135-R139 WeakPolarHBondContact O-CB 3.31Å; E135-R139 VanDerWaalsContact O-CG 3.22Å; E135-R139 WeakPolarHBondContact O-CG 3.4Å; E135-R139 PolarHBondContact O-N 3.4Å; E135-R139 IonicContact OE1-NE 3.58Å; E135-R139 IonicContact OE1-NH2 3.91Å; V136-R139 PolarHBondContact O-N 3.3Å; R139-Y142 PolarHBondContact O-N 2.82Å; R139-A143 WeakPolarHBondContact O-CB 3.47Å; R139-A143 PolarHBondContact O-N 3.49Å |
| 140 | Q | 89.6 | Confident | 85.2 | Confident | 123 Ų | 123 | 113 Ų | 113 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.9 | -43.5 | 175.3 | -74.5 | -177.4 | -4.1 | 0 | 0 | 111.4 | V136 M137 A143 V144 | V136-Q140 HydrophobicContact CG1-CG 4.47Å; V136-Q140 WeakPolarHBondContact O-CB 3.45Å; V136-Q140 WeakPolarHBondContact O-CG 3.49Å; V136-Q140 PolarHBondContact O-N 3.4Å; M137-Q140 PolarHBondContact O-N 2.94Å; Q140-A143 PolarHBondContact O-N 3.39Å; Q140-V144 WeakPolarHBondContact O-CB 3.32Å; Q140-V144 WeakPolarHBondContact O-CG2 3.45Å; Q140-V144 PolarHBondContact O-N 2.9Å |
| 141 | L | 89.2 | Confident | 85.2 | Confident | 117 Ų | 117 | 114.3 Ų | 114.3 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 176.4 | -176.2 | 63.3 | 0 | 0 | 0 | 111.2 | M137 R138 V144 N145 | M137-L141 VanDerWaalsContact O-CB 3.26Å; M137-L141 WeakPolarHBondContact O-CB 3.41Å; M137-L141 PolarHBondContact O-N 3.09Å; R138-L141 PolarHBondContact O-N 3.26Å; L141-V144 PolarHBondContact O-N 3.41Å; L141-N145 WeakPolarHBondContact O-CB 3.45Å; L141-N145 PolarHBondContact O-N 2.89Å |
| 142 | Y | 87.8 | Confident | 85.5 | Confident | 147 Ų | 147 | 116.5 Ų | 116.5 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 174.8 | -86.7 | -70.2 | 0 | 0 | 0 | 112.6 | R138 R139 N145 R146 | R138-Y142 HydrophobicContact CG-CD2 3.87Å; R138-Y142 HydrophobicContact CG-CE2 3.69Å; R138-Y142 WeakPolarHBondContact O-CD2 3.37Å; R138-Y142 PolarHBondContact O-N 2.93Å; R139-Y142 PolarHBondContact O-N 2.82Å; Y142-N145 PolarHBondContact O-N 2.88Å; Y142-R146 VanDerWaalsContact O-CB 3.26Å; Y142-R146 WeakPolarHBondContact O-CB 3.32Å; Y142-R146 PolarHBondContact O-N 3.37Å |
| 143 | A | 87.9 | Confident | 85.2 | Confident | 49 Ų | 49 | 117.9 Ų | 117.9 | 41% | 0.405 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | R139 Q140 R147 | R139-A143 WeakPolarHBondContact O-CB 3.47Å; R139-A143 PolarHBondContact O-N 3.49Å; Q140-A143 PolarHBondContact O-N 3.39Å; A143-R147 WeakPolarHBondContact O-CG 3.47Å; A143-R147 PolarHBondContact O-N 3.39Å |
| 144 | V | 88.4 | Confident | 84.6 | Confident | 78 Ų | 78 | 118.7 Ų | 118.7 | 47% | 0.473 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.8 | -45.6 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | Q140 L141 R146 R147 L148 | Q140-V144 WeakPolarHBondContact O-CB 3.32Å; Q140-V144 WeakPolarHBondContact O-CG2 3.45Å; Q140-V144 PolarHBondContact O-N 2.9Å; L141-V144 PolarHBondContact O-N 3.41Å; V144-R146 VanDerWaalsContact C-N 3.31Å; V144-R146 PolarHBondContact O-N 2.91Å; V144-R147 WeakPolarHBondContact O-CB 3.39Å; V144-R147 PolarHBondContact O-N 2.78Å; V144-R147 VanDerWaalsContact O-N 3.12Å; V144-L148 HydrophobicContact CG1-CD1 3.76Å; V144-L148 PolarHBondContact O-N 3.25Å |
| 145 | N | 86.4 | Confident | 84 | Confident | 87 Ų | 87 | 114 Ų | 114 | 47% | 0.465 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 179 | -163.6 | -15.2 | 0 | 0 | 0 | 111.6 | L141 Y142 R147 L148 R149 | L141-N145 WeakPolarHBondContact O-CB 3.45Å; L141-N145 PolarHBondContact O-N 2.89Å; Y142-N145 PolarHBondContact O-N 2.88Å; N145-R147 VanDerWaalsContact C-N 3.35Å; N145-R147 PolarHBondContact O-N 3.47Å; N145-L148 WeakPolarHBondContact O-CB 3.44Å; N145-L148 PolarHBondContact O-N 3.16Å; N145-R149 PolarHBondContact O-N 3.43Å |
| 146 | R | 83.4 | Confident | 83.4 | Confident | 207 Ų | 207 | 113.9 Ų | 113.9 | 78% | 0.781 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 173.3 | -171.8 | 179.3 | -177.2 | 179.7 | 2.4 | 112.6 | Y142 V144 A150 | Y142-R146 VanDerWaalsContact O-CB 3.26Å; Y142-R146 WeakPolarHBondContact O-CB 3.32Å; Y142-R146 PolarHBondContact O-N 3.37Å; V144-R146 VanDerWaalsContact C-N 3.31Å; V144-R146 PolarHBondContact O-N 2.91Å; R146-A150 PolarHBondContact O-N 3.49Å; R146-A150 VanDerWaalsContact O-N 3.1Å |
| 147 | R | 87.6 | Confident | 82.7 | Confident | 187 Ų | 187 | 114.4 Ų | 114.4 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.2 | -39.3 | 175.8 | -71.1 | 175.8 | 179.9 | 176.7 | 1.2 | 111.6 | A143 V144 N145 A150 L151 | A143-R147 WeakPolarHBondContact O-CG 3.47Å; A143-R147 PolarHBondContact O-N 3.39Å; V144-R147 WeakPolarHBondContact O-CB 3.39Å; V144-R147 PolarHBondContact O-N 2.78Å; V144-R147 VanDerWaalsContact O-N 3.12Å; N145-R147 VanDerWaalsContact C-N 3.35Å; N145-R147 PolarHBondContact O-N 3.47Å; R147-A150 PolarHBondContact O-N 3.46Å; R147-L151 WeakPolarHBondContact O-CB 3.26Å; R147-L151 VanDerWaalsContact O-CG 3.31Å; R147-L151 WeakPolarHBondContact O-CG 3.46Å; R147-L151 PolarHBondContact O-N 2.71Å |
| 148 | L | 84.3 | Confident | 82.3 | Confident | 104 Ų | 104 | 115.8 Ų | 115.8 | 55% | 0.545 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 173.4 | -97.4 | 138.6 | 0 | 0 | 0 | 111.7 | V144 N145 A150 L151 E152 | V144-L148 HydrophobicContact CG1-CD1 3.76Å; V144-L148 PolarHBondContact O-N 3.25Å; N145-L148 WeakPolarHBondContact O-CB 3.44Å; N145-L148 PolarHBondContact O-N 3.16Å; L148-A150 PolarHBondContact O-N 3.46Å; L148-L151 CarbonylContact O-C 3.53Å; L148-L151 WeakPolarHBondContact O-CB 3.44Å; L148-L151 PolarHBondContact O-N 3.32Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L148-E152 WeakPolarHBondContact O-CB 3.26Å; L148-E152 PolarHBondContact O-N 3.26Å |
| 149 | R | 83.7 | Confident | 81.9 | Confident | 160 Ų | 160 | 117.5 Ų | 117.5 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.4 | -41.3 | 177.4 | -175.5 | 176.1 | -80.5 | -167.9 | -6.6 | 112.4 | N145 L151 E152 E153 | N145-R149 PolarHBondContact O-N 3.43Å; R149-L151 VanDerWaalsContact C-N 3.33Å; R149-L151 PolarHBondContact O-N 3.46Å; R149-E152 WeakPolarHBondContact O-CB 3.36Å; R149-E152 PolarHBondContact O-N 3.49Å; R149-E153 PolarHBondContact O-N 3.27Å |
| 150 | A | 77.6 | Confident | 81.8 | Confident | 45 Ų | 45 | 116.2 Ų | 116.2 | 37% | 0.372 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.4 | -38.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R146 R147 L148 Q154 | R146-A150 PolarHBondContact O-N 3.49Å; R146-A150 VanDerWaalsContact O-N 3.1Å; R147-A150 PolarHBondContact O-N 3.46Å; L148-A150 PolarHBondContact O-N 3.46Å; A150-Q154 WeakPolarHBondContact O-CB 3.26Å; A150-Q154 WeakPolarHBondContact O-CG 3.12Å; A150-Q154 PolarHBondContact O-N 2.89Å |
| 151 | L | 77.5 | Confident | 81.6 | Confident | 112 Ų | 112 | 118 Ų | 118 | 59% | 0.586 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70 | -31.7 | 173.9 | -73.9 | 171.6 | 0 | 0 | 0 | 112.5 | R147 L148 R149 G155 | R147-L151 WeakPolarHBondContact O-CB 3.26Å; R147-L151 VanDerWaalsContact O-CG 3.31Å; R147-L151 WeakPolarHBondContact O-CG 3.46Å; R147-L151 PolarHBondContact O-N 2.71Å; L148-L151 CarbonylContact O-C 3.53Å; L148-L151 WeakPolarHBondContact O-CB 3.44Å; L148-L151 PolarHBondContact O-N 3.32Å; L148-L151 VanDerWaalsContact O-N 3.16Å; R149-L151 VanDerWaalsContact C-N 3.33Å; R149-L151 PolarHBondContact O-N 3.46Å; L151-G155 WeakPolarHBondContact O-CA 3.17Å; L151-G155 PolarHBondContact O-N 3.36Å |
| 152 | E | 82.6 | Confident | 81.8 | Confident | 141 Ų | 141 | 115.6 Ų | 115.6 | 66% | 0.659 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.6 | -45 | 175.8 | -175.5 | 176.2 | -166.6 | 0 | 0 | 111.1 | L148 R149 G155 A156 | L148-E152 WeakPolarHBondContact O-CB 3.26Å; L148-E152 PolarHBondContact O-N 3.26Å; R149-E152 WeakPolarHBondContact O-CB 3.36Å; R149-E152 PolarHBondContact O-N 3.49Å; E152-G155 PolarHBondContact O-N 2.87Å; E152-A156 PolarHBondContact O-N 3.43Å |
| 153 | E | 76 | Confident | 82 | Confident | 131 Ų | 131 | 113 Ų | 113 | 61% | 0.612 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | 173.2 | -77.4 | 171.9 | -176.5 | 0 | 0 | 111.8 | R149 G155 A156 T157 | R149-E153 PolarHBondContact O-N 3.27Å; E153-G155 VanDerWaalsContact C-N 3.33Å; E153-A156 PolarHBondContact O-N 2.85Å; E153-T157 WeakPolarHBondContact O-CG2 3.47Å; E153-T157 PolarHBondContact O-N 3.25Å; E153-T157 PolarHBondContact O-OG1 3.43Å |
| 154 | Q | 68.4 | Low | 82.3 | Confident | 128 Ų | 128 | 116.1 Ų | 116.1 | 60% | 0.598 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.9 | -36 | 172.9 | -75.5 | -177.8 | 2.6 | 0 | 0 | 112.3 | A150 T157 W158 | A150-Q154 WeakPolarHBondContact O-CB 3.26Å; A150-Q154 WeakPolarHBondContact O-CG 3.12Å; A150-Q154 PolarHBondContact O-N 2.89Å; Q154-T157 PolarHBondContact O-OG1 2.82Å; Q154-W158 VanDerWaalsContact O-CB 3.29Å; Q154-W158 WeakPolarHBondContact O-CB 3.45Å; Q154-W158 PolarHBondContact O-N 3.32Å |
| 155 | G | 73.5 | Confident | 82.6 | Confident | 30 Ų | 30 | 118 Ų | 118 | 31% | 0.309 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.4 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L151 E152 E153 T157 W158 R159 | L151-G155 WeakPolarHBondContact O-CA 3.17Å; L151-G155 PolarHBondContact O-N 3.36Å; E152-G155 PolarHBondContact O-N 2.87Å; E153-G155 VanDerWaalsContact C-N 3.33Å; G155-T157 PolarHBondContact O-N 3.26Å; G155-W158 PolarHBondContact O-N 3.41Å; G155-R159 WeakPolarHBondContact O-CB 3.11Å; G155-R159 VanDerWaalsContact O-CG 3.26Å; G155-R159 WeakPolarHBondContact O-CG 3.33Å; G155-R159 PolarHBondContact O-N 2.8Å |
| 156 | A | 72.5 | Confident | 83.1 | Confident | 63 Ų | 63 | 118.8 Ų | 118.8 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.1 | -45.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | E152 E153 R159 Q160 | E152-A156 PolarHBondContact O-N 3.43Å; E153-A156 PolarHBondContact O-N 2.85Å; A156-R159 PolarHBondContact O-N 3.29Å; A156-Q160 PolarHBondContact O-N 3.38Å |
| 157 | T | 75.5 | Confident | 83.7 | Confident | 74 Ų | 74 | 111.6 Ų | 111.6 | 45% | 0.454 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.7 | -33.9 | 176.9 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | E153 Q154 G155 R161 | E153-T157 WeakPolarHBondContact O-CG2 3.47Å; E153-T157 PolarHBondContact O-N 3.25Å; E153-T157 PolarHBondContact O-OG1 3.43Å; Q154-T157 PolarHBondContact O-OG1 2.82Å; G155-T157 PolarHBondContact O-N 3.26Å; T157-R161 WeakPolarHBondContact O-CG 3.22Å; T157-R161 PolarHBondContact O-N 3.29Å; T157-R161 VanDerWaalsContact O-N 3.08Å |
| 158 | W | 81.1 | Confident | 84.1 | Confident | 155 Ų | 155 | 109.5 Ų | 109.5 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.8 | -45.7 | 174.2 | -173.5 | -98.2 | 0 | 0 | 0 | 112.1 | Q154 G155 Q160 R161 E162 | Q154-W158 VanDerWaalsContact O-CB 3.29Å; Q154-W158 WeakPolarHBondContact O-CB 3.45Å; Q154-W158 PolarHBondContact O-N 3.32Å; G155-W158 PolarHBondContact O-N 3.41Å; W158-Q160 VanDerWaalsContact C-N 3.31Å; W158-Q160 PolarHBondContact O-N 2.83Å; W158-R161 WeakPolarHBondContact O-CB 3.48Å; W158-R161 PolarHBondContact O-N 3.3Å; W158-R161 VanDerWaalsContact O-N 3.14Å; W158-E162 VanDerWaalsContact NE1-CD 3.33Å; W158-E162 PolarHBondContact NE1-OE1 3.19Å; W158-E162 WeakPolarHBondContact O-CG 3.21Å; W158-E162 PolarHBondContact O-N 2.79Å |
| 159 | R | 80.5 | Confident | 84.8 | Confident | 173 Ų | 173 | 110.1 Ų | 110.1 | 65% | 0.653 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.4 | -38 | 175.6 | -71.2 | -65.3 | -162.3 | 167.5 | 6.5 | 112.7 | G155 A156 E162 T163 | G155-R159 WeakPolarHBondContact O-CB 3.11Å; G155-R159 VanDerWaalsContact O-CG 3.26Å; G155-R159 WeakPolarHBondContact O-CG 3.33Å; G155-R159 PolarHBondContact O-N 2.8Å; A156-R159 PolarHBondContact O-N 3.29Å; R159-E162 WeakPolarHBondContact CD-OE2 3.38Å; R159-E162 IonicContact NH1-OE2 3.74Å; R159-E162 PolarHBondContact O-N 3.09Å; R159-T163 PolarHBondContact O-N 3.5Å; R159-T163 PolarHBondContact O-OG1 3.36Å |
| 160 | Q | 84.5 | Confident | 85.4 | Confident | 129 Ų | 129 | 106 Ų | 106 | 60% | 0.603 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 174 | -174.6 | 178.9 | -4.9 | 0 | 0 | 111.1 | A156 W158 T163 L164 | A156-Q160 PolarHBondContact O-N 3.38Å; W158-Q160 VanDerWaalsContact C-N 3.31Å; W158-Q160 PolarHBondContact O-N 2.83Å; Q160-T163 PolarHBondContact O-N 2.91Å; Q160-L164 WeakPolarHBondContact O-CG 3.2Å; Q160-L164 PolarHBondContact O-N 3.45Å; Q160-L164 VanDerWaalsContact O-N 3.09Å |
| 161 | R | 85.8 | Confident | 86.3 | Confident | 162 Ų | 162 | 107.2 Ų | 107.2 | 61% | 0.611 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 175.7 | -72.8 | 175.2 | 176.6 | -164.7 | -0 | 112.4 | T157 W158 T163 L164 I165 | T157-R161 WeakPolarHBondContact O-CG 3.22Å; T157-R161 PolarHBondContact O-N 3.29Å; T157-R161 VanDerWaalsContact O-N 3.08Å; W158-R161 WeakPolarHBondContact O-CB 3.48Å; W158-R161 PolarHBondContact O-N 3.3Å; W158-R161 VanDerWaalsContact O-N 3.14Å; R161-T163 VanDerWaalsContact C-N 3.33Å; R161-T163 PolarHBondContact O-N 2.83Å; R161-L164 PolarHBondContact O-N 2.87Å; R161-I165 WeakPolarHBondContact O-CG1 3.44Å; R161-I165 PolarHBondContact O-N 3.38Å |
| 162 | E | 91.9 | Very high | 87.2 | Confident | 66 Ų | 66 | 104.4 Ų | 104.4 | 31% | 0.308 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 173.8 | -75.4 | -179.3 | 160.9 | 0 | 0 | 111.4 | W158 R159 L164 I165 I166 | W158-E162 VanDerWaalsContact NE1-CD 3.33Å; W158-E162 PolarHBondContact NE1-OE1 3.19Å; W158-E162 WeakPolarHBondContact O-CG 3.21Å; W158-E162 PolarHBondContact O-N 2.79Å; R159-E162 WeakPolarHBondContact CD-OE2 3.38Å; R159-E162 IonicContact NH1-OE2 3.74Å; R159-E162 PolarHBondContact O-N 3.09Å; E162-L164 VanDerWaalsContact C-N 3.31Å; E162-L164 PolarHBondContact O-N 3.44Å; E162-I165 PolarHBondContact O-N 2.78Å; E162-I166 VanDerWaalsContact O-CG1 3.3Å; E162-I166 WeakPolarHBondContact O-CG1 3.11Å; E162-I166 PolarHBondContact O-N 2.79Å |
| 163 | T | 93.3 | Very high | 87.7 | Confident | 93 Ų | 93 | 100.2 Ų | 100.2 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.5 | -42.8 | 176.8 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | R159 Q160 R161 I166 A167 | R159-T163 PolarHBondContact O-N 3.5Å; R159-T163 PolarHBondContact O-OG1 3.36Å; Q160-T163 PolarHBondContact O-N 2.91Å; R161-T163 VanDerWaalsContact C-N 3.33Å; R161-T163 PolarHBondContact O-N 2.83Å; T163-I166 PolarHBondContact O-N 3.31Å; T163-A167 VanDerWaalsContact O-CB 3.31Å; T163-A167 WeakPolarHBondContact O-CB 3.17Å; T163-A167 PolarHBondContact O-N 3.46Å |
| 164 | L | 94.5 | Very high | 88.7 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 176.9 | -68.8 | 173.5 | 0 | 0 | 0 | 112.4 | Q160 R161 E162 A167 M168 | Q160-L164 WeakPolarHBondContact O-CG 3.2Å; Q160-L164 PolarHBondContact O-N 3.45Å; Q160-L164 VanDerWaalsContact O-N 3.09Å; R161-L164 PolarHBondContact O-N 2.87Å; E162-L164 VanDerWaalsContact C-N 3.31Å; E162-L164 PolarHBondContact O-N 3.44Å; L164-A167 PolarHBondContact O-N 2.96Å; L164-M168 WeakPolarHBondContact O-CB 3.37Å; L164-M168 PolarHBondContact O-N 3.29Å |
| 165 | I | 94.5 | Very high | 90 | Very high | 116 Ų | 116 | 95.7 Ų | 95.7 | 60% | 0.595 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -45.2 | 177.1 | -67.1 | 165.4 | 0 | 0 | 0 | 110.4 | R161 E162 M168 L169 | R161-I165 WeakPolarHBondContact O-CG1 3.44Å; R161-I165 PolarHBondContact O-N 3.38Å; E162-I165 PolarHBondContact O-N 2.78Å; I165-M168 PolarHBondContact O-N 2.86Å; I165-L169 WeakPolarHBondContact O-CB 3.22Å; I165-L169 PolarHBondContact O-N 3.45Å |
| 166 | I | 95.8 | Very high | 91 | Very high | 105 Ų | 105 | 99.6 Ų | 99.6 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 177.4 | -67.1 | 166.1 | 0 | 0 | 0 | 110.1 | E162 T163 M168 L169 V170 | E162-I166 VanDerWaalsContact O-CG1 3.3Å; E162-I166 WeakPolarHBondContact O-CG1 3.11Å; E162-I166 PolarHBondContact O-N 2.79Å; T163-I166 PolarHBondContact O-N 3.31Å; I166-M168 VanDerWaalsContact C-N 3.33Å; I166-M168 PolarHBondContact O-N 3.08Å; I166-L169 PolarHBondContact O-N 2.84Å; I166-V170 HydrophobicContact CG2-CG2 4.29Å; I166-V170 WeakPolarHBondContact O-CB 3.28Å; I166-V170 VanDerWaalsContact O-CG2 3.29Å; I166-V170 WeakPolarHBondContact O-CG2 3.25Å; I166-V170 PolarHBondContact O-N 2.62Å |
| 167 | A | 96.7 | Very high | 92.1 | Very high | 56 Ų | 56 | 101.5 Ų | 101.5 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T163 L164 V170 S171 | T163-A167 VanDerWaalsContact O-CB 3.31Å; T163-A167 WeakPolarHBondContact O-CB 3.17Å; T163-A167 PolarHBondContact O-N 3.46Å; L164-A167 PolarHBondContact O-N 2.96Å; A167-V170 PolarHBondContact O-N 2.93Å; A167-S171 WeakPolarHBondContact O-CB 3.17Å; A167-S171 PolarHBondContact O-N 2.8Å; A167-S171 PolarHBondContact O-OG 3.5Å |
| 168 | M | 97.1 | Very high | 93.1 | Very high | 142 Ų | 142 | 106.4 Ų | 106.4 | 70% | 0.7 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.8 | -39.6 | 175.5 | -174.1 | -179.2 | -179.6 | 0 | 0 | 112.1 | L164 I165 I166 S171 A172 | L164-M168 WeakPolarHBondContact O-CB 3.37Å; L164-M168 PolarHBondContact O-N 3.29Å; I165-M168 PolarHBondContact O-N 2.86Å; I166-M168 VanDerWaalsContact C-N 3.33Å; I166-M168 PolarHBondContact O-N 3.08Å; M168-S171 PolarHBondContact O-OG 3.46Å; M168-A172 VanDerWaalsContact O-CB 3.31Å; M168-A172 WeakPolarHBondContact O-CB 3.2Å; M168-A172 PolarHBondContact O-N 3.25Å |
| 169 | L | 97 | Very high | 93.8 | Very high | 117 Ų | 117 | 104.3 Ų | 104.3 | 61% | 0.613 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.3 | -42.2 | 176.9 | -173.9 | 66.8 | 0 | 0 | 0 | 111.3 | I165 I166 A172 S173 | I165-L169 WeakPolarHBondContact O-CB 3.22Å; I165-L169 PolarHBondContact O-N 3.45Å; I166-L169 PolarHBondContact O-N 2.84Å; L169-A172 PolarHBondContact O-N 3.46Å; L169-S173 WeakPolarHBondContact O-CB 3.14Å; L169-S173 PolarHBondContact O-N 3.17Å; L169-S173 PolarHBondContact O-OG 3.04Å |
| 170 | V | 97.5 | Very high | 94.4 | Very high | 75 Ų | 75 | 105 Ų | 105 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 176.7 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | I166 A167 S173 I174 | I166-V170 HydrophobicContact CG2-CG2 4.29Å; I166-V170 WeakPolarHBondContact O-CB 3.28Å; I166-V170 VanDerWaalsContact O-CG2 3.29Å; I166-V170 WeakPolarHBondContact O-CG2 3.25Å; I166-V170 PolarHBondContact O-N 2.62Å; A167-V170 PolarHBondContact O-N 2.93Å; V170-S173 WeakPolarHBondContact O-CB 3.25Å; V170-S173 PolarHBondContact O-N 3.46Å; V170-I174 HydrophobicContact CG1-CD1 3.75Å; V170-I174 HydrophobicContact CG1-CG1 4.38Å; V170-I174 VanDerWaalsContact O-CG1 3.28Å; V170-I174 WeakPolarHBondContact O-CG1 3.28Å; V170-I174 PolarHBondContact O-N 2.94Å |
| 171 | S | 95.6 | Very high | 94.7 | Very high | 69 Ų | 69 | 105.7 Ų | 105.7 | 48% | 0.483 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.3 | -43.1 | 178.1 | 68.5 | 0 | 0 | 0 | 0 | 112.1 | A167 M168 S173 I174 A175 | A167-S171 WeakPolarHBondContact O-CB 3.17Å; A167-S171 PolarHBondContact O-N 2.8Å; A167-S171 PolarHBondContact O-OG 3.5Å; M168-S171 PolarHBondContact O-OG 3.46Å; S171-S173 VanDerWaalsContact C-N 3.3Å; S171-S173 PolarHBondContact O-N 2.9Å; S171-I174 PolarHBondContact O-N 3.05Å; S171-A175 WeakPolarHBondContact O-CB 3.2Å; S171-A175 PolarHBondContact O-N 3.43Å |
| 172 | A | 96.7 | Very high | 94.7 | Very high | 53 Ų | 53 | 103.1 Ų | 103.1 | 44% | 0.438 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M168 L169 A175 N176 | M168-A172 VanDerWaalsContact O-CB 3.31Å; M168-A172 WeakPolarHBondContact O-CB 3.2Å; M168-A172 PolarHBondContact O-N 3.25Å; L169-A172 PolarHBondContact O-N 3.46Å; A172-A175 PolarHBondContact O-N 3.33Å; A172-N176 VanDerWaalsContact O-CB 3.22Å; A172-N176 WeakPolarHBondContact O-CB 3.41Å; A172-N176 PolarHBondContact O-N 3.08Å |
| 173 | S | 94 | Very high | 93.8 | Very high | 54 Ų | 54 | 110.1 Ų | 110.1 | 38% | 0.378 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.6 | -43.6 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | L169 V170 S171 N176 L177 | L169-S173 WeakPolarHBondContact O-CB 3.14Å; L169-S173 PolarHBondContact O-N 3.17Å; L169-S173 PolarHBondContact O-OG 3.04Å; V170-S173 WeakPolarHBondContact O-CB 3.25Å; V170-S173 PolarHBondContact O-N 3.46Å; S171-S173 VanDerWaalsContact C-N 3.3Å; S171-S173 PolarHBondContact O-N 2.9Å; S173-N176 PolarHBondContact O-N 2.76Å; S173-L177 WeakPolarHBondContact O-CB 3.42Å; S173-L177 WeakPolarHBondContact O-CD1 3.28Å; S173-L177 VanDerWaalsContact O-CG 3.3Å; S173-L177 WeakPolarHBondContact O-CG 3.38Å; S173-L177 PolarHBondContact O-N 3.5Å |
| 174 | I | 96.3 | Very high | 93.9 | Very high | 103 Ų | 103 | 111 Ų | 111 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.7 | -46.2 | 176.4 | -67.4 | 165 | 0 | 0 | 0 | 110.3 | V170 S171 N176 L177 W178 | V170-I174 HydrophobicContact CG1-CD1 3.75Å; V170-I174 HydrophobicContact CG1-CG1 4.38Å; V170-I174 VanDerWaalsContact O-CG1 3.28Å; V170-I174 WeakPolarHBondContact O-CG1 3.28Å; V170-I174 PolarHBondContact O-N 2.94Å; S171-I174 PolarHBondContact O-N 3.05Å; I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 3.43Å; I174-L177 PolarHBondContact O-N 3.41Å; I174-W178 VanDerWaalsContact O-CB 3.25Å; I174-W178 WeakPolarHBondContact O-CB 3.39Å; I174-W178 PolarHBondContact O-N 2.81Å |
| 175 | A | 95.4 | Very high | 93.8 | Very high | 60 Ų | 60 | 110.8 Ų | 110.8 | 50% | 0.496 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | S171 A172 W178 L179 | S171-A175 WeakPolarHBondContact O-CB 3.2Å; S171-A175 PolarHBondContact O-N 3.43Å; A172-A175 PolarHBondContact O-N 3.33Å; A175-W178 PolarHBondContact O-N 3.43Å; A175-L179 WeakPolarHBondContact O-CB 3.17Å; A175-L179 PolarHBondContact O-N 3.08Å |
| 176 | N | 94.8 | Very high | 93.8 | Very high | 112 Ų | 112 | 110.5 Ų | 110.5 | 60% | 0.599 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.4 | -44.2 | 177.1 | -170.3 | 58.2 | 0 | 0 | 0 | 112.2 | A172 S173 I174 W178 L179 W180 | A172-N176 VanDerWaalsContact O-CB 3.22Å; A172-N176 WeakPolarHBondContact O-CB 3.41Å; A172-N176 PolarHBondContact O-N 3.08Å; S173-N176 PolarHBondContact O-N 2.76Å; I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 3.43Å; N176-W178 VanDerWaalsContact C-N 3.33Å; N176-L179 PolarHBondContact O-N 2.84Å; N176-W180 WeakPolarHBondContact O-CB 3.2Å; N176-W180 PolarHBondContact O-N 3.07Å |
| 177 | L | 95.8 | Very high | 93.7 | Very high | 104 Ų | 104 | 110.8 Ų | 110.8 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.6 | -41.8 | 173.6 | -77 | 160.5 | 0 | 0 | 0 | 111.7 | S173 I174 W180 M181 | S173-L177 WeakPolarHBondContact O-CB 3.42Å; S173-L177 WeakPolarHBondContact O-CD1 3.28Å; S173-L177 VanDerWaalsContact O-CG 3.3Å; S173-L177 WeakPolarHBondContact O-CG 3.38Å; S173-L177 PolarHBondContact O-N 3.5Å; I174-L177 PolarHBondContact O-N 3.41Å; L177-W180 PolarHBondContact O-N 3.16Å; L177-M181 WeakPolarHBondContact O-CG 3.15Å; L177-M181 PolarHBondContact O-N 3.24Å |
| 178 | W | 96.6 | Very high | 93.5 | Very high | 176 Ų | 176 | 114.3 Ų | 114.3 | 67% | 0.667 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.4 | -43.7 | 178 | -177.4 | -95.4 | 0 | 0 | 0 | 112.1 | I174 A175 N176 W180 M181 N182 | I174-W178 VanDerWaalsContact O-CB 3.25Å; I174-W178 WeakPolarHBondContact O-CB 3.39Å; I174-W178 PolarHBondContact O-N 2.81Å; A175-W178 PolarHBondContact O-N 3.43Å; N176-W178 VanDerWaalsContact C-N 3.33Å; W178-W180 VanDerWaalsContact C-N 3.3Å; W178-W180 PolarHBondContact O-N 3.19Å; W178-M181 PolarHBondContact O-N 2.99Å; W178-N182 VanDerWaalsContact CD1-ND2 3.33Å; W178-N182 PolarHBondContact NE1-ND2 2.87Å; W178-N182 PolarHBondContact O-N 2.88Å; W178-N182 VanDerWaalsContact O-N 3.07Å; W178-N182 PolarHBondContact O-ND2 3.07Å |
| 179 | L | 94.7 | Very high | 93.3 | Very high | 112 Ų | 112 | 112.4 Ų | 112.4 | 59% | 0.586 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62 | -41.9 | 174.9 | -173.3 | 70.7 | 0 | 0 | 0 | 110.8 | A175 N176 M181 N182 Q183 | A175-L179 WeakPolarHBondContact O-CB 3.17Å; A175-L179 PolarHBondContact O-N 3.08Å; N176-L179 PolarHBondContact O-N 2.84Å; L179-M181 VanDerWaalsContact C-N 3.34Å; L179-M181 PolarHBondContact O-N 2.94Å; L179-N182 PolarHBondContact O-N 2.64Å; L179-Q183 WeakPolarHBondContact O-CB 3.49Å; L179-Q183 PolarHBondContact O-N 3.35Å |
| 180 | W | 94.4 | Very high | 93 | Very high | 188 Ų | 188 | 112.1 Ų | 112.1 | 71% | 0.712 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.1 | -36.3 | 177.6 | -173.4 | 78.1 | 0 | 0 | 0 | 113 | N176 L177 W178 | N176-W180 WeakPolarHBondContact O-CB 3.2Å; N176-W180 PolarHBondContact O-N 3.07Å; L177-W180 PolarHBondContact O-N 3.16Å; W178-W180 VanDerWaalsContact C-N 3.3Å; W178-W180 PolarHBondContact O-N 3.19Å |
| 181 | M | 89.4 | Confident | 92.6 | Very high | 143 Ų | 143 | 114.9 Ų | 114.9 | 70% | 0.704 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -76.6 | -23.8 | 176.6 | -74.7 | -174.9 | 67.9 | 0 | 0 | 114.1 | L177 W178 L179 | L177-M181 WeakPolarHBondContact O-CG 3.15Å; L177-M181 PolarHBondContact O-N 3.24Å; W178-M181 PolarHBondContact O-N 2.99Å; L179-M181 VanDerWaalsContact C-N 3.34Å; L179-M181 PolarHBondContact O-N 2.94Å |
| 182 | N | 86.5 | Confident | 92.4 | Very high | 107 Ų | 107 | 118.8 Ų | 118.8 | 57% | 0.572 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 5.3 | 179.4 | -74.6 | -68.2 | 0 | 0 | 0 | 113.7 | W178 L179 | W178-N182 VanDerWaalsContact CD1-ND2 3.33Å; W178-N182 PolarHBondContact NE1-ND2 2.87Å; W178-N182 PolarHBondContact O-N 2.88Å; W178-N182 VanDerWaalsContact O-N 3.07Å; W178-N182 PolarHBondContact O-ND2 3.07Å; L179-N182 PolarHBondContact O-N 2.64Å |
| 183 | Q | 74.1 | Confident | 92 | Very high | 213 Ų | 213 | 124.7 Ų | 124.7 | 100% | 0.995 | 62% | 0.617 | S | S | * | * | trans | -101.2 | 0 | 175.7 | -169.4 | 166.8 | 45.9 | 0 | 0 | 110.2 | L179 | L179-Q183 WeakPolarHBondContact O-CB 3.49Å; L179-Q183 PolarHBondContact O-N 3.35Å |
Retrieved 183 of 183 residues in 38.2 ms
(Link to these results)