| 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 | 47.9 | Very low | 54.5 | Low | 237 Ų | 237 | 113.5 Ų | 113.5 | 100% | 1.167 | 63% | 0.633 | S | S | * | * | 0 | 2.6 | 0 | -72.4 | -147 | 177.1 | 0 | 0 | 114.9 | |||||
| 2 | Q | 53.8 | Low | 54.2 | Low | 182 Ų | 182 | 120.8 Ų | 120.8 | 85% | 0.85 | 64% | 0.643 | S | S | * | * | trans | -93 | -25.2 | 178.3 | -132.9 | 151.4 | -42.7 | 0 | 0 | 113.9 | S6 | Q2-S6 PolarHBondContact O-OG 3.47Š| ||
| 3 | A | 53.9 | Low | 53.7 | Low | 79 Ų | 79 | 126.5 Ų | 126.5 | 65% | 0.653 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.3 | -22.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 4 | W | 42 | Very low | 53.1 | Low | 195 Ų | 195 | 129.9 Ų | 129.9 | 74% | 0.739 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.5 | -32.1 | -179.5 | -160.5 | -99.4 | 0 | 0 | 0 | 112.2 | S6 L7 L8 | W4-S6 VanDerWaalsContact C-N 3.34Å; W4-S6 PolarHBondContact O-N 3.34Å; W4-L7 PolarHBondContact O-N 3.5Å; W4-L8 VanDerWaalsContact CD1-CD1 3.49Å; W4-L8 HydrophobicContact CG-CD1 4.49Å; W4-L8 PolarHBondContact O-N 3.47Å |
| 5 | G | 61.3 | Low | 53 | Low | 47 Ų | 47 | 132.3 Ų | 132.3 | 49% | 0.485 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -67.5 | -32 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S9 | G5-S9 WeakPolarHBondContact O-CB 3.31Å; G5-S9 PolarHBondContact O-N 3.01Å; G5-S9 PolarHBondContact O-OG 2.95Å |
| 6 | S | 56.4 | Low | 52.6 | Low | 80 Ų | 80 | 137.6 Ų | 137.6 | 56% | 0.559 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.5 | -28.7 | -179.3 | -41.1 | 0 | 0 | 0 | 0 | 113.2 | Q2 W4 S9 G10 | Q2-S6 PolarHBondContact O-OG 3.47Å; W4-S6 VanDerWaalsContact C-N 3.34Å; W4-S6 PolarHBondContact O-N 3.34Å; S6-S9 VanDerWaalsContact C-OG 3.3Å; S6-S9 VanDerWaalsContact CA-OG 3.22Å; S6-S9 WeakPolarHBondContact CA-OG 3.18Å; S6-S9 PolarHBondContact O-OG 3.44Å; S6-S9 VanDerWaalsContact O-OG 3.06Å; S6-G10 PolarHBondContact O-N 2.87Å |
| 7 | L | 59.6 | Low | 52.3 | Low | 113 Ų | 113 | 143.9 Ų | 143.9 | 59% | 0.592 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -84.7 | -36.3 | -177.2 | -149.8 | 157.3 | 0 | 0 | 0 | 111.2 | W4 S9 G10 L11 | W4-L7 PolarHBondContact O-N 3.5Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.1Å; L7-G10 PolarHBondContact O-N 2.85Å; L7-L11 HydrophobicContact CD2-CD1 3.85Å; L7-L11 PolarHBondContact O-N 3.48Å |
| 8 | L | 59.9 | Low | 52.7 | Low | 93 Ų | 93 | 141.4 Ų | 141.4 | 49% | 0.487 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -67.7 | -29.9 | 169.5 | -78.7 | 160.4 | 0 | 0 | 0 | 112.9 | W4 G10 R12 | W4-L8 VanDerWaalsContact CD1-CD1 3.49Å; W4-L8 HydrophobicContact CG-CD1 4.49Å; W4-L8 PolarHBondContact O-N 3.47Å; L8-G10 VanDerWaalsContact C-N 3.33Å; L8-R12 WeakPolarHBondContact O-CB 3.24Å; L8-R12 PolarHBondContact O-N 3.25Å; L8-R12 VanDerWaalsContact O-N 3.1Å |
| 9 | S | 55.9 | Low | 52.5 | Low | 55 Ų | 55 | 140.2 Ų | 140.2 | 39% | 0.385 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -81.3 | -12.5 | 173.9 | 46 | 0 | 0 | 0 | 0 | 113.5 | G5 S6 L7 | G5-S9 WeakPolarHBondContact O-CB 3.31Å; G5-S9 PolarHBondContact O-N 3.01Å; G5-S9 PolarHBondContact O-OG 2.95Å; S6-S9 VanDerWaalsContact C-OG 3.3Å; S6-S9 VanDerWaalsContact CA-OG 3.22Å; S6-S9 WeakPolarHBondContact CA-OG 3.18Å; S6-S9 PolarHBondContact O-OG 3.44Å; S6-S9 VanDerWaalsContact O-OG 3.06Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.1Å |
| 10 | G | 53.6 | Low | 52.5 | Low | 33 Ų | 33 | 138.5 Ų | 138.5 | 34% | 0.34 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -78.4 | -50.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S6 L7 L8 R12 R13 | S6-G10 PolarHBondContact O-N 2.87Å; L7-G10 PolarHBondContact O-N 2.85Å; L8-G10 VanDerWaalsContact C-N 3.33Å; G10-R12 PolarHBondContact O-N 3.06Å; G10-R13 PolarHBondContact O-N 2.68Å; G10-R13 VanDerWaalsContact O-N 3.09Å |
| 11 | L | 54.8 | Low | 52.4 | Low | 135 Ų | 135 | 137.1 Ų | 137.1 | 71% | 0.707 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -68.9 | -16.2 | -179.6 | -105.3 | 106.2 | 0 | 0 | 0 | 114.8 | L7 | L7-L11 HydrophobicContact CD2-CD1 3.85Å; L7-L11 PolarHBondContact O-N 3.48Å |
| 12 | R | 51.5 | Low | 51.9 | Low | 200 Ų | 200 | 134.2 Ų | 134.2 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -6.7 | 174.5 | -169.2 | -178.5 | -69.3 | -149.1 | -2.3 | 113.1 | L8 G10 | L8-R12 WeakPolarHBondContact O-CB 3.24Å; L8-R12 PolarHBondContact O-N 3.25Å; L8-R12 VanDerWaalsContact O-N 3.1Å; G10-R12 PolarHBondContact O-N 3.06Å |
| 13 | R | 47.9 | Very low | 51.4 | Low | 195 Ų | 195 | 130.3 Ų | 130.3 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -95.4 | -11 | -174.6 | -148.7 | -165.6 | -64.8 | -112.9 | 5.1 | 113.6 | G10 | G10-R13 PolarHBondContact O-N 2.68Å; G10-R13 VanDerWaalsContact O-N 3.09Å |
| 14 | E | 45.3 | Very low | 51.5 | Low | 175 Ų | 175 | 132.1 Ų | 132.1 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -98.4 | -5.1 | -176.8 | -63.7 | -169.5 | 94.7 | 0 | 0 | 114 | W16 | E14-W16 VanDerWaalsContact C-N 3.34Å; E14-W16 PolarHBondContact O-N 3.22Å |
| 15 | E | 51 | Low | 52.3 | Low | 166 Ų | 166 | 127.7 Ų | 127.7 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -85.6 | 0.9 | 178.4 | -169.2 | 135.8 | 69.2 | 0 | 0 | 114.1 | ||
| 16 | W | 46 | Very low | 52 | Low | 216 Ų | 216 | 129.2 Ų | 129.2 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -129.6 | 69.6 | 180 | -72.1 | 101.3 | 0 | 0 | 0 | 113.5 | E14 | E14-W16 VanDerWaalsContact C-N 3.34Å; E14-W16 PolarHBondContact O-N 3.22Å | ||
| 17 | R | 48 | Very low | 52.1 | Low | 245 Ų | 245 | 130 Ų | 130 | 93% | 0.925 | 69% | 0.687 | S | S | * | * | trans | -134.4 | 95.9 | 157.9 | -136.5 | -178.6 | -74.9 | -169.6 | 0.9 | 110.6 | ||||
| 18 | S | 59.9 | Low | 52.5 | Low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | trans | -47.7 | 170.3 | -174.5 | -41.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 19 | P | 48 | Very low | 53.2 | Low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | -142.3 | 140.8 | 81.5 | 34.1 | -15.1 | 0 | 0 | 0 | 117.2 | |||||
| 20 | S | 54 | Low | 53.8 | Low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | 37.3 | 115.8 | 136.7 | -36 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 21 | S | 49.2 | Very low | 54.7 | Low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | 136.5 | 114.2 | 119.9 | -55.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 22 | H | 38.4 | Very low | 56.1 | Low | 176 Ų | 176 | 126.9 Ų | 126.9 | 82% | 0.815 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 90.1 | 93.8 | 171.7 | -70.2 | -152.1 | 0 | 0 | 0 | 117.5 | ||
| 23 | C | 42.4 | Very low | 57.5 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | trans | 41.4 | 118.9 | 151.2 | -68.2 | 0 | 0 | 0 | 0 | 117.3 | V25 P26 | C23-V25 HydrophobicContact CB-CG2 4.18Å; C23-V25 PolarHBondContact O-N 3.5Å; C23-P26 WeakPolarHBondContact O-CD 3.34Å | ||
| 24 | S | 56.5 | Low | 58.4 | Low | 117 Ų | 117 | 121.3 Ų | 121.3 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -45.5 | 11.6 | 170.4 | -49.2 | 0 | 0 | 0 | 0 | 119.3 | P26 | S24-P26 VanDerWaalsContact C-CD 3.45Š|
| 25 | V | 59.1 | Low | 59.9 | Low | 101 Ų | 101 | 114.9 Ų | 114.9 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.6 | -31.8 | 168.1 | -169.9 | 0 | 0 | 0 | 0 | 114.2 | C23 S27 L28 A29 | C23-V25 HydrophobicContact CB-CG2 4.18Å; C23-V25 PolarHBondContact O-N 3.5Å; V25-S27 PolarHBondContact O-N 3.06Å; V25-L28 PolarHBondContact O-N 2.84Å; V25-A29 HydrophobicContact CG1-CB 4.41Å; V25-A29 WeakPolarHBondContact O-CA 3.47Å; V25-A29 WeakPolarHBondContact O-CB 3.23Å; V25-A29 PolarHBondContact O-N 3.34Å |
| 26 | P | 54.3 | Low | 61.3 | Low | 79 Ų | 79 | 110.1 Ų | 110.1 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -78.2 | -19.3 | -172.4 | 34.1 | -37.5 | 0 | 0 | 0 | 111.9 | C23 S24 A30 | C23-P26 WeakPolarHBondContact O-CD 3.34Å; S24-P26 VanDerWaalsContact C-CD 3.45Å; P26-A30 VanDerWaalsContact O-CA 3.29Å; P26-A30 WeakPolarHBondContact O-CA 3.33Å; P26-A30 WeakPolarHBondContact O-CB 3.22Å; P26-A30 PolarHBondContact O-N 2.84Å |
| 27 | S | 57.9 | Low | 62.5 | Low | 98 Ų | 98 | 105.1 Ų | 105.1 | 69% | 0.685 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81 | -39.5 | 173.4 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | V25 G31 | V25-S27 PolarHBondContact O-N 3.06Å; S27-G31 PolarHBondContact O-N 3.31Å |
| 28 | L | 68.4 | Low | 63.5 | Low | 123 Ų | 123 | 96 Ų | 96 | 64% | 0.644 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.9 | -39.8 | 172.4 | -134.9 | 159.4 | 0 | 0 | 0 | 111 | V25 L32 | V25-L28 PolarHBondContact O-N 2.84Å; L28-L32 HydrophobicContact CD2-CD1 4.02Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.35Å; L28-L32 PolarHBondContact O-N 2.86Å |
| 29 | A | 75.6 | Confident | 64.2 | Low | 33 Ų | 33 | 92.7 Ų | 92.7 | 27% | 0.273 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.6 | -38.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | V25 G31 L32 L33 | V25-A29 HydrophobicContact CG1-CB 4.41Å; V25-A29 WeakPolarHBondContact O-CA 3.47Å; V25-A29 WeakPolarHBondContact O-CB 3.23Å; V25-A29 PolarHBondContact O-N 3.34Å; A29-G31 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 3.01Å; A29-L32 PolarHBondContact O-N 3.28Å; A29-L33 WeakPolarHBondContact O-CA 3.49Å; A29-L33 WeakPolarHBondContact O-CB 3.26Å; A29-L33 WeakPolarHBondContact O-CG 3.5Å; A29-L33 PolarHBondContact O-N 3.43Å |
| 30 | A | 68.8 | Low | 65 | Low | 54 Ų | 54 | 92.3 Ų | 92.3 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.8 | -36.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | P26 F34 | P26-A30 VanDerWaalsContact O-CA 3.29Å; P26-A30 WeakPolarHBondContact O-CA 3.33Å; P26-A30 WeakPolarHBondContact O-CB 3.22Å; P26-A30 PolarHBondContact O-N 2.84Å; A30-F34 WeakPolarHBondContact O-CA 3.37Å; A30-F34 WeakPolarHBondContact O-CB 3.27Å; A30-F34 PolarHBondContact O-N 3.48Å |
| 31 | G | 71.8 | Confident | 65.3 | Low | 44 Ų | 44 | 87.6 Ų | 87.6 | 45% | 0.454 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | S27 A29 G35 | S27-G31 PolarHBondContact O-N 3.31Å; A29-G31 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 3.01Å; G31-G35 WeakPolarHBondContact O-CA 3.47Å; G31-G35 PolarHBondContact O-N 3.27Å |
| 32 | L | 83.5 | Confident | 65.7 | Low | 109 Ų | 109 | 84.9 Ų | 84.9 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -72.3 | -36.7 | 175.4 | -83.5 | 168.3 | 0 | 0 | 0 | 113.1 | L28 A29 S36 | L28-L32 HydrophobicContact CD2-CD1 4.02Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.35Å; L28-L32 PolarHBondContact O-N 2.86Å; A29-L32 PolarHBondContact O-N 3.28Å; L32-S36 WeakPolarHBondContact O-CB 3.17Å; L32-S36 PolarHBondContact O-N 3.39Å; L32-S36 PolarHBondContact O-OG 3.16Å |
| 33 | L | 80.7 | Confident | 66.4 | Low | 121 Ų | 121 | 85.1 Ų | 85.1 | 63% | 0.634 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.4 | -44.7 | 175.9 | -71 | 172.8 | 0 | 0 | 0 | 109.9 | A29 S36 L37 | A29-L33 WeakPolarHBondContact O-CA 3.49Å; A29-L33 WeakPolarHBondContact O-CB 3.26Å; A29-L33 WeakPolarHBondContact O-CG 3.5Å; A29-L33 PolarHBondContact O-N 3.43Å; L33-S36 PolarHBondContact O-N 2.84Å; L33-L37 WeakPolarHBondContact O-CB 3.33Å; L33-L37 PolarHBondContact O-N 3.44Å |
| 34 | F | 67.9 | Low | 66.9 | Low | 156 Ų | 156 | 85.3 Ų | 85.3 | 68% | 0.684 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 174 | -177.6 | -107 | 0 | 0 | 0 | 111.4 | A30 L37 A38 | A30-F34 WeakPolarHBondContact O-CA 3.37Å; A30-F34 WeakPolarHBondContact O-CB 3.27Å; A30-F34 PolarHBondContact O-N 3.48Å; F34-L37 PolarHBondContact O-N 2.97Å; F34-A38 WeakPolarHBondContact O-CB 3.45Å; F34-A38 PolarHBondContact O-N 2.86Å |
| 35 | G | 77.4 | Confident | 66.4 | Low | 41 Ų | 41 | 84.6 Ų | 84.6 | 42% | 0.423 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G31 A38 G39 | G31-G35 WeakPolarHBondContact O-CA 3.47Å; G31-G35 PolarHBondContact O-N 3.27Å; G35-A38 PolarHBondContact O-N 3.09Å; G35-G39 PolarHBondContact O-N 3.1Å |
| 36 | S | 79.1 | Confident | 65.6 | Low | 66 Ų | 66 | 89.8 Ų | 89.8 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.4 | -39 | 175.3 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | L32 L33 G39 L40 | L32-S36 WeakPolarHBondContact O-CB 3.17Å; L32-S36 PolarHBondContact O-N 3.39Å; L32-S36 PolarHBondContact O-OG 3.16Å; L33-S36 PolarHBondContact O-N 2.84Å; S36-G39 PolarHBondContact O-N 3.24Å; S36-L40 WeakPolarHBondContact O-CB 3.27Å; S36-L40 WeakPolarHBondContact O-CG 3.22Å; S36-L40 PolarHBondContact O-N 3.3Å |
| 37 | L | 70.6 | Confident | 65.4 | Low | 111 Ų | 111 | 93.3 Ų | 93.3 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.3 | -38.5 | 174.4 | -135.9 | 94.3 | 0 | 0 | 0 | 111.4 | L33 F34 G41 | L33-L37 WeakPolarHBondContact O-CB 3.33Å; L33-L37 PolarHBondContact O-N 3.44Å; F34-L37 PolarHBondContact O-N 2.97Å; L37-G41 VanDerWaalsContact O-CA 3.3Å; L37-G41 WeakPolarHBondContact O-CA 3.48Å; L37-G41 PolarHBondContact O-N 3.45Å |
| 38 | A | 70.6 | Confident | 64.9 | Low | 53 Ų | 53 | 93.3 Ų | 93.3 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.3 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F34 G35 A42 | F34-A38 WeakPolarHBondContact O-CB 3.45Å; F34-A38 PolarHBondContact O-N 2.86Å; G35-A38 PolarHBondContact O-N 3.09Å; A38-A42 VanDerWaalsContact O-CB 3.32Å; A38-A42 WeakPolarHBondContact O-CB 3.21Å; A38-A42 PolarHBondContact O-N 3.41Å |
| 39 | G | 72.9 | Confident | 64.1 | Low | 29 Ų | 29 | 92.9 Ų | 92.9 | 30% | 0.299 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -54.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G35 S36 G41 A42 Y43 | G35-G39 PolarHBondContact O-N 3.1Å; S36-G39 PolarHBondContact O-N 3.24Å; G39-G41 PolarHBondContact O-N 3.23Å; G39-A42 WeakPolarHBondContact O-CB 3.32Å; G39-A42 PolarHBondContact O-N 3.29Å; G39-A42 VanDerWaalsContact O-N 3.09Å; G39-Y43 WeakPolarHBondContact O-CD2 3.31Å; G39-Y43 PolarHBondContact O-N 3.17Å |
| 40 | L | 66.6 | Low | 62.9 | Low | 112 Ų | 112 | 102.4 Ų | 102.4 | 59% | 0.586 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64 | -30.6 | 176.3 | -69.4 | 174 | 0 | 0 | 0 | 112.6 | S36 Q44 | S36-L40 WeakPolarHBondContact O-CB 3.27Å; S36-L40 WeakPolarHBondContact O-CG 3.22Å; S36-L40 PolarHBondContact O-N 3.3Å; L40-Q44 PolarHBondContact O-N 2.78Å; L40-Q44 VanDerWaalsContact O-N 3.11Å; L40-Q44 PolarHBondContact O-NE2 2.8Å |
| 41 | G | 59.8 | Low | 62 | Low | 6 Ų | 6 | 104.7 Ų | 104.7 | 6% | 0.062 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -66.9 | -41 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L37 G39 Q44 L45 | L37-G41 VanDerWaalsContact O-CA 3.3Å; L37-G41 WeakPolarHBondContact O-CA 3.48Å; L37-G41 PolarHBondContact O-N 3.45Å; G39-G41 PolarHBondContact O-N 3.23Å; G41-Q44 PolarHBondContact O-N 2.8Å; G41-L45 WeakPolarHBondContact O-CB 3.21Å; G41-L45 WeakPolarHBondContact O-CG 3.37Å; G41-L45 PolarHBondContact O-N 3.41Å |
| 42 | A | 58.1 | Low | 61 | Low | 53 Ų | 53 | 104.2 Ų | 104.2 | 44% | 0.438 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A38 G39 L45 Y46 | A38-A42 VanDerWaalsContact O-CB 3.32Å; A38-A42 WeakPolarHBondContact O-CB 3.21Å; A38-A42 PolarHBondContact O-N 3.41Å; G39-A42 WeakPolarHBondContact O-CB 3.32Å; G39-A42 PolarHBondContact O-N 3.29Å; G39-A42 VanDerWaalsContact O-N 3.09Å; A42-L45 PolarHBondContact O-N 2.78Å; A42-Y46 PolarHBondContact O-N 3.34Å; A42-Y46 VanDerWaalsContact O-N 3.17Å |
| 43 | Y | 51.8 | Low | 59.6 | Low | 181 Ų | 181 | 109.2 Ų | 109.2 | 71% | 0.71 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.8 | -38.3 | 173.5 | -83.5 | -77.2 | 0 | 0 | 0 | 112.4 | G39 | G39-Y43 WeakPolarHBondContact O-CD2 3.31Å; G39-Y43 PolarHBondContact O-N 3.17Å |
| 44 | Q | 52.7 | Low | 58.5 | Low | 104 Ų | 104 | 105.6 Ų | 105.6 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.8 | -26 | 172.9 | -75.8 | 176.5 | 87.7 | 0 | 0 | 113.2 | L40 G41 Y46 | L40-Q44 PolarHBondContact O-N 2.78Å; L40-Q44 VanDerWaalsContact O-N 3.11Å; L40-Q44 PolarHBondContact O-NE2 2.8Å; G41-Q44 PolarHBondContact O-N 2.8Å; Q44-Y46 VanDerWaalsContact C-N 3.32Å |
| 45 | L | 46.1 | Very low | 57.9 | Low | 102 Ų | 102 | 101.9 Ų | 101.9 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.7 | -25.7 | 174.2 | -80.3 | 166.4 | 0 | 0 | 0 | 113.1 | G41 A42 V52 | G41-L45 WeakPolarHBondContact O-CB 3.21Å; G41-L45 WeakPolarHBondContact O-CG 3.37Å; G41-L45 PolarHBondContact O-N 3.41Å; A42-L45 PolarHBondContact O-N 2.78Å; L45-V52 HydrophobicContact CD2-CG1 3.8Å; L45-V52 HydrophobicContact CD2-CG2 4.08Å |
| 46 | Y | 43.5 | Very low | 57 | Low | 210 Ų | 210 | 105.4 Ų | 105.4 | 82% | 0.824 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -83.7 | -24.1 | -175.9 | -169.8 | -101.8 | 0 | 0 | 0 | 113.8 | A42 Q44 | A42-Y46 PolarHBondContact O-N 3.34Å; A42-Y46 VanDerWaalsContact O-N 3.17Å; Q44-Y46 VanDerWaalsContact C-N 3.32Å |
| 47 | Q | 50.6 | Low | 56 | Low | 153 Ų | 153 | 104.2 Ų | 104.2 | 72% | 0.715 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -102.1 | -29.7 | -167.3 | -120.9 | 162.2 | 5.9 | 0 | 0 | 115.5 | ||
| 48 | D | 46.3 | Very low | 55.4 | Low | 99 Ų | 99 | 101.4 Ų | 101.4 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | trans | -146.2 | 90.7 | -174.1 | -74.9 | -69.3 | 0 | 0 | 0 | 113.2 | R50 N51 V52 | D48-R50 PolarHBondContact O-N 2.85Å; D48-N51 HydrophobicContact CB-CB 4.21Å; D48-N51 PolarHBondContact O-N 3.43Å; D48-V52 WeakPolarHBondContact O-CG2 3.14Å; D48-V52 PolarHBondContact O-N 2.81Å | ||
| 49 | P | 51 | Low | 54.9 | Low | 113 Ų | 113 | 102.3 Ų | 102.3 | 73% | 0.734 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -8 | 175.5 | 21.4 | -32.8 | 0 | 0 | 0 | 114.6 | ||
| 50 | R | 50.6 | Low | 54.2 | Low | 233 Ų | 233 | 103.9 Ų | 103.9 | 88% | 0.879 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -23.5 | 176.1 | -157.2 | 171.3 | 178.8 | -156.8 | -0.9 | 113.9 | D48 | D48-R50 PolarHBondContact O-N 2.85Š|
| 51 | N | 50 | Low | 54 | Low | 103 Ų | 103 | 103.2 Ų | 103.2 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -11.9 | 176.3 | -149 | 74.9 | 0 | 0 | 0 | 112.6 | D48 W53 G54 F55 | D48-N51 HydrophobicContact CB-CB 4.21Å; D48-N51 PolarHBondContact O-N 3.43Å; N51-W53 VanDerWaalsContact C-N 3.3Å; N51-W53 PolarHBondContact O-N 2.77Å; N51-G54 PolarHBondContact O-N 3.48Å; N51-G54 VanDerWaalsContact O-N 3.08Å; N51-F55 PolarHBondContact O-N 3.43Å |
| 52 | V | 50.9 | Low | 54.1 | Low | 33 Ų | 33 | 107.3 Ų | 107.3 | 20% | 0.2 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -60.1 | -36.9 | 174.6 | -177 | 0 | 0 | 0 | 0 | 111.8 | L45 D48 G54 F55 L56 | L45-V52 HydrophobicContact CD2-CG1 3.8Å; L45-V52 HydrophobicContact CD2-CG2 4.08Å; D48-V52 WeakPolarHBondContact O-CG2 3.14Å; D48-V52 PolarHBondContact O-N 2.81Å; V52-G54 VanDerWaalsContact C-N 3.26Å; V52-G54 PolarHBondContact O-N 2.81Å; V52-F55 PolarHBondContact O-N 3.49Å; V52-L56 HydrophobicContact CG1-CB 4.45Å; V52-L56 WeakPolarHBondContact O-CA 3.38Å; V52-L56 WeakPolarHBondContact O-CB 3.13Å; V52-L56 PolarHBondContact O-N 2.75Å |
| 53 | W | 54 | Low | 54.2 | Low | 215 Ų | 215 | 111.1 Ų | 111.1 | 81% | 0.814 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.4 | -40.3 | 173.4 | -95.3 | 84.5 | 0 | 0 | 0 | 111.9 | N51 A57 | N51-W53 VanDerWaalsContact C-N 3.3Å; N51-W53 PolarHBondContact O-N 2.77Å; W53-A57 WeakPolarHBondContact O-CA 3.46Å; W53-A57 WeakPolarHBondContact O-CB 3.2Å; W53-A57 PolarHBondContact O-N 2.87Å |
| 54 | G | 57.6 | Low | 54.5 | Low | 44 Ų | 44 | 107 Ų | 107 | 45% | 0.454 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.8 | -45.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N51 V52 A58 | N51-G54 PolarHBondContact O-N 3.48Å; N51-G54 VanDerWaalsContact O-N 3.08Å; V52-G54 VanDerWaalsContact C-N 3.26Å; V52-G54 PolarHBondContact O-N 2.81Å; G54-A58 WeakPolarHBondContact O-CB 3.27Å; G54-A58 PolarHBondContact O-N 3.09Å |
| 55 | F | 54.8 | Low | 54.7 | Low | 79 Ų | 79 | 103.7 Ų | 103.7 | 35% | 0.346 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -78.6 | -36.1 | -178.3 | -157.7 | -93.3 | 0 | 0 | 0 | 113 | N51 V52 A58 T59 | N51-F55 PolarHBondContact O-N 3.43Å; V52-F55 PolarHBondContact O-N 3.49Å; F55-A58 PolarHBondContact O-N 3.34Å; F55-T59 VanDerWaalsContact O-CB 3.29Å; F55-T59 WeakPolarHBondContact O-CB 3.1Å; F55-T59 PolarHBondContact O-N 2.86Å; F55-T59 PolarHBondContact O-OG1 2.86Å |
| 56 | L | 59.3 | Low | 55.4 | Low | 115 Ų | 115 | 104.2 Ų | 104.2 | 60% | 0.602 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.3 | -40.5 | 174.3 | -150.5 | 80.5 | 0 | 0 | 0 | 110.3 | V52 S60 | V52-L56 HydrophobicContact CG1-CB 4.45Å; V52-L56 WeakPolarHBondContact O-CA 3.38Å; V52-L56 WeakPolarHBondContact O-CB 3.13Å; V52-L56 PolarHBondContact O-N 2.75Å; L56-S60 WeakPolarHBondContact O-CA 3.03Å; L56-S60 WeakPolarHBondContact O-CB 3.5Å; L56-S60 PolarHBondContact O-N 2.87Å |
| 57 | A | 57.7 | Low | 55.8 | Low | 41 Ų | 41 | 99 Ų | 99 | 34% | 0.339 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W53 S60 V61 | W53-A57 WeakPolarHBondContact O-CA 3.46Å; W53-A57 WeakPolarHBondContact O-CB 3.2Å; W53-A57 PolarHBondContact O-N 2.87Å; A57-S60 PolarHBondContact O-N 3.34Å; A57-V61 WeakPolarHBondContact O-CA 3.2Å; A57-V61 WeakPolarHBondContact O-CB 3.38Å; A57-V61 WeakPolarHBondContact O-CG2 3.3Å; A57-V61 PolarHBondContact O-N 2.73Å |
| 58 | A | 58.7 | Low | 55.7 | Low | 51 Ų | 51 | 93.3 Ų | 93.3 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | G54 F55 V61 T62 | G54-A58 WeakPolarHBondContact O-CB 3.27Å; G54-A58 PolarHBondContact O-N 3.09Å; F55-A58 PolarHBondContact O-N 3.34Å; A58-V61 PolarHBondContact O-N 3.11Å; A58-T62 WeakPolarHBondContact O-CB 3.11Å; A58-T62 PolarHBondContact O-N 3Å; A58-T62 PolarHBondContact O-OG1 3.45Å |
| 59 | T | 59.2 | Low | 55.8 | Low | 73 Ų | 73 | 97.2 Ų | 97.2 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 178.1 | -51.6 | 0 | 0 | 0 | 0 | 111 | F55 T62 F63 | F55-T59 VanDerWaalsContact O-CB 3.29Å; F55-T59 WeakPolarHBondContact O-CB 3.1Å; F55-T59 PolarHBondContact O-N 2.86Å; F55-T59 PolarHBondContact O-OG1 2.86Å; T59-T62 PolarHBondContact O-N 3.46Å; T59-F63 VanDerWaalsContact O-CB 3.26Å; T59-F63 WeakPolarHBondContact O-CB 3.47Å; T59-F63 PolarHBondContact O-N 2.77Å |
| 60 | S | 59.5 | Low | 55.7 | Low | 61 Ų | 61 | 102.6 Ų | 102.6 | 43% | 0.427 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 177.3 | -169.3 | 0 | 0 | 0 | 0 | 112 | L56 A57 F63 V64 | L56-S60 WeakPolarHBondContact O-CA 3.03Å; L56-S60 WeakPolarHBondContact O-CB 3.5Å; L56-S60 PolarHBondContact O-N 2.87Å; A57-S60 PolarHBondContact O-N 3.34Å; S60-F63 PolarHBondContact O-N 3.41Å; S60-V64 WeakPolarHBondContact O-CA 3.45Å; S60-V64 WeakPolarHBondContact O-CB 3.47Å; S60-V64 WeakPolarHBondContact O-CG2 3.06Å; S60-V64 PolarHBondContact O-N 3.34Å |
| 61 | V | 61.2 | Low | 55.4 | Low | 98 Ų | 98 | 96 Ų | 96 | 59% | 0.594 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70 | -36 | 176.1 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | A57 A58 G65 | A57-V61 WeakPolarHBondContact O-CA 3.2Å; A57-V61 WeakPolarHBondContact O-CB 3.38Å; A57-V61 WeakPolarHBondContact O-CG2 3.3Å; A57-V61 PolarHBondContact O-N 2.73Å; A58-V61 PolarHBondContact O-N 3.11Å; V61-G65 VanDerWaalsContact O-CA 3.29Å; V61-G65 WeakPolarHBondContact O-CA 3.18Å; V61-G65 PolarHBondContact O-N 3.5Å |
| 62 | T | 62.3 | Low | 55.3 | Low | 92 Ų | 92 | 101.5 Ų | 101.5 | 56% | 0.564 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.1 | -41 | 172.1 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | A58 T59 G65 V66 | A58-T62 WeakPolarHBondContact O-CB 3.11Å; A58-T62 PolarHBondContact O-N 3Å; A58-T62 PolarHBondContact O-OG1 3.45Å; T59-T62 PolarHBondContact O-N 3.46Å; T62-G65 PolarHBondContact O-N 2.92Å; T62-V66 HydrophobicContact CG2-CG2 4.34Å; T62-V66 VanDerWaalsContact O-CB 3.28Å; T62-V66 WeakPolarHBondContact O-CB 3.44Å; T62-V66 WeakPolarHBondContact O-CG2 3.34Å; T62-V66 PolarHBondContact O-N 2.93Å |
| 63 | F | 60.8 | Low | 55.1 | Low | 134 Ų | 134 | 110.2 Ų | 110.2 | 59% | 0.588 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.3 | -44.3 | 177.8 | -144.6 | -102.8 | 0 | 0 | 0 | 111.9 | T59 S60 G65 V66 M67 | T59-F63 VanDerWaalsContact O-CB 3.26Å; T59-F63 WeakPolarHBondContact O-CB 3.47Å; T59-F63 PolarHBondContact O-N 2.77Å; S60-F63 PolarHBondContact O-N 3.41Å; F63-G65 VanDerWaalsContact C-N 3.3Å; F63-V66 PolarHBondContact O-N 2.82Å; F63-M67 HydrophobicContact CD1-SD 3.95Å; F63-M67 HydrophobicContact CE1-CE 4.4Å; F63-M67 HydrophobicContact CE1-SD 3.62Å; F63-M67 HydrophobicContact CZ-SD 4.41Å; F63-M67 WeakPolarHBondContact O-CB 3.35Å; F63-M67 PolarHBondContact O-N 3.39Å |
| 64 | V | 57.6 | Low | 54.6 | Low | 93 Ų | 93 | 109.4 Ų | 109.4 | 56% | 0.564 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.6 | -30.7 | 171.4 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | S60 G68 | S60-V64 WeakPolarHBondContact O-CA 3.45Å; S60-V64 WeakPolarHBondContact O-CB 3.47Å; S60-V64 WeakPolarHBondContact O-CG2 3.06Å; S60-V64 PolarHBondContact O-N 3.34Å; V64-G68 WeakPolarHBondContact O-CA 3.38Å; V64-G68 PolarHBondContact O-N 3.47Å |
| 65 | G | 57.7 | Low | 54.3 | Low | 36 Ų | 36 | 111.6 Ų | 111.6 | 37% | 0.371 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.3 | -47.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V61 T62 F63 M69 | V61-G65 VanDerWaalsContact O-CA 3.29Å; V61-G65 WeakPolarHBondContact O-CA 3.18Å; V61-G65 PolarHBondContact O-N 3.5Å; T62-G65 PolarHBondContact O-N 2.92Å; F63-G65 VanDerWaalsContact C-N 3.3Å; G65-M69 WeakPolarHBondContact O-CG 2.95Å; G65-M69 PolarHBondContact O-N 2.81Å |
| 66 | V | 60.2 | Low | 54 | Low | 112 Ų | 112 | 115.5 Ų | 115.5 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.3 | -37.1 | 178.6 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | T62 F63 | T62-V66 HydrophobicContact CG2-CG2 4.34Å; T62-V66 VanDerWaalsContact O-CB 3.28Å; T62-V66 WeakPolarHBondContact O-CB 3.44Å; T62-V66 WeakPolarHBondContact O-CG2 3.34Å; T62-V66 PolarHBondContact O-N 2.93Å; F63-V66 PolarHBondContact O-N 2.82Å |
| 67 | M | 52.5 | Low | 53.4 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 50% | 0.498 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -93.8 | -23.6 | 177.2 | -83.6 | 176.3 | 149.7 | 0 | 0 | 114.8 | F63 R70 | F63-M67 HydrophobicContact CD1-SD 3.95Å; F63-M67 HydrophobicContact CE1-CE 4.4Å; F63-M67 HydrophobicContact CE1-SD 3.62Å; F63-M67 HydrophobicContact CZ-SD 4.41Å; F63-M67 WeakPolarHBondContact O-CB 3.35Å; F63-M67 PolarHBondContact O-N 3.39Å; M67-R70 CarbonylContact O-C 3.52Å; M67-R70 PolarHBondContact O-N 2.85Å |
| 68 | G | 47.3 | Very low | 53.1 | Low | 33 Ų | 33 | 125.5 Ų | 125.5 | 34% | 0.34 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -85.7 | -27.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V64 R70 S71 | V64-G68 WeakPolarHBondContact O-CA 3.38Å; V64-G68 PolarHBondContact O-N 3.47Å; G68-R70 PolarHBondContact O-N 2.69Å; G68-S71 PolarHBondContact O-N 2.7Å; G68-S71 VanDerWaalsContact O-N 3.07Å |
| 69 | M | 48.6 | Very low | 52.6 | Low | 181 Ų | 181 | 127.2 Ų | 127.2 | 89% | 0.892 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -11.4 | 166.9 | -76.1 | -119 | -72.3 | 0 | 0 | 112.7 | G65 | G65-M69 WeakPolarHBondContact O-CG 2.95Å; G65-M69 PolarHBondContact O-N 2.81Å |
| 70 | R | 48.2 | Very low | 52.2 | Low | 227 Ų | 227 | 128 Ų | 128 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | 32 | 174 | -154.6 | -161.9 | -178.2 | 175.4 | 1.6 | 113.2 | M67 G68 | M67-R70 CarbonylContact O-C 3.52Å; M67-R70 PolarHBondContact O-N 2.85Å; G68-R70 PolarHBondContact O-N 2.69Å |
| 71 | S | 45.7 | Very low | 51.9 | Low | 94 Ų | 94 | 127.9 Ų | 127.9 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -132.8 | 14.1 | 170.9 | -164.9 | 0 | 0 | 0 | 0 | 113.8 | G68 | G68-S71 PolarHBondContact O-N 2.7Å; G68-S71 VanDerWaalsContact O-N 3.07Å |
| 72 | Y | 47.3 | Very low | 51.7 | Low | 219 Ų | 219 | 129.5 Ų | 129.5 | 86% | 0.859 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -101.7 | -18.3 | 176 | -147.4 | -96.2 | 0 | 0 | 0 | 113.4 | ||
| 73 | Y | 46.4 | Very low | 51.5 | Low | 215 Ų | 215 | 130.6 Ų | 130.6 | 84% | 0.843 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -103.3 | -2.6 | -170.2 | -115.9 | -84.1 | 0 | 0 | 0 | 116.4 | ||
| 74 | Y | 43.9 | Very low | 51.3 | Low | 199 Ų | 199 | 126.8 Ų | 126.8 | 78% | 0.78 | 67% | 0.671 | S | S | * | * | trans | -126.7 | 101 | 173.2 | -90.8 | -96.2 | 0 | 0 | 0 | 108.5 | K76 | Y74-K76 PolarHBondContact O-N 3.31Š| ||
| 75 | G | 51.2 | Low | 51.7 | Low | 90 Ų | 90 | 124.2 Ų | 124.2 | 93% | 0.928 | 66% | 0.663 | S | S | * | * | trans | -64.4 | 55.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 76 | K | 49.8 | Very low | 52.1 | Low | 161 Ų | 161 | 125.2 Ų | 125.2 | 70% | 0.7 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -140.1 | 97.7 | 175 | -149 | 98.5 | 79.9 | 176.4 | 0 | 106.7 | Y74 M78 | Y74-K76 PolarHBondContact O-N 3.31Å; K76-M78 PolarHBondContact O-N 2.88Å |
| 77 | F | 46.3 | Very low | 51.8 | Low | 205 Ų | 205 | 123.6 Ų | 123.6 | 90% | 0.899 | 66% | 0.661 | S | S | * | * | trans | -44.7 | 105.2 | 170.6 | -88.2 | -103.1 | 0 | 0 | 0 | 110.3 | ||||
| 78 | M | 49.8 | Very low | 52.4 | Low | 160 Ų | 160 | 124.6 Ų | 124.6 | 79% | 0.788 | 67% | 0.668 | S | S | * | * | trans | -102.5 | 136.5 | 161.2 | -87.4 | 176.9 | 144.6 | 0 | 0 | 107.9 | K76 V80 | K76-M78 PolarHBondContact O-N 2.88Å; M78-V80 PolarHBondContact O-N 2.68Å | ||
| 79 | P | 49.9 | Very low | 53.3 | Low | 88 Ų | 88 | 129.1 Ų | 129.1 | 57% | 0.571 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 21.5 | -157.2 | 33.2 | -38.5 | 0 | 0 | 0 | 114.7 | I83 | P79-I83 WeakPolarHBondContact O-CB 3.29Å; P79-I83 VanDerWaalsContact O-CD1 3.31Å; P79-I83 WeakPolarHBondContact O-CD1 3.47Å; P79-I83 VanDerWaalsContact O-CG1 3.27Å; P79-I83 WeakPolarHBondContact O-CG1 3.32Å; P79-I83 PolarHBondContact O-N 2.78Å |
| 80 | V | 51.2 | Low | 54 | Low | 90 Ų | 90 | 126.1 Ų | 126.1 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -76.3 | -33 | 177.6 | 148.9 | 0 | 0 | 0 | 0 | 111.9 | M78 A84 | M78-V80 PolarHBondContact O-N 2.68Å; V80-A84 WeakPolarHBondContact O-CB 3.33Å; V80-A84 PolarHBondContact O-N 3.34Å |
| 81 | G | 52 | Low | 54.5 | Low | 57 Ų | 57 | 118.3 Ų | 118.3 | 59% | 0.588 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.7 | -36.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G85 | G81-G85 PolarHBondContact O-N 2.81Å |
| 82 | L | 57.4 | Low | 55.5 | Low | 133 Ų | 133 | 116.5 Ų | 116.5 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.5 | -38.6 | 175.4 | -99.5 | 151.1 | 0 | 0 | 0 | 112 | G85 A86 | L82-G85 PolarHBondContact O-N 2.76Å; L82-A86 WeakPolarHBondContact O-CB 3.11Å; L82-A86 PolarHBondContact O-N 3.46Å |
| 83 | I | 57.3 | Low | 56 | Low | 115 Ų | 115 | 112.4 Ų | 112.4 | 59% | 0.59 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70 | -40.1 | 174.5 | -70.1 | 166.6 | 0 | 0 | 0 | 110.7 | P79 A86 S87 | P79-I83 WeakPolarHBondContact O-CB 3.29Å; P79-I83 VanDerWaalsContact O-CD1 3.31Å; P79-I83 WeakPolarHBondContact O-CD1 3.47Å; P79-I83 VanDerWaalsContact O-CG1 3.27Å; P79-I83 WeakPolarHBondContact O-CG1 3.32Å; P79-I83 PolarHBondContact O-N 2.78Å; I83-A86 PolarHBondContact O-N 2.77Å; I83-S87 WeakPolarHBondContact O-CB 2.96Å; I83-S87 PolarHBondContact O-N 2.84Å |
| 84 | A | 56.9 | Low | 56.9 | Low | 54 Ų | 54 | 106 Ų | 106 | 45% | 0.446 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.5 | -41.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V80 S87 L88 | V80-A84 WeakPolarHBondContact O-CB 3.33Å; V80-A84 PolarHBondContact O-N 3.34Å; A84-S87 PolarHBondContact O-N 3.41Å; A84-L88 WeakPolarHBondContact O-CB 3.26Å; A84-L88 PolarHBondContact O-N 3.41Å |
| 85 | G | 65.3 | Low | 57.8 | Low | 38 Ų | 38 | 98.3 Ų | 98.3 | 39% | 0.392 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.7 | -45.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G81 L82 L88 L89 | G81-G85 PolarHBondContact O-N 2.81Å; L82-G85 PolarHBondContact O-N 2.76Å; G85-L88 PolarHBondContact O-N 2.84Å; G85-L89 WeakPolarHBondContact O-CB 3.44Å; G85-L89 PolarHBondContact O-N 2.84Å |
| 86 | A | 66.4 | Low | 58.1 | Low | 57 Ų | 57 | 97.5 Ų | 97.5 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.6 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L82 I83 L89 M90 | L82-A86 WeakPolarHBondContact O-CB 3.11Å; L82-A86 PolarHBondContact O-N 3.46Å; I83-A86 PolarHBondContact O-N 2.77Å; A86-L89 WeakPolarHBondContact O-CB 3.11Å; A86-L89 PolarHBondContact O-N 2.72Å; A86-M90 PolarHBondContact O-N 3.34Å |
| 87 | S | 54.4 | Low | 58.3 | Low | 78 Ų | 78 | 98.5 Ų | 98.5 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.7 | -35.7 | 176.1 | -160.7 | 0 | 0 | 0 | 0 | 111.8 | I83 A84 L89 M90 A91 | I83-S87 WeakPolarHBondContact O-CB 2.96Å; I83-S87 PolarHBondContact O-N 2.84Å; A84-S87 PolarHBondContact O-N 3.41Å; S87-L89 VanDerWaalsContact C-N 3.34Å; S87-M90 PolarHBondContact O-N 2.69Å; S87-A91 WeakPolarHBondContact O-CB 3.48Å; S87-A91 PolarHBondContact O-N 3.46Å |
| 88 | L | 65.6 | Low | 58.4 | Low | 122 Ų | 122 | 94.6 Ų | 94.6 | 64% | 0.639 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.8 | -39.2 | 171.9 | -170.6 | 75.1 | 0 | 0 | 0 | 110.7 | A84 G85 A91 A92 | A84-L88 WeakPolarHBondContact O-CB 3.26Å; A84-L88 PolarHBondContact O-N 3.41Å; G85-L88 PolarHBondContact O-N 2.84Å; L88-A91 PolarHBondContact O-N 2.79Å; L88-A92 VanDerWaalsContact O-CB 3.27Å; L88-A92 WeakPolarHBondContact O-CB 3.07Å; L88-A92 PolarHBondContact O-N 3.44Å |
| 89 | L | 66.6 | Low | 58.8 | Low | 129 Ų | 129 | 93.6 Ų | 93.6 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.7 | -42.5 | 173.5 | -168.7 | 86.2 | 0 | 0 | 0 | 111.2 | G85 A86 S87 K93 | G85-L89 WeakPolarHBondContact O-CB 3.44Å; G85-L89 PolarHBondContact O-N 2.84Å; A86-L89 WeakPolarHBondContact O-CB 3.11Å; A86-L89 PolarHBondContact O-N 2.72Å; S87-L89 VanDerWaalsContact C-N 3.34Å; L89-K93 WeakPolarHBondContact O-CB 3.03Å; L89-K93 PolarHBondContact O-N 2.85Å |
| 90 | M | 62.1 | Low | 59 | Low | 118 Ų | 118 | 96 Ų | 96 | 58% | 0.581 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.8 | -40.5 | 174.6 | -88.2 | -67.6 | -162.2 | 0 | 0 | 112.2 | A86 S87 K93 V94 | A86-M90 PolarHBondContact O-N 3.34Å; S87-M90 PolarHBondContact O-N 2.69Å; M90-K93 PolarHBondContact O-N 2.81Å; M90-V94 WeakPolarHBondContact O-CB 2.9Å; M90-V94 WeakPolarHBondContact O-CG2 2.64Å; M90-V94 PolarHBondContact O-N 3.27Å |
| 91 | A | 59.8 | Low | 58.8 | Low | 62 Ų | 62 | 96.5 Ų | 96.5 | 51% | 0.512 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.5 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S87 L88 V94 G95 | S87-A91 WeakPolarHBondContact O-CB 3.48Å; S87-A91 PolarHBondContact O-N 3.46Å; L88-A91 PolarHBondContact O-N 2.79Å; A91-V94 PolarHBondContact O-N 3.08Å; A91-G95 PolarHBondContact O-N 3.45Å |
| 92 | A | 66.8 | Low | 58.2 | Low | 57 Ų | 57 | 98.7 Ų | 98.7 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L88 V94 G95 V96 | L88-A92 VanDerWaalsContact O-CB 3.27Å; L88-A92 WeakPolarHBondContact O-CB 3.07Å; L88-A92 PolarHBondContact O-N 3.44Å; A92-V94 PolarHBondContact O-N 2.72Å; A92-G95 PolarHBondContact O-N 3.41Å; A92-V96 WeakPolarHBondContact O-CB 3.41Å; A92-V96 VanDerWaalsContact O-CG2 3.27Å; A92-V96 WeakPolarHBondContact O-CG2 3.11Å; A92-V96 PolarHBondContact O-N 2.83Å |
| 93 | K | 57 | Low | 57.4 | Low | 133 Ų | 133 | 102.6 Ų | 102.6 | 58% | 0.578 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.2 | -38.4 | 177.1 | -179 | 170.6 | 161 | 160.8 | 0 | 112.3 | L89 M90 R97 | L89-K93 WeakPolarHBondContact O-CB 3.03Å; L89-K93 PolarHBondContact O-N 2.85Å; M90-K93 PolarHBondContact O-N 2.81Å; K93-R97 WeakPolarHBondContact O-CB 3.42Å; K93-R97 WeakPolarHBondContact O-CG 3.28Å; K93-R97 PolarHBondContact O-N 3.02Å |
| 94 | V | 65.8 | Low | 57.4 | Low | 79 Ų | 79 | 102 Ų | 102 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68 | -44.9 | 172.4 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | M90 A91 A92 V96 R97 M98 | M90-V94 WeakPolarHBondContact O-CB 2.9Å; M90-V94 WeakPolarHBondContact O-CG2 2.64Å; M90-V94 PolarHBondContact O-N 3.27Å; A91-V94 PolarHBondContact O-N 3.08Å; A92-V94 PolarHBondContact O-N 2.72Å; V94-V96 VanDerWaalsContact C-N 3.31Å; V94-V96 PolarHBondContact O-N 2.65Å; V94-R97 PolarHBondContact O-N 2.72Å; V94-R97 VanDerWaalsContact O-N 3.16Å; V94-M98 HydrophobicContact CG1-CE 4.44Å; V94-M98 HydrophobicContact CG1-CG 4.26Å; V94-M98 WeakPolarHBondContact O-CB 3.17Å; V94-M98 VanDerWaalsContact O-CG 3.26Å; V94-M98 WeakPolarHBondContact O-CG 3.33Å; V94-M98 PolarHBondContact O-N 2.66Å |
| 95 | G | 61.4 | Low | 57.4 | Low | 39 Ų | 39 | 104.5 Ų | 104.5 | 40% | 0.402 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -57.9 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A91 A92 M98 L99 | A91-G95 PolarHBondContact O-N 3.45Å; A92-G95 PolarHBondContact O-N 3.41Å; G95-M98 PolarHBondContact O-N 3.31Å; G95-L99 WeakPolarHBondContact O-CB 3Å; G95-L99 PolarHBondContact O-N 3.33Å |
| 96 | V | 57.9 | Low | 57 | Low | 72 Ų | 72 | 108.2 Ų | 108.2 | 44% | 0.436 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.6 | -38.9 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | A92 V94 M98 L99 M100 | A92-V96 WeakPolarHBondContact O-CB 3.41Å; A92-V96 VanDerWaalsContact O-CG2 3.27Å; A92-V96 WeakPolarHBondContact O-CG2 3.11Å; A92-V96 PolarHBondContact O-N 2.83Å; V94-V96 VanDerWaalsContact C-N 3.31Å; V94-V96 PolarHBondContact O-N 2.65Å; V96-M98 VanDerWaalsContact C-N 3.34Å; V96-M98 PolarHBondContact O-N 2.82Å; V96-L99 PolarHBondContact O-N 2.69Å; V96-M100 HydrophobicContact CG1-CE 3.64Å; V96-M100 HydrophobicContact CG1-CG 4.17Å; V96-M100 HydrophobicContact CG1-SD 3.64Å; V96-M100 WeakPolarHBondContact O-CB 3.39Å; V96-M100 VanDerWaalsContact O-CG 3.23Å; V96-M100 WeakPolarHBondContact O-CG 2.99Å; V96-M100 PolarHBondContact O-N 2.91Å |
| 97 | R | 54.8 | Low | 56.4 | Low | 183 Ų | 183 | 111.2 Ų | 111.2 | 69% | 0.691 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.7 | -36.8 | 175.4 | -77.9 | -79.8 | -100 | -174.2 | -4.6 | 112.6 | K93 V94 T101 | K93-R97 WeakPolarHBondContact O-CB 3.42Å; K93-R97 WeakPolarHBondContact O-CG 3.28Å; K93-R97 PolarHBondContact O-N 3.02Å; V94-R97 PolarHBondContact O-N 2.72Å; V94-R97 VanDerWaalsContact O-N 3.16Å; R97-T101 VanDerWaalsContact O-CB 3.31Å; R97-T101 WeakPolarHBondContact O-CB 2.85Å; R97-T101 VanDerWaalsContact O-CG2 3.24Å; R97-T101 WeakPolarHBondContact O-CG2 3.29Å; R97-T101 PolarHBondContact O-N 3.41Å |
| 98 | M | 49.2 | Very low | 56.5 | Low | 123 Ų | 123 | 113.3 Ų | 113.3 | 61% | 0.606 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.5 | -34.7 | 175 | -67.7 | -69.8 | 177.3 | 0 | 0 | 111.7 | V94 G95 V96 T101 S102 | V94-M98 HydrophobicContact CG1-CE 4.44Å; V94-M98 HydrophobicContact CG1-CG 4.26Å; V94-M98 WeakPolarHBondContact O-CB 3.17Å; V94-M98 VanDerWaalsContact O-CG 3.26Å; V94-M98 WeakPolarHBondContact O-CG 3.33Å; V94-M98 PolarHBondContact O-N 2.66Å; G95-M98 PolarHBondContact O-N 3.31Å; V96-M98 VanDerWaalsContact C-N 3.34Å; V96-M98 PolarHBondContact O-N 2.82Å; M98-T101 WeakPolarHBondContact O-CG2 3.29Å; M98-S102 PolarHBondContact O-OG 3.07Å; M98-S102 VanDerWaalsContact O-OG 3.1Å |
| 99 | L | 57 | Low | 55.9 | Low | 139 Ų | 139 | 112.7 Ų | 112.7 | 73% | 0.728 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74 | -34 | 176.7 | -149.9 | 150.5 | 0 | 0 | 0 | 112 | G95 V96 | G95-L99 WeakPolarHBondContact O-CB 3Å; G95-L99 PolarHBondContact O-N 3.33Å; V96-L99 PolarHBondContact O-N 2.69Å |
| 100 | M | 53.7 | Low | 55.2 | Low | 139 Ų | 139 | 111.6 Ų | 111.6 | 69% | 0.685 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -82 | -18.2 | 176.7 | -70.1 | 178.7 | 168 | 0 | 0 | 114 | V96 S102 | V96-M100 HydrophobicContact CG1-CE 3.64Å; V96-M100 HydrophobicContact CG1-CG 4.17Å; V96-M100 HydrophobicContact CG1-SD 3.64Å; V96-M100 WeakPolarHBondContact O-CB 3.39Å; V96-M100 VanDerWaalsContact O-CG 3.23Å; V96-M100 WeakPolarHBondContact O-CG 2.99Å; V96-M100 PolarHBondContact O-N 2.91Å; M100-S102 VanDerWaalsContact C-N 3.3Å |
| 101 | T | 47.7 | Very low | 54.6 | Low | 99 Ų | 99 | 111.1 Ų | 111.1 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 19.7 | 174.8 | -162.6 | 0 | 0 | 0 | 0 | 112.7 | R97 M98 | R97-T101 VanDerWaalsContact O-CB 3.31Å; R97-T101 WeakPolarHBondContact O-CB 2.85Å; R97-T101 VanDerWaalsContact O-CG2 3.24Å; R97-T101 WeakPolarHBondContact O-CG2 3.29Å; R97-T101 PolarHBondContact O-N 3.41Å; M98-T101 WeakPolarHBondContact O-CG2 3.29Å |
| 102 | S | 40 | Very low | 54.2 | Low | 103 Ų | 103 | 115.2 Ų | 115.2 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | trans | -110.8 | 21.2 | 172.8 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | M98 M100 | M98-S102 PolarHBondContact O-OG 3.07Å; M98-S102 VanDerWaalsContact O-OG 3.1Å; M100-S102 VanDerWaalsContact C-N 3.3Å | ||
| 103 | D | 39.3 | Very low | 53.1 | Low | 216 Ų | 216 | 120.5 Ų | 120.5 | 100% | 1.155 | 64% | 0.644 | S | S | * | * | trans | -106.8 | 0 | 160.2 | -164.6 | -108.7 | 0 | 0 | 0 | 107.9 |
Retrieved 103 of 103 residues in 63.8 ms
(Link to these results)