| 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 | 37.9 | Very low | 52.6 | Low | 246 Ų | 246 | 126.2 Ų | 126.2 | 100% | 1.212 | 69% | 0.691 | S | S | * | * | 0 | 99.2 | 0 | -84 | 164.5 | 171.2 | 0 | 0 | 107.5 | |||||
| 2 | G | 36.6 | Very low | 53.9 | Low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -82.1 | 115.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | I4 | G2-I4 PolarHBondContact O-N 3.42Š| ||
| 3 | K | 48.3 | Very low | 55.3 | Low | 194 Ų | 194 | 128.4 Ų | 128.4 | 84% | 0.843 | 70% | 0.699 | S | S | * | * | trans | -75.2 | 120.3 | 169.7 | -71.1 | -176 | 177 | -176.2 | 0 | 107.5 | C5 | K3-C5 PolarHBondContact O-N 3.32Š| ||
| 4 | I | 38.5 | Very low | 56.8 | Low | 151 Ų | 151 | 124.2 Ų | 124.2 | 77% | 0.774 | 70% | 0.701 | S | S | * | * | trans | -78.1 | 103.7 | 169.1 | -61.4 | 164.9 | 0 | 0 | 0 | 105.3 | G2 | G2-I4 PolarHBondContact O-N 3.42Š| ||
| 5 | C | 48.5 | Very low | 57.8 | Low | 104 Ų | 104 | 126.8 Ų | 126.8 | 70% | 0.703 | 70% | 0.701 | S | S | * | * | trans | -88.4 | 102.8 | 171.8 | -59.8 | 0 | 0 | 0 | 0 | 107.5 | K3 E7 | K3-C5 PolarHBondContact O-N 3.32Å; C5-E7 VanDerWaalsContact C-N 3.3Å; C5-E7 PolarHBondContact O-N 3.27Å | ||
| 6 | N | 51.6 | Low | 58.6 | Low | 149 Ų | 149 | 130.8 Ų | 130.8 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | trans | -81.6 | 83.3 | 165.5 | -74.2 | -19 | 0 | 0 | 0 | 107.3 | A8 | N6-A8 PolarHBondContact O-N 3.04Š| ||
| 7 | E | 57.6 | Low | 59 | Low | 111 Ų | 111 | 126.7 Ų | 126.7 | 52% | 0.519 | 68% | 0.68 | S | S | . | * | trans | -67.4 | 111.5 | 168.8 | -88.1 | -178.6 | 136.6 | 0 | 0 | 108.3 | C5 I9 N18 | C5-E7 VanDerWaalsContact C-N 3.3Å; C5-E7 PolarHBondContact O-N 3.27Å; E7-I9 PolarHBondContact O-N 3.47Å; E7-N18 PolarHBondContact OE1-ND2 2.98Å; E7-N18 VanDerWaalsContact OE1-ND2 3.09Å | ||
| 8 | A | 62.1 | Low | 59.8 | Low | 54 Ų | 54 | 122.3 Ų | 122.3 | 45% | 0.446 | 66% | 0.656 | S | S | . | * | trans | -77.1 | 116.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | N6 L19 | N6-A8 PolarHBondContact O-N 3.04Å; A8-L19 HydrophobicContact CB-CD1 3.73Å; A8-L19 WeakPolarHBondContact O-CB 3.37Å; A8-L19 WeakPolarHBondContact O-CD1 3.3Å; A8-L19 WeakPolarHBondContact O-CG 3.34Å; A8-L19 PolarHBondContact O-N 3.03Å | ||
| 9 | I | 62.5 | Low | 60.2 | Low | 99 Ų | 99 | 117.6 Ų | 117.6 | 51% | 0.508 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 129 | 178.7 | -58.9 | 172.1 | 0 | 0 | 0 | 107.8 | E7 R16 | E7-I9 PolarHBondContact O-N 3.47Å; I9-R16 HydrophobicContact CG2-CB 4.03Å; I9-R16 HydrophobicContact CG2-CG 4.33Å |
| 10 | L | 65.2 | Low | 60.7 | Low | 83 Ų | 83 | 116.7 Ų | 116.7 | 44% | 0.435 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 123 | 174.2 | -114.9 | 159.6 | 0 | 0 | 0 | 108.6 | I17 L19 | L10-I17 HydrophobicContact CB-CB 4.46Å; L10-I17 PolarHBondContact N-O 2.92Å; L10-I17 PolarHBondContact O-N 2.86Å; L10-L19 HydrophobicContact CB-CD1 4.34Å; L10-L19 HydrophobicContact CB-CD2 4.14Å; L10-L19 HydrophobicContact CB-CG 4.27Å; L10-L19 HydrophobicContact CD1-CD1 3.89Å; L10-L19 HydrophobicContact CD1-CD2 3.51Å; L10-L19 HydrophobicContact CD1-CG 4.18Å; L10-L19 HydrophobicContact CG-CD1 4.26Å; L10-L19 HydrophobicContact CG-CD2 4.33Å |
| 11 | E | 69.8 | Low | 61.2 | Low | 119 Ų | 119 | 116.7 Ų | 116.7 | 56% | 0.556 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 112.8 | 179 | -157 | 166.9 | -139.9 | 0 | 0 | 109.5 | K15 R16 | E11-K15 WeakPolarHBondContact CA-O 3.19Å; E11-R16 HydrophobicContact CG-CG 3.99Å; E11-R16 VanDerWaalsContact OE1-CG 3.31Å; E11-R16 WeakPolarHBondContact OE1-CG 3.36Å; E11-R16 IonicContact OE1-CZ 3.84Å; E11-R16 IonicContact OE1-NE 2.96Å; E11-R16 PolarHBondContact OE1-NE 2.75Å; E11-R16 IonicContact OE1-NH2 3.79Å |
| 12 | L | 68.5 | Low | 62.7 | Low | 108 Ų | 108 | 110 Ų | 110 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.9 | 179.5 | -79.5 | 165.2 | 0 | 0 | 0 | 108.8 | G14 K15 I17 | L12-G14 PolarHBondContact O-N 3.24Å; L12-G14 VanDerWaalsContact O-N 3.12Å; L12-K15 PolarHBondContact N-O 3.34Å; L12-K15 PolarHBondContact O-N 2.8Å; L12-I17 HydrophobicContact CD1-CD1 4.47Å |
| 13 | D | 72.3 | Confident | 64.2 | Low | 173 Ų | 173 | 111.9 Ų | 111.9 | 93% | 0.925 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.7 | 38 | -179.7 | -69.7 | -24.7 | 0 | 0 | 0 | 114.8 | K15 | D13-K15 PolarHBondContact O-N 3.36Š|
| 14 | G | 76.4 | Confident | 65.1 | Low | 70 Ų | 70 | 104.6 Ų | 104.6 | 72% | 0.722 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 9.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L12 | L12-G14 PolarHBondContact O-N 3.24Å; L12-G14 VanDerWaalsContact O-N 3.12Å |
| 15 | K | 71.2 | Confident | 66.3 | Low | 163 Ų | 163 | 103 Ų | 103 | 71% | 0.709 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.7 | 170.3 | -68.2 | -179.5 | -179 | 175.3 | 0 | 110 | E11 L12 D13 | E11-K15 WeakPolarHBondContact CA-O 3.19Å; L12-K15 PolarHBondContact N-O 3.34Å; L12-K15 PolarHBondContact O-N 2.8Å; D13-K15 PolarHBondContact O-N 3.36Å |
| 16 | R | 70.7 | Confident | 66.6 | Low | 190 Ų | 190 | 104 Ų | 104 | 72% | 0.717 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.3 | 174 | -66.5 | -180 | -179.4 | -179.6 | -1.4 | 109.4 | I9 E11 | I9-R16 HydrophobicContact CG2-CB 4.03Å; I9-R16 HydrophobicContact CG2-CG 4.33Å; E11-R16 HydrophobicContact CG-CG 3.99Å; E11-R16 VanDerWaalsContact OE1-CG 3.31Å; E11-R16 WeakPolarHBondContact OE1-CG 3.36Å; E11-R16 IonicContact OE1-CZ 3.84Å; E11-R16 IonicContact OE1-NE 2.96Å; E11-R16 PolarHBondContact OE1-NE 2.75Å; E11-R16 IonicContact OE1-NH2 3.79Å |
| 17 | I | 65.9 | Low | 66.8 | Low | 62 Ų | 62 | 104.1 Ų | 104.1 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.4 | 177.1 | -56.2 | 174.3 | 0 | 0 | 0 | 107 | L10 L12 L19 F22 | L10-I17 HydrophobicContact CB-CB 4.46Å; L10-I17 PolarHBondContact N-O 2.92Å; L10-I17 PolarHBondContact O-N 2.86Å; L12-I17 HydrophobicContact CD1-CD1 4.47Å; I17-L19 PolarHBondContact O-N 3.25Å; I17-F22 HydrophobicContact CG2-CB 4.38Å; I17-F22 HydrophobicContact CG2-CD2 4.4Å |
| 18 | N | 73.9 | Confident | 66.8 | Low | 47 Ų | 47 | 106.5 Ų | 106.5 | 25% | 0.251 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.3 | 171.7 | -170.9 | -29.3 | 0 | 0 | 0 | 108 | E7 D20 Q21 F22 | E7-N18 PolarHBondContact OE1-ND2 2.98Å; E7-N18 VanDerWaalsContact OE1-ND2 3.09Å; N18-D20 VanDerWaalsContact C-N 3.31Å; N18-D20 PolarHBondContact O-N 2.96Å; N18-D20 PolarHBondContact OD1-N 2.94Å; N18-D20 VanDerWaalsContact OD1-N 3.11Å; N18-Q21 HydrophobicContact CB-CB 4.17Å; N18-Q21 PolarHBondContact O-N 2.96Å; N18-F22 PolarHBondContact O-N 3.46Å |
| 19 | L | 67.4 | Low | 66.2 | Low | 34 Ų | 34 | 112 Ų | 112 | 18% | 0.178 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -68.3 | -32.5 | -174.6 | -68.4 | 167.1 | 0 | 0 | 0 | 112.2 | A8 L10 I17 Q21 F22 F23 | A8-L19 HydrophobicContact CB-CD1 3.73Å; A8-L19 WeakPolarHBondContact O-CB 3.37Å; A8-L19 WeakPolarHBondContact O-CD1 3.3Å; A8-L19 WeakPolarHBondContact O-CG 3.34Å; A8-L19 PolarHBondContact O-N 3.03Å; L10-L19 HydrophobicContact CB-CD1 4.34Å; L10-L19 HydrophobicContact CB-CD2 4.14Å; L10-L19 HydrophobicContact CB-CG 4.27Å; L10-L19 HydrophobicContact CD1-CD1 3.89Å; L10-L19 HydrophobicContact CD1-CD2 3.51Å; L10-L19 HydrophobicContact CD1-CG 4.18Å; L10-L19 HydrophobicContact CG-CD1 4.26Å; L10-L19 HydrophobicContact CG-CD2 4.33Å; I17-L19 PolarHBondContact O-N 3.25Å; L19-Q21 PolarHBondContact O-N 2.7Å; L19-F22 PolarHBondContact O-N 3.27Å; L19-F23 HydrophobicContact CB-CD2 4.32Å; L19-F23 HydrophobicContact CB-CE2 4.07Å; L19-F23 HydrophobicContact CD2-CE2 4.46Å; L19-F23 WeakPolarHBondContact O-CD2 3.38Å; L19-F23 PolarHBondContact O-N 3.06Å |
| 20 | D | 70.1 | Confident | 65.4 | Low | 98 Ų | 98 | 111.9 Ų | 111.9 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.3 | -33.5 | 177.4 | -67 | -20.3 | 0 | 0 | 0 | 111.3 | N18 A24 | N18-D20 VanDerWaalsContact C-N 3.31Å; N18-D20 PolarHBondContact O-N 2.96Å; N18-D20 PolarHBondContact OD1-N 2.94Å; N18-D20 VanDerWaalsContact OD1-N 3.11Å; D20-A24 VanDerWaalsContact O-CB 3.28Å; D20-A24 WeakPolarHBondContact O-CB 3.48Å; D20-A24 PolarHBondContact O-N 3.42Å |
| 21 | Q | 70 | Confident | 64.6 | Low | 117 Ų | 117 | 114.9 Ų | 114.9 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76.2 | -36.2 | 175.2 | -167.1 | 170.7 | -6.6 | 0 | 0 | 111.9 | N18 L19 A24 E25 | N18-Q21 HydrophobicContact CB-CB 4.17Å; N18-Q21 PolarHBondContact O-N 2.96Å; L19-Q21 PolarHBondContact O-N 2.7Å; Q21-A24 PolarHBondContact O-N 3.2Å; Q21-E25 PolarHBondContact O-N 3.5Å; Q21-E25 VanDerWaalsContact O-N 3.07Å |
| 22 | F | 69.1 | Low | 63.4 | Low | 107 Ų | 107 | 118.5 Ų | 118.5 | 47% | 0.469 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.6 | -47.8 | 177.8 | -173.9 | -94.2 | 0 | 0 | 0 | 112.2 | I17 N18 L19 A24 E25 E26 | I17-F22 HydrophobicContact CG2-CB 4.38Å; I17-F22 HydrophobicContact CG2-CD2 4.4Å; N18-F22 PolarHBondContact O-N 3.46Å; L19-F22 PolarHBondContact O-N 3.27Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.49Å; F22-E25 PolarHBondContact O-N 3.14Å; F22-E26 PolarHBondContact O-N 3.18Å; F22-E26 VanDerWaalsContact O-N 3.1Å |
| 23 | F | 68.1 | Low | 61.9 | Low | 117 Ų | 117 | 117 Ų | 117 | 51% | 0.513 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.6 | -34.4 | 177 | -68.8 | -62.7 | 0 | 0 | 0 | 112.3 | L19 E25 E26 E27 | L19-F23 HydrophobicContact CB-CD2 4.32Å; L19-F23 HydrophobicContact CB-CE2 4.07Å; L19-F23 HydrophobicContact CD2-CE2 4.46Å; L19-F23 WeakPolarHBondContact O-CD2 3.38Å; L19-F23 PolarHBondContact O-N 3.06Å; F23-E25 VanDerWaalsContact C-N 3.29Å; F23-E25 PolarHBondContact O-N 3.07Å; F23-E26 PolarHBondContact O-N 2.97Å; F23-E27 PolarHBondContact O-N 3.17Å; F23-E27 VanDerWaalsContact O-N 3.07Å |
| 24 | A | 68.5 | Low | 60.5 | Low | 40 Ų | 40 | 112 Ų | 112 | 33% | 0.331 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.1 | -21.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D20 Q21 F22 K28 | D20-A24 VanDerWaalsContact O-CB 3.28Å; D20-A24 WeakPolarHBondContact O-CB 3.48Å; D20-A24 PolarHBondContact O-N 3.42Å; Q21-A24 PolarHBondContact O-N 3.2Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.49Å; A24-K28 WeakPolarHBondContact O-CG 3.46Å |
| 25 | E | 62.2 | Low | 58.7 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -82.1 | -36.2 | 171.7 | -99.2 | 156.6 | -178.1 | 0 | 0 | 111.9 | Q21 F22 F23 K28 E29 | Q21-E25 PolarHBondContact O-N 3.5Å; Q21-E25 VanDerWaalsContact O-N 3.07Å; F22-E25 PolarHBondContact O-N 3.14Å; F23-E25 VanDerWaalsContact C-N 3.29Å; F23-E25 PolarHBondContact O-N 3.07Å; E25-K28 PolarHBondContact O-N 3.47Å; E25-E29 PolarHBondContact O-N 2.83Å |
| 26 | E | 56.6 | Low | 57.5 | Low | 124 Ų | 124 | 113.6 Ų | 113.6 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.2 | -38.7 | 171.1 | -105.2 | -152.2 | 157.4 | 0 | 0 | 113.1 | F22 F23 K28 T30 | F22-E26 PolarHBondContact O-N 3.18Å; F22-E26 VanDerWaalsContact O-N 3.1Å; F23-E26 PolarHBondContact O-N 2.97Å; E26-K28 PolarHBondContact O-N 3.35Å; E26-T30 PolarHBondContact O-OG1 3.5Å |
| 27 | E | 55.5 | Low | 56 | Low | 151 Ų | 151 | 110.9 Ų | 110.9 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.6 | -17 | 175.7 | -77.8 | -171.8 | 165.1 | 0 | 0 | 113.4 | F23 T30 | F23-E27 PolarHBondContact O-N 3.17Å; F23-E27 VanDerWaalsContact O-N 3.07Å; E27-T30 PolarHBondContact O-OG1 2.93Å |
| 28 | K | 56.6 | Low | 54.8 | Low | 162 Ų | 162 | 116.3 Ų | 116.3 | 70% | 0.704 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -98.5 | -18.6 | 179.6 | -76.8 | 177.8 | -176.5 | 167.9 | 0 | 114.2 | A24 E25 E26 | A24-K28 WeakPolarHBondContact O-CG 3.46Å; E25-K28 PolarHBondContact O-N 3.47Å; E26-K28 PolarHBondContact O-N 3.35Å |
| 29 | E | 49.6 | Very low | 53.2 | Low | 168 Ų | 168 | 121.3 Ų | 121.3 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -86.5 | -13.6 | 172.5 | -73.9 | -155.5 | 153.4 | 0 | 0 | 113.6 | E25 D31 | E25-E29 PolarHBondContact O-N 2.83Å; E29-D31 VanDerWaalsContact C-N 3.29Å; E29-D31 PolarHBondContact O-N 3.27Å |
| 30 | T | 45.9 | Very low | 52 | Low | 98 Ų | 98 | 123.6 Ų | 123.6 | 60% | 0.601 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -10.8 | 176.7 | 37.6 | 0 | 0 | 0 | 0 | 114.5 | E26 E27 | E26-T30 PolarHBondContact O-OG1 3.5Å; E27-T30 PolarHBondContact O-OG1 2.93Å |
| 31 | D | 47.7 | Very low | 50.9 | Low | 146 Ų | 146 | 127.4 Ų | 127.4 | 78% | 0.781 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 5 | -177.4 | -107.5 | -13.9 | 0 | 0 | 0 | 114.6 | E29 | E29-D31 VanDerWaalsContact C-N 3.29Å; E29-D31 PolarHBondContact O-N 3.27Å |
| 32 | K | 45.7 | Very low | 49.8 | Very low | 195 Ų | 195 | 127.2 Ų | 127.2 | 85% | 0.848 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -139.6 | 70.1 | 178.6 | -66.7 | -172.3 | -177.8 | 175.2 | 0 | 112.9 | ||
| 33 | G | 36.9 | Very low | 48.8 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | trans | 119.3 | 18.2 | 154 | 0 | 0 | 0 | 0 | 0 | 117.9 | D35 | G33-D35 PolarHBondContact O-N 3.3Š| ||
| 34 | A | 42.3 | Very low | 47.8 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | trans | -79.8 | 104 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | V36 | A34-V36 HydrophobicContact CB-CG2 3.89Å; A34-V36 PolarHBondContact O-N 2.86Å | ||
| 35 | D | 39 | Very low | 46.9 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | trans | -60.1 | 79.8 | 155.8 | -166.1 | 24.5 | 0 | 0 | 0 | 106.7 | G33 H37 | G33-D35 PolarHBondContact O-N 3.3Å; D35-H37 PolarHBondContact O-N 3.12Å | ||
| 36 | V | 46 | Very low | 46.9 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | trans | -72.4 | 89.8 | 170.6 | -179.2 | 0 | 0 | 0 | 0 | 104.2 | A34 E38 | A34-V36 HydrophobicContact CB-CG2 3.89Å; A34-V36 PolarHBondContact O-N 2.86Å; V36-E38 PolarHBondContact O-N 3.08Å | ||
| 37 | H | 39.7 | Very low | 47.3 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 62% | 0.616 | 74% | 0.739 | S | S | * | * | trans | -57.9 | 98.9 | 165.9 | -145.3 | -42.8 | 0 | 0 | 0 | 105.9 | D35 E39 | D35-H37 PolarHBondContact O-N 3.12Å; H37-E39 HydrophobicContact CB-CG 4.41Å; H37-E39 PolarHBondContact O-N 3.08Å | ||
| 38 | E | 39.2 | Very low | 48 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | -58.2 | 82.2 | 151.5 | -84.5 | -176.5 | 147.1 | 0 | 0 | 105.5 | V36 S40 | V36-E38 PolarHBondContact O-N 3.08Å; E38-S40 PolarHBondContact O-N 3.35Å | ||
| 39 | E | 40.6 | Very low | 48.8 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | -69.6 | 86.7 | 158.2 | -78.3 | -173.8 | 172.7 | 0 | 0 | 105.7 | H37 I41 | H37-E39 HydrophobicContact CB-CG 4.41Å; H37-E39 PolarHBondContact O-N 3.08Å; E39-I41 PolarHBondContact O-N 3.18Å; E39-I41 VanDerWaalsContact O-N 3.15Å | ||
| 40 | S | 43.1 | Very low | 49.8 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 58% | 0.58 | 72% | 0.717 | S | S | * | * | trans | -36.2 | 121.7 | 150 | 52.1 | 0 | 0 | 0 | 0 | 107.8 | E38 T42 | E38-S40 PolarHBondContact O-N 3.35Å; S40-T42 PolarHBondContact O-N 2.79Å; S40-T42 PolarHBondContact O-OG1 2.95Å | ||
| 41 | I | 47.4 | Very low | 51.3 | Low | 178 Ų | 178 | 131.9 Ų | 131.9 | 91% | 0.913 | 71% | 0.711 | S | S | * | * | trans | -50.4 | 93.5 | 171.7 | -58.5 | 165.7 | 0 | 0 | 0 | 106.3 | E39 | E39-I41 PolarHBondContact O-N 3.18Å; E39-I41 VanDerWaalsContact O-N 3.15Å | ||
| 42 | T | 46.2 | Very low | 52.5 | Low | 112 Ų | 112 | 129 Ų | 129 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | trans | -87.7 | 129.7 | 179 | 23.2 | 0 | 0 | 0 | 0 | 105.4 | S40 | S40-T42 PolarHBondContact O-N 2.79Å; S40-T42 PolarHBondContact O-OG1 2.95Å | ||
| 43 | E | 48.3 | Very low | 53.8 | Low | 184 Ų | 184 | 120.2 Ų | 120.2 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | trans | -27.1 | 129.1 | -179.9 | -63.1 | 170.6 | 160.5 | 0 | 0 | 113.6 | E45 | E43-E45 PolarHBondContact O-N 3.44Š| ||
| 44 | N | 47.2 | Very low | 55.6 | Low | 166 Ų | 166 | 122.1 Ų | 122.1 | 89% | 0.888 | 65% | 0.65 | S | S | * | * | trans | -29.8 | 96.9 | 172.6 | -70.2 | -57.7 | 0 | 0 | 0 | 112.4 | S46 | N44-S46 PolarHBondContact O-N 2.8Å; N44-S46 VanDerWaalsContact O-N 3.16Å | ||
| 45 | E | 49.9 | Very low | 57.2 | Low | 177 Ų | 177 | 124.8 Ų | 124.8 | 83% | 0.827 | 65% | 0.651 | S | S | * | * | trans | -57 | 124.5 | 156.8 | -82 | -169.6 | 155.8 | 0 | 0 | 105.7 | E43 V47 | E43-E45 PolarHBondContact O-N 3.44Å; E45-V47 WeakPolarHBondContact O-CG2 3.32Å; E45-V47 PolarHBondContact O-N 2.96Å | ||
| 46 | S | 61.7 | Low | 59 | Low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | trans | -64.1 | 85.1 | 179.4 | 58.3 | 0 | 0 | 0 | 0 | 108.5 | N44 D48 | N44-S46 PolarHBondContact O-N 2.8Å; N44-S46 VanDerWaalsContact O-N 3.16Å; S46-D48 PolarHBondContact O-N 3.03Å; S46-D48 VanDerWaalsContact O-N 3.09Å | ||
| 47 | V | 64.1 | Low | 60.2 | Low | 94 Ų | 94 | 115.6 Ų | 115.6 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | trans | -66.4 | 111.9 | 172.6 | -175.4 | 0 | 0 | 0 | 0 | 106 | E45 K49 L52 | E45-V47 WeakPolarHBondContact O-CG2 3.32Å; E45-V47 PolarHBondContact O-N 2.96Å; V47-K49 VanDerWaalsContact C-N 3.25Å; V47-K49 PolarHBondContact O-N 3.36Å; V47-L52 HydrophobicContact CG1-CD1 3.58Å; V47-L52 HydrophobicContact CG1-CG 4.16Å | ||
| 48 | D | 70.7 | Confident | 61.9 | Low | 122 Ų | 122 | 111.5 Ų | 111.5 | 65% | 0.652 | 59% | 0.594 | S | S | * | * | trans | -63.6 | 90.9 | 173 | -88.2 | -34.6 | 0 | 0 | 0 | 108.3 | S46 R50 A51 | S46-D48 PolarHBondContact O-N 3.03Å; S46-D48 VanDerWaalsContact O-N 3.09Å; D48-R50 PolarHBondContact O-N 3.17Å; D48-A51 HydrophobicContact CB-CB 4.2Å; D48-A51 WeakPolarHBondContact O-CB 3.26Å; D48-A51 PolarHBondContact O-N 3.05Å | ||
| 49 | K | 72.6 | Confident | 63.7 | Low | 96 Ų | 96 | 108 Ų | 108 | 42% | 0.417 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -51.6 | -27.8 | -179.7 | -62 | -179.2 | 178.7 | 177.8 | 0 | 112 | V47 L52 I53 A80 | V47-K49 VanDerWaalsContact C-N 3.25Å; V47-K49 PolarHBondContact O-N 3.36Å; K49-L52 PolarHBondContact O-N 3.31Å; K49-I53 VanDerWaalsContact O-CG1 3.31Å; K49-I53 WeakPolarHBondContact O-CG1 3.48Å; K49-I53 PolarHBondContact O-N 3.02Å; K49-I53 VanDerWaalsContact O-N 3.13Å; K49-A80 HydrophobicContact CB-CB 4.1Å; K49-A80 HydrophobicContact CD-CB 4.01Å; K49-A80 VanDerWaalsContact CD-O 3.28Å; K49-A80 WeakPolarHBondContact CD-O 3.45Å; K49-A80 PolarHBondContact NZ-O 2.92Å |
| 50 | R | 72.6 | Confident | 65.4 | Low | 177 Ų | 177 | 102.6 Ų | 102.6 | 67% | 0.668 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.6 | -41.2 | 173.6 | -70.2 | -174.1 | 171.7 | -167.6 | -2.7 | 113.4 | D48 L52 I53 D54 Y81 | D48-R50 PolarHBondContact O-N 3.17Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.49Å; R50-I53 PolarHBondContact O-N 3.25Å; R50-D54 PolarHBondContact O-N 2.94Å; R50-Y81 PolarHBondContact NE-OH 3.04Å; R50-Y81 VanDerWaalsContact NE-OH 3.15Å |
| 51 | A | 75.4 | Confident | 66.7 | Low | 59 Ų | 59 | 105.9 Ų | 105.9 | 49% | 0.488 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.9 | -39.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D48 D54 E55 | D48-A51 HydrophobicContact CB-CB 4.2Å; D48-A51 WeakPolarHBondContact O-CB 3.26Å; D48-A51 PolarHBondContact O-N 3.05Å; A51-D54 PolarHBondContact O-N 3.39Å; A51-E55 WeakPolarHBondContact O-CB 3.47Å; A51-E55 PolarHBondContact O-N 3.39Å |
| 52 | L | 74.4 | Confident | 68 | Low | 85 Ų | 85 | 104.8 Ų | 104.8 | 45% | 0.445 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.6 | -40.5 | 175.4 | -69.7 | 177.5 | 0 | 0 | 0 | 112.4 | V47 K49 R50 D54 E55 I56 | V47-L52 HydrophobicContact CG1-CD1 3.58Å; V47-L52 HydrophobicContact CG1-CG 4.16Å; K49-L52 PolarHBondContact O-N 3.31Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.49Å; L52-D54 VanDerWaalsContact C-N 3.34Å; L52-E55 PolarHBondContact O-N 3.18Å; L52-I56 VanDerWaalsContact O-CG1 3.26Å; L52-I56 WeakPolarHBondContact O-CG1 3.4Å; L52-I56 PolarHBondContact O-N 3.04Å |
| 53 | I | 73.3 | Confident | 69.2 | Low | 12 Ų | 12 | 107.7 Ų | 107.7 | 6% | 0.062 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -62.3 | -44.3 | 176 | -68.7 | 164.8 | 0 | 0 | 0 | 110.2 | K49 R50 E55 I56 G57 M73 A76 E77 A80 | K49-I53 VanDerWaalsContact O-CG1 3.31Å; K49-I53 WeakPolarHBondContact O-CG1 3.48Å; K49-I53 PolarHBondContact O-N 3.02Å; K49-I53 VanDerWaalsContact O-N 3.13Å; R50-I53 PolarHBondContact O-N 3.25Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 3.39Å; I53-I56 WeakPolarHBondContact O-CB 3.49Å; I53-I56 PolarHBondContact O-N 3.03Å; I53-G57 PolarHBondContact O-N 3.31Å; I53-M73 HydrophobicContact CG2-CE 3.41Å; I53-M73 VanDerWaalsContact CG2-CE 3.41Å; I53-M73 HydrophobicContact CG2-SD 3.95Å; I53-M73 VanDerWaalsContact O-CE 3.3Å; I53-M73 WeakPolarHBondContact O-CE 3.3Å; I53-A76 HydrophobicContact CG1-CB 4.09Å; I53-E77 HydrophobicContact CD1-CG 4.09Å; I53-E77 HydrophobicContact CG2-CG 4.46Å; I53-A80 HydrophobicContact CD1-CB 3.88Å |
| 54 | D | 74.4 | Confident | 70.5 | Confident | 117 Ų | 117 | 101 Ų | 101 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.4 | -38.1 | 177.5 | -74.8 | -19.1 | 0 | 0 | 0 | 112.5 | R50 A51 L52 G57 G58 | R50-D54 PolarHBondContact O-N 2.94Å; A51-D54 PolarHBondContact O-N 3.39Å; L52-D54 VanDerWaalsContact C-N 3.34Å; D54-G57 PolarHBondContact O-N 3.03Å; D54-G58 PolarHBondContact O-N 3.42Å |
| 55 | E | 76.3 | Confident | 72 | Confident | 121 Ų | 121 | 99.1 Ų | 99.1 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 175.2 | -171.2 | 176.1 | -170.5 | 0 | 0 | 111.7 | A51 L52 I53 G57 G58 I59 | A51-E55 WeakPolarHBondContact O-CB 3.47Å; A51-E55 PolarHBondContact O-N 3.39Å; L52-E55 PolarHBondContact O-N 3.18Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 3.39Å; E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 2.97Å; E55-G58 PolarHBondContact O-N 3.09Å; E55-I59 HydrophobicContact CG-CD1 4.07Å; E55-I59 VanDerWaalsContact O-CG1 3.3Å; E55-I59 WeakPolarHBondContact O-CG1 3.49Å; E55-I59 PolarHBondContact O-N 3.5Å |
| 56 | I | 76.5 | Confident | 73.2 | Confident | 64 Ų | 64 | 96.8 Ų | 96.8 | 33% | 0.328 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 173.2 | -68.3 | 164.2 | 0 | 0 | 0 | 110.3 | L52 I53 G58 I59 L60 V72 A76 | L52-I56 VanDerWaalsContact O-CG1 3.26Å; L52-I56 WeakPolarHBondContact O-CG1 3.4Å; L52-I56 PolarHBondContact O-N 3.04Å; I53-I56 WeakPolarHBondContact O-CB 3.49Å; I53-I56 PolarHBondContact O-N 3.03Å; I56-G58 VanDerWaalsContact C-N 3.34Å; I56-G58 PolarHBondContact O-N 3.01Å; I56-I59 PolarHBondContact O-N 2.72Å; I56-L60 HydrophobicContact CG2-CD1 3.79Å; I56-L60 VanDerWaalsContact O-CG 3.27Å; I56-L60 WeakPolarHBondContact O-CG 3.45Å; I56-L60 PolarHBondContact O-N 2.95Å; I56-V72 HydrophobicContact CG2-CG1 3.71Å; I56-A76 HydrophobicContact CD1-CB 4.27Å |
| 57 | G | 70 | Confident | 73.9 | Confident | 11 Ų | 11 | 99.2 Ų | 99.2 | 11% | 0.113 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I53 D54 E55 L60 K61 M73 | I53-G57 PolarHBondContact O-N 3.31Å; D54-G57 PolarHBondContact O-N 3.03Å; E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 2.97Å; G57-L60 PolarHBondContact O-N 3.12Å; G57-K61 PolarHBondContact O-N 2.9Å; G57-M73 VanDerWaalsContact CA-SD 3.53Å |
| 58 | G | 76.8 | Confident | 74.6 | Confident | 47 Ų | 47 | 98.8 Ų | 98.8 | 49% | 0.485 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D54 E55 I56 L60 | D54-G58 PolarHBondContact O-N 3.42Å; E55-G58 PolarHBondContact O-N 3.09Å; I56-G58 VanDerWaalsContact C-N 3.34Å; I56-G58 PolarHBondContact O-N 3.01Å; G58-L60 VanDerWaalsContact C-N 3.3Å; G58-L60 PolarHBondContact O-N 2.99Å |
| 59 | I | 76.8 | Confident | 74.8 | Confident | 104 Ų | 104 | 94 Ų | 94 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -33.8 | 179.1 | -67.6 | 165.1 | 0 | 0 | 0 | 111.6 | E55 I56 | E55-I59 HydrophobicContact CG-CD1 4.07Å; E55-I59 VanDerWaalsContact O-CG1 3.3Å; E55-I59 WeakPolarHBondContact O-CG1 3.49Å; E55-I59 PolarHBondContact O-N 3.5Å; I56-I59 PolarHBondContact O-N 2.72Å |
| 60 | L | 75.5 | Confident | 75 | Confident | 37 Ų | 37 | 98.7 Ų | 98.7 | 19% | 0.194 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -86.4 | -21.1 | -174.6 | -63.4 | 169.4 | 0 | 0 | 0 | 113.9 | I56 G57 G58 D62 K63 V64 I69 V72 | I56-L60 HydrophobicContact CG2-CD1 3.79Å; I56-L60 VanDerWaalsContact O-CG 3.27Å; I56-L60 WeakPolarHBondContact O-CG 3.45Å; I56-L60 PolarHBondContact O-N 2.95Å; G57-L60 PolarHBondContact O-N 3.12Å; G58-L60 VanDerWaalsContact C-N 3.3Å; G58-L60 PolarHBondContact O-N 2.99Å; L60-D62 PolarHBondContact O-N 3.07Å; L60-K63 PolarHBondContact O-N 3.46Å; L60-V64 HydrophobicContact CB-CG2 4.32Å; L60-V64 HydrophobicContact CD2-CG2 3.76Å; L60-V64 PolarHBondContact O-N 2.87Å; L60-V64 VanDerWaalsContact O-N 3.16Å; L60-I69 HydrophobicContact CB-CD1 4.37Å; L60-I69 HydrophobicContact CB-CG1 3.9Å; L60-V72 HydrophobicContact CD1-CB 3.8Å; L60-V72 HydrophobicContact CD1-CG1 3.57Å; L60-V72 HydrophobicContact CD1-CG2 4.08Å |
| 61 | K | 70.1 | Confident | 75.4 | Confident | 151 Ų | 151 | 93.4 Ų | 93.4 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.6 | -172.8 | -158.3 | 171.9 | -178.8 | 178.2 | 0 | 115.6 | G57 | G57-K61 PolarHBondContact O-N 2.9Š|
| 62 | D | 74.4 | Confident | 75.5 | Confident | 155 Ų | 155 | 92.9 Ų | 92.9 | 83% | 0.829 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -2.7 | -179.2 | -65.7 | -28 | 0 | 0 | 0 | 113.9 | L60 | L60-D62 PolarHBondContact O-N 3.07Š|
| 63 | K | 73.3 | Confident | 75.5 | Confident | 174 Ų | 174 | 90.6 Ų | 90.6 | 76% | 0.757 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | -19.3 | -171.6 | -67.8 | -168.9 | 178.8 | -171.7 | 0 | 114.3 | L60 | L60-K63 PolarHBondContact O-N 3.46Š|
| 64 | V | 73.7 | Confident | 75.8 | Confident | 44 Ų | 44 | 94.5 Ų | 94.5 | 27% | 0.267 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -140.6 | 145.6 | -167.8 | -153.6 | 0 | 0 | 0 | 0 | 110 | L60 I68 I69 | L60-V64 HydrophobicContact CB-CG2 4.32Å; L60-V64 HydrophobicContact CD2-CG2 3.76Å; L60-V64 PolarHBondContact O-N 2.87Å; L60-V64 VanDerWaalsContact O-N 3.16Å; V64-I68 HydrophobicContact CG1-CB 3.41Å; V64-I68 VanDerWaalsContact CG1-CB 3.41Å; V64-I68 HydrophobicContact CG1-CD1 3.53Å; V64-I68 HydrophobicContact CG1-CG1 4.01Å; V64-I68 HydrophobicContact CG1-CG2 3.47Å; V64-I68 VanDerWaalsContact CG1-CG2 3.47Å; V64-I69 HydrophobicContact CB-CG1 4.25Å; V64-I69 WeakPolarHBondContact O-CD1 3.42Å |
| 65 | D | 78.9 | Confident | 76 | Confident | 126 Ų | 126 | 95.8 Ų | 95.8 | 67% | 0.674 | 48% | 0.479 | S | S | * | . | trans | -57.4 | 143.9 | 174.7 | -65.7 | -44.9 | 0 | 0 | 0 | 111.4 | E67 I68 I69 | D65-E67 PolarHBondContact O-N 3.17Å; D65-I68 PolarHBondContact O-N 2.69Å; D65-I69 PolarHBondContact O-N 3.2Å; D65-I69 VanDerWaalsContact O-N 3.12Å | ||
| 66 | D | 75.7 | Confident | 75.9 | Confident | 127 Ų | 127 | 90.9 Ų | 90.9 | 68% | 0.679 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -50.2 | -31.5 | -177.7 | -75.8 | -27.5 | 0 | 0 | 0 | 113.5 | I69 R70 | D66-I69 PolarHBondContact O-N 2.87Å; D66-R70 WeakPolarHBondContact O-CB 3.37Å; D66-R70 PolarHBondContact O-N 2.88Å |
| 67 | E | 76.7 | Confident | 75.7 | Confident | 160 Ų | 160 | 92.8 Ų | 92.8 | 75% | 0.748 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.2 | -39.3 | 178.2 | -170.9 | 169.6 | -159.2 | 0 | 0 | 112.8 | D65 R70 T71 | D65-E67 PolarHBondContact O-N 3.17Å; E67-R70 PolarHBondContact O-N 2.78Å; E67-T71 PolarHBondContact O-N 3.4Å; E67-T71 VanDerWaalsContact O-N 3.07Å; E67-T71 PolarHBondContact O-OG1 3.19Å |
| 68 | I | 78.3 | Confident | 76 | Confident | 86 Ų | 86 | 97.6 Ų | 97.6 | 44% | 0.441 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.9 | -39 | 176.1 | -58.7 | 170.1 | 0 | 0 | 0 | 109.4 | V64 D65 R70 T71 V72 | V64-I68 HydrophobicContact CG1-CB 3.41Å; V64-I68 VanDerWaalsContact CG1-CB 3.41Å; V64-I68 HydrophobicContact CG1-CD1 3.53Å; V64-I68 HydrophobicContact CG1-CG1 4.01Å; V64-I68 HydrophobicContact CG1-CG2 3.47Å; V64-I68 VanDerWaalsContact CG1-CG2 3.47Å; D65-I68 PolarHBondContact O-N 2.69Å; I68-R70 VanDerWaalsContact C-N 3.29Å; I68-R70 PolarHBondContact O-N 3.42Å; I68-T71 WeakPolarHBondContact O-CB 3.41Å; I68-T71 PolarHBondContact O-N 2.91Å; I68-T71 VanDerWaalsContact O-N 3.11Å; I68-V72 HydrophobicContact CG2-CG2 4.29Å; I68-V72 WeakPolarHBondContact O-CG2 3.39Å; I68-V72 PolarHBondContact O-N 2.92Å |
| 69 | I | 76 | Confident | 75.8 | Confident | 20 Ų | 20 | 102.5 Ų | 102.5 | 10% | 0.103 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -55.5 | -49.3 | 173.3 | -60 | 176.7 | 0 | 0 | 0 | 109.5 | L60 V64 D65 D66 T71 V72 M73 | L60-I69 HydrophobicContact CB-CD1 4.37Å; L60-I69 HydrophobicContact CB-CG1 3.9Å; V64-I69 HydrophobicContact CB-CG1 4.25Å; V64-I69 WeakPolarHBondContact O-CD1 3.42Å; D65-I69 PolarHBondContact O-N 3.2Å; D65-I69 VanDerWaalsContact O-N 3.12Å; D66-I69 PolarHBondContact O-N 2.87Å; I69-T71 VanDerWaalsContact C-N 3.27Å; I69-T71 PolarHBondContact O-N 3.45Å; I69-V72 PolarHBondContact O-N 3.16Å; I69-V72 VanDerWaalsContact O-N 3.12Å; I69-M73 HydrophobicContact CG2-CG 4.12Å; I69-M73 VanDerWaalsContact O-CG 3.23Å; I69-M73 WeakPolarHBondContact O-CG 3.43Å; I69-M73 PolarHBondContact O-N 2.87Å |
| 70 | R | 76.5 | Confident | 75.3 | Confident | 196 Ų | 196 | 98.1 Ų | 98.1 | 74% | 0.74 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57.8 | -41.1 | 177.8 | -167.2 | 177 | -173.9 | -177.1 | 1.4 | 112.2 | D66 E67 I68 M73 E74 | D66-R70 WeakPolarHBondContact O-CB 3.37Å; D66-R70 PolarHBondContact O-N 2.88Å; E67-R70 PolarHBondContact O-N 2.78Å; I68-R70 VanDerWaalsContact C-N 3.29Å; I68-R70 PolarHBondContact O-N 3.42Å; R70-M73 PolarHBondContact O-N 3.31Å; R70-E74 WeakPolarHBondContact O-CB 3.34Å; R70-E74 PolarHBondContact O-N 2.82Å |
| 71 | T | 80.2 | Confident | 74.8 | Confident | 65 Ų | 65 | 102.7 Ų | 102.7 | 40% | 0.399 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 177.5 | -53.3 | 0 | 0 | 0 | 0 | 112 | E67 I68 I69 K75 | E67-T71 PolarHBondContact O-N 3.4Å; E67-T71 VanDerWaalsContact O-N 3.07Å; E67-T71 PolarHBondContact O-OG1 3.19Å; I68-T71 WeakPolarHBondContact O-CB 3.41Å; I68-T71 PolarHBondContact O-N 2.91Å; I68-T71 VanDerWaalsContact O-N 3.11Å; I69-T71 VanDerWaalsContact C-N 3.27Å; I69-T71 PolarHBondContact O-N 3.45Å; T71-K75 WeakPolarHBondContact O-CB 3.34Å; T71-K75 WeakPolarHBondContact O-CG 3.26Å; T71-K75 PolarHBondContact O-N 3.31Å |
| 72 | V | 78.3 | Confident | 74.2 | Confident | 48 Ų | 48 | 100.5 Ų | 100.5 | 29% | 0.291 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.5 | -43.3 | 177 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | I56 L60 I68 I69 K75 A76 | I56-V72 HydrophobicContact CG2-CG1 3.71Å; L60-V72 HydrophobicContact CD1-CB 3.8Å; L60-V72 HydrophobicContact CD1-CG1 3.57Å; L60-V72 HydrophobicContact CD1-CG2 4.08Å; I68-V72 HydrophobicContact CG2-CG2 4.29Å; I68-V72 WeakPolarHBondContact O-CG2 3.39Å; I68-V72 PolarHBondContact O-N 2.92Å; I69-V72 PolarHBondContact O-N 3.16Å; I69-V72 VanDerWaalsContact O-N 3.12Å; V72-K75 PolarHBondContact O-N 2.92Å; V72-A76 WeakPolarHBondContact O-CB 3.37Å; V72-A76 PolarHBondContact O-N 3.1Å |
| 73 | M | 74.3 | Confident | 73.2 | Confident | 38 Ų | 38 | 98.8 Ų | 98.8 | 19% | 0.187 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 177 | -64.9 | -63.9 | -82.4 | 0 | 0 | 111.4 | I53 G57 I69 R70 K75 A76 E77 | I53-M73 HydrophobicContact CG2-CE 3.41Å; I53-M73 VanDerWaalsContact CG2-CE 3.41Å; I53-M73 HydrophobicContact CG2-SD 3.95Å; I53-M73 VanDerWaalsContact O-CE 3.3Å; I53-M73 WeakPolarHBondContact O-CE 3.3Å; G57-M73 VanDerWaalsContact CA-SD 3.53Å; I69-M73 HydrophobicContact CG2-CG 4.12Å; I69-M73 VanDerWaalsContact O-CG 3.23Å; I69-M73 WeakPolarHBondContact O-CG 3.43Å; I69-M73 PolarHBondContact O-N 2.87Å; R70-M73 PolarHBondContact O-N 3.31Å; M73-K75 VanDerWaalsContact C-N 3.33Å; M73-K75 PolarHBondContact O-N 3.38Å; M73-A76 PolarHBondContact O-N 3.18Å; M73-E77 WeakPolarHBondContact O-CB 3.47Å; M73-E77 WeakPolarHBondContact O-CG 3.35Å; M73-E77 PolarHBondContact O-N 3.06Å |
| 74 | E | 79.1 | Confident | 72 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 176.3 | -167.3 | -170.5 | 153.1 | 0 | 0 | 112 | R70 K78 | R70-E74 WeakPolarHBondContact O-CB 3.34Å; R70-E74 PolarHBondContact O-N 2.82Å; E74-K78 WeakPolarHBondContact O-CB 3.42Å; E74-K78 WeakPolarHBondContact O-CG 3.46Å; E74-K78 PolarHBondContact O-N 3.26Å; E74-K78 IonicContact OE1-NZ 2.69Å; E74-K78 PolarHBondContact OE1-NZ 3.16Å |
| 75 | K | 79.4 | Confident | 70.7 | Confident | 145 Ų | 145 | 102.7 Ų | 102.7 | 63% | 0.63 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.8 | -38.8 | 173.9 | -76.4 | -176.8 | 177.8 | -175.1 | 0 | 112.1 | T71 V72 M73 K78 L79 | T71-K75 WeakPolarHBondContact O-CB 3.34Å; T71-K75 WeakPolarHBondContact O-CG 3.26Å; T71-K75 PolarHBondContact O-N 3.31Å; V72-K75 PolarHBondContact O-N 2.92Å; M73-K75 VanDerWaalsContact C-N 3.33Å; M73-K75 PolarHBondContact O-N 3.38Å; K75-K78 PolarHBondContact O-N 3.38Å; K75-L79 VanDerWaalsContact O-CB 3.29Å; K75-L79 WeakPolarHBondContact O-CB 3.06Å; K75-L79 PolarHBondContact O-N 3.39Å |
| 76 | A | 74.2 | Confident | 69 | Low | 17 Ų | 17 | 102 Ų | 102 | 14% | 0.14 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I53 I56 V72 M73 L79 A80 | I53-A76 HydrophobicContact CG1-CB 4.09Å; I56-A76 HydrophobicContact CD1-CB 4.27Å; V72-A76 WeakPolarHBondContact O-CB 3.37Å; V72-A76 PolarHBondContact O-N 3.1Å; M73-A76 PolarHBondContact O-N 3.18Å; A76-L79 PolarHBondContact O-N 2.81Å; A76-A80 VanDerWaalsContact O-CB 3.24Å; A76-A80 WeakPolarHBondContact O-CB 3.39Å; A76-A80 PolarHBondContact O-N 2.86Å |
| 77 | E | 71.5 | Confident | 67.2 | Low | 104 Ų | 104 | 101.9 Ų | 101.9 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 171.5 | -76.5 | -178.9 | 175.6 | 0 | 0 | 111.5 | I53 M73 L79 A80 Y81 | I53-E77 HydrophobicContact CD1-CG 4.09Å; I53-E77 HydrophobicContact CG2-CG 4.46Å; M73-E77 WeakPolarHBondContact O-CB 3.47Å; M73-E77 WeakPolarHBondContact O-CG 3.35Å; M73-E77 PolarHBondContact O-N 3.06Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.17Å; E77-A80 PolarHBondContact O-N 2.88Å; E77-Y81 WeakPolarHBondContact O-CB 3.38Å; E77-Y81 WeakPolarHBondContact O-CD2 3.37Å; E77-Y81 PolarHBondContact O-N 3.29Å |
| 78 | K | 76.3 | Confident | 65.6 | Low | 112 Ų | 112 | 97.8 Ų | 97.8 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -35.9 | 176.7 | -80.8 | 171.2 | 174.2 | 163.3 | 0 | 112.8 | E74 K75 N82 | E74-K78 WeakPolarHBondContact O-CB 3.42Å; E74-K78 WeakPolarHBondContact O-CG 3.46Å; E74-K78 PolarHBondContact O-N 3.26Å; E74-K78 IonicContact OE1-NZ 2.69Å; E74-K78 PolarHBondContact OE1-NZ 3.16Å; K75-K78 PolarHBondContact O-N 3.38Å; K78-N82 WeakPolarHBondContact O-CB 3.31Å; K78-N82 PolarHBondContact O-N 3.3Å; K78-N82 PolarHBondContact O-ND2 2.99Å |
| 79 | L | 72.4 | Confident | 63.9 | Low | 150 Ų | 150 | 100.7 Ų | 100.7 | 79% | 0.785 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -79.5 | -29.2 | -179.5 | -156.7 | 138.9 | 0 | 0 | 0 | 111.9 | K75 A76 E77 | K75-L79 VanDerWaalsContact O-CB 3.29Å; K75-L79 WeakPolarHBondContact O-CB 3.06Å; K75-L79 PolarHBondContact O-N 3.39Å; A76-L79 PolarHBondContact O-N 2.81Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.17Å |
| 80 | A | 65.7 | Low | 62.3 | Low | 13 Ų | 13 | 107.8 Ų | 107.8 | 11% | 0.107 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -76.6 | -37.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K49 I53 A76 E77 | K49-A80 HydrophobicContact CB-CB 4.1Å; K49-A80 HydrophobicContact CD-CB 4.01Å; K49-A80 VanDerWaalsContact CD-O 3.28Å; K49-A80 WeakPolarHBondContact CD-O 3.45Å; K49-A80 PolarHBondContact NZ-O 2.92Å; I53-A80 HydrophobicContact CD1-CB 3.88Å; A76-A80 VanDerWaalsContact O-CB 3.24Å; A76-A80 WeakPolarHBondContact O-CB 3.39Å; A76-A80 PolarHBondContact O-N 2.86Å; E77-A80 PolarHBondContact O-N 2.88Å |
| 81 | Y | 65.6 | Low | 60.6 | Low | 132 Ų | 132 | 107.7 Ų | 107.7 | 52% | 0.518 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -107 | -13.7 | -172.2 | -73.3 | -72.6 | 0 | 0 | 0 | 115.3 | R50 E77 D83 | R50-Y81 PolarHBondContact NE-OH 3.04Å; R50-Y81 VanDerWaalsContact NE-OH 3.15Å; E77-Y81 WeakPolarHBondContact O-CB 3.38Å; E77-Y81 WeakPolarHBondContact O-CD2 3.37Å; E77-Y81 PolarHBondContact O-N 3.29Å; Y81-D83 PolarHBondContact O-N 3.32Å |
| 82 | N | 58.5 | Low | 58.9 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -85.4 | 99.6 | 162.1 | -66.2 | -51.3 | 0 | 0 | 0 | 107.7 | K78 S84 | K78-N82 WeakPolarHBondContact O-CB 3.31Å; K78-N82 PolarHBondContact O-N 3.3Å; K78-N82 PolarHBondContact O-ND2 2.99Å; N82-S84 PolarHBondContact O-N 3.44Å |
| 83 | D | 52.7 | Low | 57.1 | Low | 119 Ų | 119 | 116.7 Ų | 116.7 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | trans | -53.9 | 130.3 | 159.1 | -72.6 | -30.4 | 0 | 0 | 0 | 107.1 | Y81 E85 | Y81-D83 PolarHBondContact O-N 3.32Å; D83-E85 PolarHBondContact O-N 3.01Å | ||
| 84 | S | 47.6 | Very low | 55.5 | Low | 123 Ų | 123 | 122.5 Ų | 122.5 | 86% | 0.86 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 64.8 | -179.8 | 70.4 | 0 | 0 | 0 | 0 | 110.3 | N82 | N82-S84 PolarHBondContact O-N 3.44Š|
| 85 | E | 46.8 | Very low | 53.7 | Low | 177 Ų | 177 | 126.1 Ų | 126.1 | 83% | 0.827 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 0.8 | 171.1 | -72.6 | -161.1 | 155.4 | 0 | 0 | 112.4 | D83 | D83-E85 PolarHBondContact O-N 3.01Š|
| 86 | T | 43.8 | Very low | 52.1 | Low | 111 Ų | 111 | 126.7 Ų | 126.7 | 68% | 0.681 | 68% | 0.676 | S | S | * | * | trans | -101.9 | 91.1 | 163.4 | 61.3 | 0 | 0 | 0 | 0 | 109.8 | A88 | T86-A88 PolarHBondContact O-N 3.16Š| ||
| 87 | S | 37 | Very low | 50.5 | Low | 126 Ų | 126 | 133.2 Ų | 133.2 | 88% | 0.881 | 70% | 0.701 | S | S | * | * | trans | -60.3 | 60.6 | 144.1 | 38.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 88 | A | 43.4 | Very low | 49.1 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 61% | 0.612 | 71% | 0.712 | S | S | * | * | trans | -87.8 | 110.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | T86 N90 | T86-A88 PolarHBondContact O-N 3.16Å; A88-N90 PolarHBondContact O-N 2.91Å | ||
| 89 | D | 41.8 | Very low | 47.4 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | trans | -28.2 | 127.9 | 167.7 | -69.9 | -54.5 | 0 | 0 | 0 | 112 | K91 | D89-K91 PolarHBondContact O-N 3.03Š| ||
| 90 | N | 44.2 | Very low | 45.8 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 90% | 0.904 | 72% | 0.721 | S | S | * | * | trans | -62 | 80 | 155 | -92.7 | -18.1 | 0 | 0 | 0 | 107 | A88 C92 | A88-N90 PolarHBondContact O-N 2.91Å; N90-C92 PolarHBondContact O-N 3.45Å | ||
| 91 | K | 40.4 | Very low | 44.7 | Very low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -70.6 | 74.3 | 165.3 | -146.4 | 177.5 | -166.9 | -178.9 | 0 | 105.6 | D89 M93 | D89-K91 PolarHBondContact O-N 3.03Å; K91-M93 PolarHBondContact O-N 2.85Å | ||
| 92 | C | 43.1 | Very low | 43.3 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -55 | 119.1 | 160.4 | -168.9 | 0 | 0 | 0 | 0 | 105.5 | N90 N94 | N90-C92 PolarHBondContact O-N 3.45Å; C92-N94 PolarHBondContact O-N 3.12Å | ||
| 93 | M | 40.7 | Very low | 42.2 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -50.8 | 110.4 | 178.8 | -69 | -149.4 | 151.8 | 0 | 0 | 109.7 | K91 | K91-M93 PolarHBondContact O-N 2.85Š| ||
| 94 | N | 41.3 | Very low | 41.6 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -132.8 | 113.3 | 156 | -155.3 | 34 | 0 | 0 | 0 | 106.3 | C92 | C92-N94 PolarHBondContact O-N 3.12Š| ||
| 95 | E | 41.2 | Very low | 41.1 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -59.4 | 157.8 | 171.1 | -66.5 | 168.5 | 149.6 | 0 | 0 | 109.9 | ||||
| 96 | E | 45.5 | Very low | 41.1 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | trans | 106.6 | 113.1 | 165.4 | -56.4 | -167.5 | -169.9 | 0 | 0 | 118.7 | ||||
| 97 | K | 42 | Very low | 40.8 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | trans | 84.8 | 106 | 143.8 | -68.6 | 167.8 | -177.3 | 133.4 | 0 | 117.8 | ||||
| 98 | E | 41.8 | Very low | 41 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | 92.2 | 110 | 95.5 | -81.7 | 176.3 | -163.5 | 0 | 0 | 109.4 | |||||
| 99 | E | 39.7 | Very low | 40.8 | Very low | 164 Ų | 164 | 160 Ų | 160 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | 65.4 | 115.5 | 111.1 | -69.3 | -177.5 | -176 | 0 | 0 | 110.4 | |||||
| 100 | D | 39.3 | Very low | 41 | Very low | 129 Ų | 129 | 161.2 Ų | 161.2 | 69% | 0.69 | 81% | 0.806 | S | S | * | * | cis | -177.2 | 160.2 | 49.5 | -96.8 | -35.1 | 0 | 0 | 0 | 111.3 | ||||
| 101 | E | 41.5 | Very low | 41.1 | Very low | 179 Ų | 179 | 159.3 Ų | 159.3 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | 67.4 | 101.7 | 142.8 | -68.4 | -179 | 169.9 | 0 | 0 | 122.9 | ||||
| 102 | D | 36.6 | Very low | 41 | Very low | 169 Ų | 169 | 156.5 Ų | 156.5 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | 8.7 | 132.4 | 126.8 | -146.1 | 8.9 | 0 | 0 | 0 | 119.7 | |||||
| 103 | G | 36.7 | Very low | 41.3 | Very low | 76 Ų | 76 | 158.2 Ų | 158.2 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -172.2 | 85.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 104 | E | 40.2 | Very low | 41.8 | Very low | 180 Ų | 180 | 153 Ų | 153 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | -52.2 | 147.3 | 178.9 | -139.2 | 176.1 | -160.6 | 0 | 0 | 115 | ||||
| 105 | D | 36.9 | Very low | 42.4 | Very low | 126 Ų | 126 | 150 Ų | 150 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | trans | 106.2 | 138.8 | 130.4 | -143 | 15.3 | 0 | 0 | 0 | 120.4 | ||||
| 106 | K | 46.3 | Very low | 43 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | 95.2 | 97.9 | 157.7 | -55.7 | -174.1 | -176.6 | 166.3 | 0 | 120.3 | ||||
| 107 | K | 37.2 | Very low | 43.6 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | 2 | 126.5 | 128.4 | -69.7 | 177.1 | 176.1 | -179.5 | 0 | 114.9 | |||||
| 108 | D | 40.6 | Very low | 44.4 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 87% | 0.872 | 73% | 0.734 | S | S | * | * | -153.5 | 127.7 | 124.6 | -90.5 | -32.1 | 0 | 0 | 0 | 110.1 | E110 | D108-E110 PolarHBondContact O-N 2.86Š| |||
| 109 | E | 39.8 | Very low | 45.2 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | trans | -70.6 | 105.8 | 167 | -67.5 | 170.8 | 167 | 0 | 0 | 107.4 | ||||
| 110 | E | 46.9 | Very low | 46.9 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -145.8 | 107.9 | 166.1 | -135.9 | 174.4 | -154.9 | 0 | 0 | 112.1 | D108 | D108-E110 PolarHBondContact O-N 2.86Š| ||
| 111 | E | 44.8 | Very low | 48.8 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 61% | 0.607 | 71% | 0.709 | S | S | * | * | trans | 53.7 | 109.7 | 141.7 | -66.1 | -165.8 | 158.1 | 0 | 0 | 119.7 | K113 | E111-K113 VanDerWaalsContact C-N 3.25Å; E111-K113 PolarHBondContact O-N 3.11Å; E111-K113 IonicContact OE2-NZ 2.7Å; E111-K113 PolarHBondContact OE2-NZ 3.3Å | ||
| 112 | V | 39.8 | Very low | 50.7 | Low | 135 Ų | 135 | 132 Ų | 132 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -33.9 | 78.5 | 147.2 | -172.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 113 | K | 48.1 | Very low | 52.9 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 66% | 0.661 | 68% | 0.677 | S | S | * | * | trans | -146.5 | 13.1 | 168.3 | -69.9 | -172.6 | -175.8 | 131.8 | 0 | 112.9 | E111 | E111-K113 VanDerWaalsContact C-N 3.25Å; E111-K113 PolarHBondContact O-N 3.11Å; E111-K113 IonicContact OE2-NZ 2.7Å; E111-K113 PolarHBondContact OE2-NZ 3.3Å | ||
| 114 | S | 51.3 | Low | 55.1 | Low | 77 Ų | 77 | 126.5 Ų | 126.5 | 54% | 0.538 | 66% | 0.66 | S | S | . | * | trans | -86.9 | -19.2 | -175.7 | 51.6 | 0 | 0 | 0 | 0 | 115 | A116 K117 S118 | S114-A116 PolarHBondContact O-N 3.4Å; S114-K117 PolarHBondContact O-N 3.06Å; S114-S118 PolarHBondContact O-N 2.99Å | ||
| 115 | D | 54.9 | Low | 57.3 | Low | 96 Ų | 96 | 124.9 Ų | 124.9 | 51% | 0.513 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.5 | -34.8 | -170.9 | -64.3 | -42.9 | 0 | 0 | 0 | 113.8 | K117 S118 M119 | D115-K117 VanDerWaalsContact C-N 3.33Å; D115-K117 PolarHBondContact O-N 3.27Å; D115-S118 WeakPolarHBondContact CA-OG 3.43Å; D115-S118 PolarHBondContact O-N 3.33Å; D115-S118 PolarHBondContact O-OG 2.68Å; D115-M119 WeakPolarHBondContact O-CB 3.36Å; D115-M119 WeakPolarHBondContact O-CG 3.46Å; D115-M119 PolarHBondContact O-N 3.35Å |
| 116 | A | 52.6 | Low | 59.8 | Low | 82 Ų | 82 | 122 Ų | 122 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.3 | -33.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S114 N120 | S114-A116 PolarHBondContact O-N 3.4Å; A116-N120 WeakPolarHBondContact O-CB 3.35Å; A116-N120 PolarHBondContact O-N 3.15Å |
| 117 | K | 57.8 | Low | 61.7 | Low | 173 Ų | 173 | 115.7 Ų | 115.7 | 75% | 0.752 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.8 | -35.6 | 174.7 | -73.8 | -178.7 | -178.1 | 173.4 | 0 | 111.5 | S114 D115 A121 | S114-K117 PolarHBondContact O-N 3.06Å; D115-K117 VanDerWaalsContact C-N 3.33Å; D115-K117 PolarHBondContact O-N 3.27Å; K117-A121 WeakPolarHBondContact O-CB 3.32Å; K117-A121 PolarHBondContact O-N 3.46Å |
| 118 | S | 58.7 | Low | 64.1 | Low | 61 Ų | 61 | 110.7 Ų | 110.7 | 43% | 0.427 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.7 | -39.6 | 178.3 | 76.7 | 0 | 0 | 0 | 0 | 112.1 | S114 D115 A121 M122 | S114-S118 PolarHBondContact O-N 2.99Å; D115-S118 WeakPolarHBondContact CA-OG 3.43Å; D115-S118 PolarHBondContact O-N 3.33Å; D115-S118 PolarHBondContact O-OG 2.68Å; S118-A121 WeakPolarHBondContact O-CB 3.4Å; S118-A121 PolarHBondContact O-N 3.14Å; S118-M122 PolarHBondContact O-N 3.27Å |
| 119 | M | 60.5 | Low | 66.4 | Low | 141 Ų | 141 | 105.6 Ų | 105.6 | 70% | 0.695 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.2 | -40.7 | 174 | -72.8 | -171.6 | 178.3 | 0 | 0 | 112 | D115 A121 M122 A123 | D115-M119 WeakPolarHBondContact O-CB 3.36Å; D115-M119 WeakPolarHBondContact O-CG 3.46Å; D115-M119 PolarHBondContact O-N 3.35Å; M119-A121 VanDerWaalsContact C-N 3.35Å; M119-M122 PolarHBondContact O-N 3.13Å; M119-A123 WeakPolarHBondContact O-CB 3.29Å; M119-A123 PolarHBondContact O-N 2.94Å |
| 120 | N | 75.3 | Confident | 68.8 | Low | 104 Ų | 104 | 100.2 Ų | 100.2 | 56% | 0.556 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64 | -40.8 | 174 | -166.6 | -2.9 | 0 | 0 | 0 | 111.3 | A116 M122 A123 V124 | A116-N120 WeakPolarHBondContact O-CB 3.35Å; A116-N120 PolarHBondContact O-N 3.15Å; N120-M122 VanDerWaalsContact C-N 3.35Å; N120-M122 PolarHBondContact O-N 3.36Å; N120-A123 PolarHBondContact O-N 3.39Å; N120-V124 VanDerWaalsContact O-CG2 3.29Å; N120-V124 WeakPolarHBondContact O-CG2 3.34Å; N120-V124 PolarHBondContact O-N 3.01Å |
| 121 | A | 78.2 | Confident | 70.8 | Confident | 48 Ų | 48 | 98.7 Ų | 98.7 | 40% | 0.397 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K117 S118 M119 V124 K125 | K117-A121 WeakPolarHBondContact O-CB 3.32Å; K117-A121 PolarHBondContact O-N 3.46Å; S118-A121 WeakPolarHBondContact O-CB 3.4Å; S118-A121 PolarHBondContact O-N 3.14Å; M119-A121 VanDerWaalsContact C-N 3.35Å; A121-V124 PolarHBondContact O-N 3.22Å; A121-K125 WeakPolarHBondContact O-CG 3.45Å; A121-K125 PolarHBondContact O-N 2.93Å |
| 122 | M | 81.3 | Confident | 72.9 | Confident | 121 Ų | 121 | 94.9 Ų | 94.9 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.3 | -45.1 | 175 | -166.5 | 68.8 | -177.3 | 0 | 0 | 111.4 | S118 M119 N120 V124 K125 V126 | S118-M122 PolarHBondContact O-N 3.27Å; M119-M122 PolarHBondContact O-N 3.13Å; N120-M122 VanDerWaalsContact C-N 3.35Å; N120-M122 PolarHBondContact O-N 3.36Å; M122-V124 VanDerWaalsContact C-N 3.31Å; M122-V124 PolarHBondContact O-N 3.18Å; M122-K125 WeakPolarHBondContact O-CB 3.34Å; M122-K125 PolarHBondContact O-N 3.19Å; M122-K125 VanDerWaalsContact O-N 3.14Å; M122-V126 HydrophobicContact CE-CG2 4.43Å; M122-V126 WeakPolarHBondContact O-CG2 3.4Å; M122-V126 PolarHBondContact O-N 3.43Å |
| 123 | A | 82.7 | Confident | 75.2 | Confident | 58 Ų | 58 | 94.3 Ų | 94.3 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | M119 N120 V126 A127 | M119-A123 WeakPolarHBondContact O-CB 3.29Å; M119-A123 PolarHBondContact O-N 2.94Å; N120-A123 PolarHBondContact O-N 3.39Å; A123-V126 PolarHBondContact O-N 3.5Å; A123-A127 VanDerWaalsContact O-CB 3.26Å; A123-A127 WeakPolarHBondContact O-CB 3.27Å; A123-A127 PolarHBondContact O-N 3.47Å |
| 124 | V | 83.3 | Confident | 77 | Confident | 71 Ų | 71 | 90.8 Ų | 90.8 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | N120 A121 M122 A127 N128 | N120-V124 VanDerWaalsContact O-CG2 3.29Å; N120-V124 WeakPolarHBondContact O-CG2 3.34Å; N120-V124 PolarHBondContact O-N 3.01Å; A121-V124 PolarHBondContact O-N 3.22Å; M122-V124 VanDerWaalsContact C-N 3.31Å; M122-V124 PolarHBondContact O-N 3.18Å; V124-A127 PolarHBondContact O-N 2.85Å; V124-N128 WeakPolarHBondContact O-CB 3.36Å; V124-N128 PolarHBondContact O-N 2.91Å; V124-N128 PolarHBondContact O-ND2 3.42Å |
| 125 | K | 87.4 | Confident | 78.7 | Confident | 146 Ų | 146 | 89 Ų | 89 | 64% | 0.635 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.8 | -45.9 | 175.7 | -75.9 | 177.1 | -178.9 | -179.5 | 0 | 111.7 | A121 M122 N128 A129 | A121-K125 WeakPolarHBondContact O-CG 3.45Å; A121-K125 PolarHBondContact O-N 2.93Å; M122-K125 WeakPolarHBondContact O-CB 3.34Å; M122-K125 PolarHBondContact O-N 3.19Å; M122-K125 VanDerWaalsContact O-N 3.14Å; K125-N128 PolarHBondContact O-N 3.43Å; K125-A129 WeakPolarHBondContact O-CB 3.32Å; K125-A129 PolarHBondContact O-N 3.07Å |
| 126 | V | 89.5 | Confident | 80.3 | Confident | 67 Ų | 67 | 91 Ų | 91 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | M122 A123 N128 A129 I130 | M122-V126 HydrophobicContact CE-CG2 4.43Å; M122-V126 WeakPolarHBondContact O-CG2 3.4Å; M122-V126 PolarHBondContact O-N 3.43Å; A123-V126 PolarHBondContact O-N 3.5Å; V126-N128 VanDerWaalsContact C-N 3.32Å; V126-N128 PolarHBondContact O-N 3.49Å; V126-A129 PolarHBondContact O-N 3.29Å; V126-A129 VanDerWaalsContact O-N 3.16Å; V126-I130 HydrophobicContact CG1-CD1 3.71Å; V126-I130 HydrophobicContact CG1-CG1 4.34Å; V126-I130 VanDerWaalsContact O-CG1 3.31Å; V126-I130 WeakPolarHBondContact O-CG1 3.47Å; V126-I130 PolarHBondContact O-N 3.29Å |
| 127 | A | 85.3 | Confident | 82 | Confident | 41 Ų | 41 | 89.5 Ų | 89.5 | 34% | 0.339 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A123 V124 K131 | A123-A127 VanDerWaalsContact O-CB 3.26Å; A123-A127 WeakPolarHBondContact O-CB 3.27Å; A123-A127 PolarHBondContact O-N 3.47Å; V124-A127 PolarHBondContact O-N 2.85Å; A127-K131 WeakPolarHBondContact O-CB 3.49Å; A127-K131 VanDerWaalsContact O-CG 3.23Å; A127-K131 WeakPolarHBondContact O-CG 3.38Å; A127-K131 PolarHBondContact O-N 3.2Å |
| 128 | N | 87.6 | Confident | 83.4 | Confident | 90 Ų | 90 | 87.1 Ų | 87.1 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 175.3 | -72.4 | -20.2 | 0 | 0 | 0 | 111.9 | V124 K125 V126 K131 A132 | V124-N128 WeakPolarHBondContact O-CB 3.36Å; V124-N128 PolarHBondContact O-N 2.91Å; V124-N128 PolarHBondContact O-ND2 3.42Å; K125-N128 PolarHBondContact O-N 3.43Å; V126-N128 VanDerWaalsContact C-N 3.32Å; V126-N128 PolarHBondContact O-N 3.49Å; N128-K131 PolarHBondContact O-N 3.39Å; N128-A132 VanDerWaalsContact O-CB 3.31Å; N128-A132 WeakPolarHBondContact O-CB 3.21Å; N128-A132 PolarHBondContact O-N 3.21Å |
| 129 | A | 88.7 | Confident | 84.8 | Confident | 57 Ų | 57 | 91 Ų | 91 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K125 V126 K131 A132 E133 | K125-A129 WeakPolarHBondContact O-CB 3.32Å; K125-A129 PolarHBondContact O-N 3.07Å; V126-A129 PolarHBondContact O-N 3.29Å; V126-A129 VanDerWaalsContact O-N 3.16Å; A129-K131 PolarHBondContact O-N 3Å; A129-A132 PolarHBondContact O-N 3.46Å; A129-A132 VanDerWaalsContact O-N 3.17Å; A129-E133 WeakPolarHBondContact O-CB 3.44Å; A129-E133 PolarHBondContact O-N 3.38Å |
| 130 | I | 89.8 | Confident | 86.2 | Confident | 82 Ų | 82 | 89 Ų | 89 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 175.7 | -67.3 | 167.3 | 0 | 0 | 0 | 110.4 | V126 A132 E133 N134 | V126-I130 HydrophobicContact CG1-CD1 3.71Å; V126-I130 HydrophobicContact CG1-CG1 4.34Å; V126-I130 VanDerWaalsContact O-CG1 3.31Å; V126-I130 WeakPolarHBondContact O-CG1 3.47Å; V126-I130 PolarHBondContact O-N 3.29Å; I130-A132 VanDerWaalsContact C-N 3.32Å; I130-A132 PolarHBondContact O-N 3.18Å; I130-E133 PolarHBondContact O-N 2.83Å; I130-N134 VanDerWaalsContact O-CB 3.29Å; I130-N134 WeakPolarHBondContact O-CB 3.46Å; I130-N134 PolarHBondContact O-N 3.41Å; I130-N134 PolarHBondContact O-ND2 3.43Å |
| 131 | K | 89.3 | Confident | 86.9 | Confident | 140 Ų | 140 | 88.6 Ų | 88.6 | 61% | 0.609 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.4 | -41.4 | 175.3 | -77 | 174.5 | -178.4 | 178.4 | 0 | 112 | A127 N128 A129 A135 | A127-K131 WeakPolarHBondContact O-CB 3.49Å; A127-K131 VanDerWaalsContact O-CG 3.23Å; A127-K131 WeakPolarHBondContact O-CG 3.38Å; A127-K131 PolarHBondContact O-N 3.2Å; N128-K131 PolarHBondContact O-N 3.39Å; A129-K131 PolarHBondContact O-N 3Å; K131-A135 VanDerWaalsContact O-CB 3.27Å; K131-A135 WeakPolarHBondContact O-CB 3.47Å; K131-A135 PolarHBondContact O-N 3.04Å |
| 132 | A | 89.4 | Confident | 87.5 | Confident | 51 Ų | 51 | 90.4 Ų | 90.4 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N128 A129 I130 K136 | N128-A132 VanDerWaalsContact O-CB 3.31Å; N128-A132 WeakPolarHBondContact O-CB 3.21Å; N128-A132 PolarHBondContact O-N 3.21Å; A129-A132 PolarHBondContact O-N 3.46Å; A129-A132 VanDerWaalsContact O-N 3.17Å; I130-A132 VanDerWaalsContact C-N 3.32Å; I130-A132 PolarHBondContact O-N 3.18Å; A132-K136 WeakPolarHBondContact O-CG 3.49Å; A132-K136 PolarHBondContact O-N 2.88Å |
| 133 | E | 87.1 | Confident | 87.9 | Confident | 122 Ų | 122 | 91.3 Ų | 91.3 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.4 | -47.2 | 174.8 | -167.9 | -172.5 | 173.6 | 0 | 0 | 111.4 | A129 I130 A135 K136 T137 | A129-E133 WeakPolarHBondContact O-CB 3.44Å; A129-E133 PolarHBondContact O-N 3.38Å; I130-E133 PolarHBondContact O-N 2.83Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 2.9Å; E133-K136 WeakPolarHBondContact O-CB 3.45Å; E133-K136 PolarHBondContact O-N 2.97Å; E133-T137 WeakPolarHBondContact O-CG2 3.48Å; E133-T137 PolarHBondContact O-N 3.3Å; E133-T137 PolarHBondContact O-OG1 3.19Å |
| 134 | N | 86.3 | Confident | 88.3 | Confident | 79 Ų | 79 | 88.5 Ų | 88.5 | 42% | 0.422 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.9 | -44 | 174.8 | -71.5 | -13.4 | 0 | 0 | 0 | 111.3 | I130 K136 T137 E138 | I130-N134 VanDerWaalsContact O-CB 3.29Å; I130-N134 WeakPolarHBondContact O-CB 3.46Å; I130-N134 PolarHBondContact O-N 3.41Å; I130-N134 PolarHBondContact O-ND2 3.43Å; N134-K136 VanDerWaalsContact C-N 3.3Å; N134-K136 PolarHBondContact O-N 3.3Å; N134-T137 WeakPolarHBondContact CA-OG1 3.3Å; N134-T137 PolarHBondContact O-N 2.9Å; N134-T137 PolarHBondContact O-OG1 2.8Å; N134-E138 WeakPolarHBondContact O-CB 3.23Å; N134-E138 VanDerWaalsContact O-CG 3.32Å; N134-E138 WeakPolarHBondContact O-CG 3.27Å; N134-E138 PolarHBondContact O-N 3.27Å |
| 135 | A | 88.1 | Confident | 88.7 | Confident | 38 Ų | 38 | 88 Ų | 88 | 31% | 0.314 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.3 | -32.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K131 E133 K139 | K131-A135 VanDerWaalsContact O-CB 3.27Å; K131-A135 WeakPolarHBondContact O-CB 3.47Å; K131-A135 PolarHBondContact O-N 3.04Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 2.9Å; A135-K139 WeakPolarHBondContact O-CB 3.38Å; A135-K139 WeakPolarHBondContact O-CD 3.49Å; A135-K139 WeakPolarHBondContact O-CG 3.44Å; A135-K139 PolarHBondContact O-N 2.81Å |
| 136 | K | 88.5 | Confident | 88.9 | Confident | 138 Ų | 138 | 85.8 Ų | 85.8 | 60% | 0.6 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.1 | -48.6 | 174.2 | -74.5 | 173.7 | -177.5 | -179.1 | 0 | 111 | A132 E133 N134 E138 K139 E140 | A132-K136 WeakPolarHBondContact O-CG 3.49Å; A132-K136 PolarHBondContact O-N 2.88Å; E133-K136 WeakPolarHBondContact O-CB 3.45Å; E133-K136 PolarHBondContact O-N 2.97Å; N134-K136 VanDerWaalsContact C-N 3.3Å; N134-K136 PolarHBondContact O-N 3.3Å; K136-E138 VanDerWaalsContact C-N 3.33Å; K136-E138 PolarHBondContact O-N 3.37Å; K136-K139 PolarHBondContact O-N 2.67Å; K136-E140 WeakPolarHBondContact O-CG 3.31Å; K136-E140 PolarHBondContact O-N 3Å |
| 137 | T | 87.2 | Confident | 88.9 | Confident | 51 Ų | 51 | 84.4 Ų | 84.4 | 31% | 0.313 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 112 | E133 N134 E140 K141 | E133-T137 WeakPolarHBondContact O-CG2 3.48Å; E133-T137 PolarHBondContact O-N 3.3Å; E133-T137 PolarHBondContact O-OG1 3.19Å; N134-T137 WeakPolarHBondContact CA-OG1 3.3Å; N134-T137 PolarHBondContact O-N 2.9Å; N134-T137 PolarHBondContact O-OG1 2.8Å; T137-E140 PolarHBondContact O-N 3.27Å; T137-K141 WeakPolarHBondContact O-CG 3.32Å; T137-K141 PolarHBondContact O-N 2.85Å |
| 138 | E | 86.9 | Confident | 89.2 | Confident | 123 Ų | 123 | 82.5 Ų | 82.5 | 58% | 0.575 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.4 | -46.7 | 172.3 | -77 | 178.5 | 179 | 0 | 0 | 112.1 | N134 K136 E140 K141 V142 | N134-E138 WeakPolarHBondContact O-CB 3.23Å; N134-E138 VanDerWaalsContact O-CG 3.32Å; N134-E138 WeakPolarHBondContact O-CG 3.27Å; N134-E138 PolarHBondContact O-N 3.27Å; K136-E138 VanDerWaalsContact C-N 3.33Å; K136-E138 PolarHBondContact O-N 3.37Å; E138-E140 VanDerWaalsContact C-N 3.27Å; E138-E140 PolarHBondContact O-N 3.3Å; E138-K141 WeakPolarHBondContact O-CB 3.18Å; E138-K141 PolarHBondContact O-N 3.39Å; E138-V142 WeakPolarHBondContact O-CG2 3.29Å; E138-V142 PolarHBondContact O-N 2.88Å |
| 139 | K | 89.6 | Confident | 89.2 | Confident | 142 Ų | 142 | 79.3 Ų | 79.3 | 62% | 0.617 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.9 | -39 | 175.8 | -76.9 | 172.9 | -176.7 | 178.6 | 0 | 111.9 | A135 K136 K143 | A135-K139 WeakPolarHBondContact O-CB 3.38Å; A135-K139 WeakPolarHBondContact O-CD 3.49Å; A135-K139 WeakPolarHBondContact O-CG 3.44Å; A135-K139 PolarHBondContact O-N 2.81Å; K136-K139 PolarHBondContact O-N 2.67Å; K139-K143 WeakPolarHBondContact O-CB 3.38Å; K139-K143 VanDerWaalsContact O-CG 3.27Å; K139-K143 WeakPolarHBondContact O-CG 3.44Å; K139-K143 PolarHBondContact O-N 2.93Å |
| 140 | E | 89 | Confident | 89.2 | Confident | 101 Ų | 101 | 80 Ų | 80 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 175.4 | -74.2 | 174.5 | -175.3 | 0 | 0 | 112 | K136 T137 E138 V142 K143 A144 A162 | K136-E140 WeakPolarHBondContact O-CG 3.31Å; K136-E140 PolarHBondContact O-N 3Å; T137-E140 PolarHBondContact O-N 3.27Å; E138-E140 VanDerWaalsContact C-N 3.27Å; E138-E140 PolarHBondContact O-N 3.3Å; E140-V142 PolarHBondContact O-N 3.07Å; E140-K143 PolarHBondContact O-N 3.17Å; E140-A144 WeakPolarHBondContact O-CB 3.32Å; E140-A144 PolarHBondContact O-N 3.47Å; E140-A162 HydrophobicContact CB-CB 4.44Å |
| 141 | K | 89.7 | Confident | 89.1 | Confident | 95 Ų | 95 | 77.7 Ų | 77.7 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 174.1 | -76.2 | 174.4 | -179.1 | 178.2 | 0 | 111.8 | T137 E138 K143 A144 Y145 M165 | T137-K141 WeakPolarHBondContact O-CG 3.32Å; T137-K141 PolarHBondContact O-N 2.85Å; E138-K141 WeakPolarHBondContact O-CB 3.18Å; E138-K141 PolarHBondContact O-N 3.39Å; K141-K143 PolarHBondContact O-N 3.42Å; K141-A144 PolarHBondContact O-N 3.33Å; K141-Y145 WeakPolarHBondContact O-CB 3.32Å; K141-Y145 PolarHBondContact O-N 3.32Å; K141-M165 HydrophobicContact CB-CE 3.82Å; K141-M165 HydrophobicContact CG-CE 3.98Å; K141-M165 VanDerWaalsContact O-CE 3.29Å; K141-M165 WeakPolarHBondContact O-CE 3.39Å |
| 142 | V | 90.4 | Very high | 89 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | E138 E140 Y145 N146 | E138-V142 WeakPolarHBondContact O-CG2 3.29Å; E138-V142 PolarHBondContact O-N 2.88Å; E140-V142 PolarHBondContact O-N 3.07Å; V142-Y145 PolarHBondContact O-N 2.9Å; V142-N146 VanDerWaalsContact O-CG 3.29Å; V142-N146 PolarHBondContact O-N 3.37Å; V142-N146 PolarHBondContact O-ND2 2.88Å |
| 143 | K | 90.3 | Very high | 88.9 | Confident | 140 Ų | 140 | 72.2 Ų | 72.2 | 61% | 0.609 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 175.6 | -75.7 | 174.1 | -179.1 | -179.3 | 0 | 112.1 | K139 E140 K141 A147 | K139-K143 WeakPolarHBondContact O-CB 3.38Å; K139-K143 VanDerWaalsContact O-CG 3.27Å; K139-K143 WeakPolarHBondContact O-CG 3.44Å; K139-K143 PolarHBondContact O-N 2.93Å; E140-K143 PolarHBondContact O-N 3.17Å; K141-K143 PolarHBondContact O-N 3.42Å; K143-A147 WeakPolarHBondContact O-CB 3.47Å; K143-A147 PolarHBondContact O-N 2.89Å |
| 144 | A | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E140 K141 A147 A148 A162 M165 Y166 | E140-A144 WeakPolarHBondContact O-CB 3.32Å; E140-A144 PolarHBondContact O-N 3.47Å; K141-A144 PolarHBondContact O-N 3.33Å; A144-A147 PolarHBondContact O-N 2.94Å; A144-A148 VanDerWaalsContact O-CB 3.26Å; A144-A148 WeakPolarHBondContact O-CB 3.5Å; A144-A148 PolarHBondContact O-N 2.98Å; A144-A162 HydrophobicContact CB-CB 3.9Å; A144-M165 HydrophobicContact CB-CB 4.14Å; A144-M165 HydrophobicContact CB-CE 4.06Å; A144-Y166 WeakPolarHBondContact CA-OH 3.23Å; A144-Y166 HydrophobicContact CB-CD2 4.13Å; A144-Y166 HydrophobicContact CB-CE1 4.03Å; A144-Y166 HydrophobicContact CB-CE2 3.57Å |
| 145 | Y | 91.7 | Very high | 89.2 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.8 | -54.1 | 174.3 | -178.1 | -102 | 0 | 0 | 0 | 111.5 | K141 V142 A147 A148 C149 F155 P157 M165 | K141-Y145 WeakPolarHBondContact O-CB 3.32Å; K141-Y145 PolarHBondContact O-N 3.32Å; V142-Y145 PolarHBondContact O-N 2.9Å; Y145-A147 VanDerWaalsContact C-N 3.29Å; Y145-A147 PolarHBondContact O-N 2.82Å; Y145-A148 PolarHBondContact O-N 3.46Å; Y145-C149 WeakPolarHBondContact CE1-SG 3.3Å; Y145-C149 VanDerWaalsContact CE2-SG 3.51Å; Y145-C149 WeakPolarHBondContact O-CB 3.24Å; Y145-C149 PolarHBondContact O-N 3.35Å; Y145-C149 PolarHBondContact O-SG 3.05Å; Y145-C149 VanDerWaalsContact O-SG 3.39Å; Y145-F155 HydrophobicContact CD2-CD1 4.41Å; Y145-F155 AromaticContact CD2-CE1 3.72Å; Y145-F155 HydrophobicContact CD2-CE1 3.72Å; Y145-F155 HydrophobicContact CD2-CE2 4.1Å; Y145-F155 AromaticContact CD2-CZ 3.56Å; Y145-F155 HydrophobicContact CD2-CZ 3.56Å; Y145-F155 HydrophobicContact CE2-CD1 4.06Å; Y145-F155 AromaticContact CE2-CE1 3.82Å; Y145-F155 HydrophobicContact CE2-CE1 3.82Å; Y145-F155 HydrophobicContact CE2-CE2 4.33Å; Y145-F155 HydrophobicContact CE2-CG 4.41Å; Y145-F155 AromaticContact CE2-CZ 3.98Å; Y145-F155 HydrophobicContact CE2-CZ 3.98Å; Y145-F155 VanDerWaalsContact CE2-O 3.32Å; Y145-F155 WeakPolarHBondContact CE2-O 3.27Å; Y145-F155 PolarHBondContact OH-O 2.95Å; Y145-P157 HydrophobicContact CD2-CB 3.81Å; Y145-P157 HydrophobicContact CD2-CG 3.85Å; Y145-P157 HydrophobicContact CE2-CB 4.22Å; Y145-P157 HydrophobicContact CE2-CG 3.9Å; Y145-M165 HydrophobicContact CD2-SD 4.24Å |
| 146 | N | 91.1 | Very high | 89.3 | Confident | 101 Ų | 101 | 74.6 Ų | 74.6 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60 | -39 | -179.6 | -69.6 | -16.6 | 0 | 0 | 0 | 112.3 | V142 G150 | V142-N146 VanDerWaalsContact O-CG 3.29Å; V142-N146 PolarHBondContact O-N 3.37Å; V142-N146 PolarHBondContact O-ND2 2.88Å; N146-G150 PolarHBondContact O-N 2.91Å |
| 147 | A | 90.1 | Very high | 89.3 | Confident | 38 Ų | 38 | 70.4 Ų | 70.4 | 31% | 0.314 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K143 A144 Y145 G150 Y166 L190 | K143-A147 WeakPolarHBondContact O-CB 3.47Å; K143-A147 PolarHBondContact O-N 2.89Å; A144-A147 PolarHBondContact O-N 2.94Å; Y145-A147 VanDerWaalsContact C-N 3.29Å; Y145-A147 PolarHBondContact O-N 2.82Å; A147-G150 PolarHBondContact O-N 3.34Å; A147-Y166 HydrophobicContact CB-CE1 3.94Å; A147-L190 HydrophobicContact CB-CD2 3.96Å |
| 148 | A | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A144 Y145 G150 V151 I152 F155 A169 | A144-A148 VanDerWaalsContact O-CB 3.26Å; A144-A148 WeakPolarHBondContact O-CB 3.5Å; A144-A148 PolarHBondContact O-N 2.98Å; Y145-A148 PolarHBondContact O-N 3.46Å; A148-G150 PolarHBondContact O-N 3.31Å; A148-V151 PolarHBondContact O-N 3.13Å; A148-I152 PolarHBondContact O-N 3.48Å; A148-F155 HydrophobicContact CB-CE1 3.62Å; A148-F155 HydrophobicContact CB-CZ 3.86Å; A148-A169 HydrophobicContact CB-CB 3.82Å |
| 149 | C | 88.9 | Confident | 89.4 | Confident | 23 Ų | 23 | 74.3 Ų | 74.3 | 16% | 0.155 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60 | -33.2 | 175.3 | -79 | 0 | 0 | 0 | 0 | 112.7 | Y145 V151 G153 | Y145-C149 WeakPolarHBondContact CE1-SG 3.3Å; Y145-C149 VanDerWaalsContact CE2-SG 3.51Å; Y145-C149 WeakPolarHBondContact O-CB 3.24Å; Y145-C149 PolarHBondContact O-N 3.35Å; Y145-C149 PolarHBondContact O-SG 3.05Å; Y145-C149 VanDerWaalsContact O-SG 3.39Å; C149-V151 PolarHBondContact O-N 2.82Å; C149-V151 VanDerWaalsContact O-N 3.09Å; C149-G153 WeakPolarHBondContact CA-O 3.5Å; C149-G153 VanDerWaalsContact O-CA 3.31Å; C149-G153 WeakPolarHBondContact O-CA 3.26Å; C149-G153 PolarHBondContact O-N 3.15Å |
| 150 | G | 87.6 | Confident | 89.3 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 74% | 0.742 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.9 | -14.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N146 A147 A148 | N146-G150 PolarHBondContact O-N 2.91Å; A147-G150 PolarHBondContact O-N 3.34Å; A148-G150 PolarHBondContact O-N 3.31Å |
| 151 | V | 87.2 | Confident | 89.4 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -115.3 | -49.5 | -178.2 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | A148 C149 L173 L190 | A148-V151 PolarHBondContact O-N 3.13Å; C149-V151 PolarHBondContact O-N 2.82Å; C149-V151 VanDerWaalsContact O-N 3.09Å; V151-L173 HydrophobicContact CG1-CD1 3.81Å; V151-L173 HydrophobicContact CG1-CD2 3.62Å; V151-L173 HydrophobicContact CG1-CG 3.58Å; V151-L173 HydrophobicContact CG2-CD1 4.42Å; V151-L190 HydrophobicContact CB-CD1 4.49Å; V151-L190 HydrophobicContact CG2-CD1 3.89Å; V151-L190 HydrophobicContact CG2-CG 4.5Å |
| 152 | I | 88.1 | Confident | 89.4 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 23% | 0.226 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -88.3 | -23.5 | -175 | -53.4 | 166.8 | 0 | 0 | 0 | 111.8 | A148 K168 A169 H172 | A148-I152 PolarHBondContact O-N 3.48Å; I152-K168 HydrophobicContact CD1-CB 4.26Å; I152-K168 HydrophobicContact CD1-CD 4.38Å; I152-K168 HydrophobicContact CD1-CG 3.95Å; I152-A169 HydrophobicContact CD1-CB 3.8Å; I152-A169 HydrophobicContact CG1-CB 4.2Å; I152-H172 HydrophobicContact CD1-CB 4.46Å; I152-H172 HydrophobicContact CG1-CB 3.86Å |
| 153 | G | 86.7 | Confident | 89.4 | Confident | 31 Ų | 31 | 63.5 Ų | 63.5 | 32% | 0.32 | 37% | 0.373 | S | S | . | . | trans | 85.2 | -169.1 | -161.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C149 F155 | C149-G153 WeakPolarHBondContact CA-O 3.5Å; C149-G153 VanDerWaalsContact O-CA 3.31Å; C149-G153 WeakPolarHBondContact O-CA 3.26Å; C149-G153 PolarHBondContact O-N 3.15Å; G153-F155 PolarHBondContact O-N 3.02Å | ||
| 154 | D | 89.2 | Confident | 89.5 | Confident | 150 Ų | 150 | 60 Ų | 60 | 80% | 0.802 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -65 | 133 | -176.8 | -67.8 | -27.4 | 0 | 0 | 0 | 112 | ||
| 155 | F | 90.4 | Very high | 89.4 | Confident | 23 Ų | 23 | 60 Ų | 60 | 10% | 0.101 | 36% | 0.361 | C | S | . | . | trans | -142.6 | 162.8 | 175.6 | 69.8 | -83.6 | 0 | 0 | 0 | 110.6 | Y145 A148 G153 P157 M160 M165 K168 | Y145-F155 HydrophobicContact CD2-CD1 4.41Å; Y145-F155 AromaticContact CD2-CE1 3.72Å; Y145-F155 HydrophobicContact CD2-CE1 3.72Å; Y145-F155 HydrophobicContact CD2-CE2 4.1Å; Y145-F155 AromaticContact CD2-CZ 3.56Å; Y145-F155 HydrophobicContact CD2-CZ 3.56Å; Y145-F155 HydrophobicContact CE2-CD1 4.06Å; Y145-F155 AromaticContact CE2-CE1 3.82Å; Y145-F155 HydrophobicContact CE2-CE1 3.82Å; Y145-F155 HydrophobicContact CE2-CE2 4.33Å; Y145-F155 HydrophobicContact CE2-CG 4.41Å; Y145-F155 AromaticContact CE2-CZ 3.98Å; Y145-F155 HydrophobicContact CE2-CZ 3.98Å; Y145-F155 VanDerWaalsContact CE2-O 3.32Å; Y145-F155 WeakPolarHBondContact CE2-O 3.27Å; Y145-F155 PolarHBondContact OH-O 2.95Å; A148-F155 HydrophobicContact CB-CE1 3.62Å; A148-F155 HydrophobicContact CB-CZ 3.86Å; G153-F155 PolarHBondContact O-N 3.02Å; F155-P157 HydrophobicContact CE2-CB 4.17Å; F155-P157 VanDerWaalsContact O-CD 3.24Å; F155-P157 WeakPolarHBondContact O-CD 3.24Å; F155-M160 HydrophobicContact CD2-SD 4.36Å; F155-M160 HydrophobicContact CE2-SD 4.18Å; F155-M165 HydrophobicContact CE2-CG 3.84Å; F155-M165 HydrophobicContact CE2-SD 4.1Å; F155-M165 HydrophobicContact CZ-CB 4.13Å; F155-M165 HydrophobicContact CZ-CG 3.83Å; F155-M165 HydrophobicContact CZ-SD 3.89Å; F155-K168 HydrophobicContact CD2-CD 4.41Å | ||
| 156 | N | 90.3 | Very high | 89.5 | Confident | 117 Ų | 117 | 58.3 Ų | 58.3 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | trans | -82.7 | 115.7 | 175.1 | -175.5 | 5.2 | 0 | 0 | 0 | 110.4 | F158 | N156-F158 VanDerWaalsContact C-N 3.33Å; N156-F158 WeakPolarHBondContact OD1-CB 3.31Å; N156-F158 PolarHBondContact OD1-N 2.99Å | ||
| 157 | P | 88.2 | Confident | 89.5 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | trans | -86.5 | 0.7 | 177.4 | 35.8 | -35 | 0 | 0 | 0 | 113.5 | Y145 F155 G159 M160 M165 | Y145-P157 HydrophobicContact CD2-CB 3.81Å; Y145-P157 HydrophobicContact CD2-CG 3.85Å; Y145-P157 HydrophobicContact CE2-CB 4.22Å; Y145-P157 HydrophobicContact CE2-CG 3.9Å; F155-P157 HydrophobicContact CE2-CB 4.17Å; F155-P157 VanDerWaalsContact O-CD 3.24Å; F155-P157 WeakPolarHBondContact O-CD 3.24Å; P157-G159 PolarHBondContact O-N 3.3Å; P157-M160 WeakPolarHBondContact O-CB 3.31Å; P157-M160 PolarHBondContact O-N 3.46Å; P157-M165 HydrophobicContact CB-SD 3.78Å | ||
| 158 | F | 88.2 | Confident | 89.5 | Confident | 180 Ų | 180 | 57.4 Ų | 57.4 | 79% | 0.789 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 128.7 | -177.4 | -173.1 | -98.8 | 0 | 0 | 0 | 111.5 | N156 M160 | N156-F158 VanDerWaalsContact C-N 3.33Å; N156-F158 WeakPolarHBondContact OD1-CB 3.31Å; N156-F158 PolarHBondContact OD1-N 2.99Å; F158-M160 PolarHBondContact O-N 3.36Å |
| 159 | G | 88.6 | Confident | 89.6 | Confident | 76 Ų | 76 | 57.4 Ų | 57.4 | 78% | 0.784 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -2.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P157 | P157-G159 PolarHBondContact O-N 3.3Š|
| 160 | M | 87.9 | Confident | 89.7 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | trans | -90.8 | 138.2 | 179.4 | -54.5 | -165.4 | 89.4 | 0 | 0 | 111.2 | F155 P157 F158 D164 M165 K168 | F155-M160 HydrophobicContact CD2-SD 4.36Å; F155-M160 HydrophobicContact CE2-SD 4.18Å; P157-M160 WeakPolarHBondContact O-CB 3.31Å; P157-M160 PolarHBondContact O-N 3.46Å; F158-M160 PolarHBondContact O-N 3.36Å; M160-D164 HydrophobicContact CB-CB 4.2Å; M160-D164 HydrophobicContact CE-CB 3.99Å; M160-M165 HydrophobicContact CB-CG 4.09Å; M160-K168 HydrophobicContact CE-CD 4.07Å; M160-K168 HydrophobicContact SD-CD 4.39Å | ||
| 161 | T | 91.1 | Very high | 89.8 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | trans | -78.8 | 165.5 | 168.6 | 69.9 | 0 | 0 | 0 | 0 | 110.7 | K163 D164 M165 | T161-K163 PolarHBondContact O-N 2.95Å; T161-D164 WeakPolarHBondContact CB-OD2 3.5Å; T161-D164 PolarHBondContact N-OD2 3.14Å; T161-D164 PolarHBondContact O-N 3.3Å; T161-D164 VanDerWaalsContact O-N 3.15Å; T161-D164 PolarHBondContact OG1-N 2.72Å; T161-D164 PolarHBondContact OG1-OD2 3Å; T161-M165 PolarHBondContact O-N 2.97Å; T161-M165 VanDerWaalsContact O-N 3.13Å | ||
| 162 | A | 89.2 | Confident | 89.8 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 12% | 0.116 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.7 | -36.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | E140 A144 M165 Y166 | E140-A162 HydrophobicContact CB-CB 4.44Å; A144-A162 HydrophobicContact CB-CB 3.9Å; A162-M165 PolarHBondContact O-N 3.37Å; A162-Y166 WeakPolarHBondContact O-CD2 3.29Å; A162-Y166 PolarHBondContact O-N 2.86Å |
| 163 | K | 91.6 | Very high | 89.7 | Confident | 66 Ų | 66 | 62 Ų | 62 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 175.1 | -174.9 | 173.1 | 177.9 | 166.9 | 0 | 111.3 | T161 M165 Y166 V167 G179 E181 L186 | T161-K163 PolarHBondContact O-N 2.95Å; K163-M165 VanDerWaalsContact C-N 3.28Å; K163-M165 PolarHBondContact O-N 3.35Å; K163-Y166 PolarHBondContact O-N 2.81Å; K163-Y166 VanDerWaalsContact O-N 3.14Å; K163-V167 HydrophobicContact CG-CG2 4.28Å; K163-V167 VanDerWaalsContact O-CG2 3.3Å; K163-V167 WeakPolarHBondContact O-CG2 3.36Å; K163-V167 PolarHBondContact O-N 2.89Å; K163-G179 PolarHBondContact NZ-O 3.44Å; K163-E181 WeakPolarHBondContact CE-O 3.26Å; K163-E181 PolarHBondContact NZ-O 3.44Å; K163-E181 VanDerWaalsContact NZ-O 3.17Å; K163-L186 HydrophobicContact CD-CD1 4.46Å; K163-L186 HydrophobicContact CG-CD1 3.64Å |
| 164 | D | 90.9 | Very high | 89.7 | Confident | 65 Ų | 65 | 63.5 Ų | 63.5 | 35% | 0.348 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | -177.9 | -55 | -39.5 | 0 | 0 | 0 | 112.2 | M160 T161 V167 K168 | M160-D164 HydrophobicContact CB-CB 4.2Å; M160-D164 HydrophobicContact CE-CB 3.99Å; T161-D164 WeakPolarHBondContact CB-OD2 3.5Å; T161-D164 PolarHBondContact N-OD2 3.14Å; T161-D164 PolarHBondContact O-N 3.3Å; T161-D164 VanDerWaalsContact O-N 3.15Å; T161-D164 PolarHBondContact OG1-N 2.72Å; T161-D164 PolarHBondContact OG1-OD2 3Å; D164-V167 PolarHBondContact O-N 2.86Å; D164-K168 VanDerWaalsContact O-CB 3.32Å; D164-K168 WeakPolarHBondContact O-CB 3.36Å; D164-K168 PolarHBondContact O-N 2.85Å |
| 165 | M | 91.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.2 | -68.7 | -169.2 | -91.5 | 0 | 0 | 111.9 | K141 A144 Y145 F155 P157 M160 T161 A162 K163 A169 | K141-M165 HydrophobicContact CB-CE 3.82Å; K141-M165 HydrophobicContact CG-CE 3.98Å; K141-M165 VanDerWaalsContact O-CE 3.29Å; K141-M165 WeakPolarHBondContact O-CE 3.39Å; A144-M165 HydrophobicContact CB-CB 4.14Å; A144-M165 HydrophobicContact CB-CE 4.06Å; Y145-M165 HydrophobicContact CD2-SD 4.24Å; F155-M165 HydrophobicContact CE2-CG 3.84Å; F155-M165 HydrophobicContact CE2-SD 4.1Å; F155-M165 HydrophobicContact CZ-CB 4.13Å; F155-M165 HydrophobicContact CZ-CG 3.83Å; F155-M165 HydrophobicContact CZ-SD 3.89Å; P157-M165 HydrophobicContact CB-SD 3.78Å; M160-M165 HydrophobicContact CB-CG 4.09Å; T161-M165 PolarHBondContact O-N 2.97Å; T161-M165 VanDerWaalsContact O-N 3.13Å; A162-M165 PolarHBondContact O-N 3.37Å; K163-M165 VanDerWaalsContact C-N 3.28Å; K163-M165 PolarHBondContact O-N 3.35Å; M165-A169 PolarHBondContact O-N 3.16Å; M165-A169 VanDerWaalsContact O-N 3.16Å |
| 166 | Y | 92.7 | Very high | 89.2 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 9% | 0.09 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 175.8 | -67.8 | -58.4 | 0 | 0 | 0 | 112.8 | A144 A147 A162 K163 K168 A169 L170 L186 L190 | A144-Y166 WeakPolarHBondContact CA-OH 3.23Å; A144-Y166 HydrophobicContact CB-CD2 4.13Å; A144-Y166 HydrophobicContact CB-CE1 4.03Å; A144-Y166 HydrophobicContact CB-CE2 3.57Å; A147-Y166 HydrophobicContact CB-CE1 3.94Å; A162-Y166 WeakPolarHBondContact O-CD2 3.29Å; A162-Y166 PolarHBondContact O-N 2.86Å; K163-Y166 PolarHBondContact O-N 2.81Å; K163-Y166 VanDerWaalsContact O-N 3.14Å; Y166-K168 VanDerWaalsContact C-N 3.3Å; Y166-K168 PolarHBondContact O-N 3.47Å; Y166-A169 PolarHBondContact O-N 3.38Å; Y166-A169 VanDerWaalsContact O-N 3.16Å; Y166-L170 WeakPolarHBondContact O-CG 3.33Å; Y166-L170 PolarHBondContact O-N 3.34Å; Y166-L186 HydrophobicContact CD2-CB 4.31Å; Y166-L186 HydrophobicContact CG-CB 4.14Å; Y166-L190 HydrophobicContact CD1-CD2 3.79Å; Y166-L190 HydrophobicContact CE1-CD2 4.22Å |
| 167 | V | 91.9 | Very high | 88.9 | Confident | 35 Ų | 35 | 61.9 Ų | 61.9 | 21% | 0.212 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 176.4 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | K163 D164 A169 L170 N171 L177 L186 | K163-V167 HydrophobicContact CG-CG2 4.28Å; K163-V167 VanDerWaalsContact O-CG2 3.3Å; K163-V167 WeakPolarHBondContact O-CG2 3.36Å; K163-V167 PolarHBondContact O-N 2.89Å; D164-V167 PolarHBondContact O-N 2.86Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 3.44Å; V167-L170 PolarHBondContact O-N 3.44Å; V167-N171 WeakPolarHBondContact O-CB 3.38Å; V167-N171 PolarHBondContact O-N 3.47Å; V167-N171 PolarHBondContact O-ND2 2.77Å; V167-L177 HydrophobicContact CB-CD1 4.07Å; V167-L177 HydrophobicContact CG1-CD1 3.99Å; V167-L177 HydrophobicContact CG2-CD1 3.93Å; V167-L186 HydrophobicContact CG2-CD1 3.99Å; V167-L186 HydrophobicContact CG2-CD2 4.44Å |
| 168 | K | 89.9 | Confident | 88.5 | Confident | 84 Ų | 84 | 66.2 Ų | 66.2 | 37% | 0.365 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 177 | -165.7 | -178.9 | -174.5 | 176.1 | 0 | 111.9 | I152 F155 M160 D164 Y166 H172 | I152-K168 HydrophobicContact CD1-CB 4.26Å; I152-K168 HydrophobicContact CD1-CD 4.38Å; I152-K168 HydrophobicContact CD1-CG 3.95Å; F155-K168 HydrophobicContact CD2-CD 4.41Å; M160-K168 HydrophobicContact CE-CD 4.07Å; M160-K168 HydrophobicContact SD-CD 4.39Å; D164-K168 VanDerWaalsContact O-CB 3.32Å; D164-K168 WeakPolarHBondContact O-CB 3.36Å; D164-K168 PolarHBondContact O-N 2.85Å; Y166-K168 VanDerWaalsContact C-N 3.3Å; Y166-K168 PolarHBondContact O-N 3.47Å; K168-H172 PolarHBondContact O-N 3.24Å; K168-H172 VanDerWaalsContact O-N 3.1Å |
| 169 | A | 90.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A148 I152 M165 Y166 V167 H172 L173 L190 | A148-A169 HydrophobicContact CB-CB 3.82Å; I152-A169 HydrophobicContact CD1-CB 3.8Å; I152-A169 HydrophobicContact CG1-CB 4.2Å; M165-A169 PolarHBondContact O-N 3.16Å; M165-A169 VanDerWaalsContact O-N 3.16Å; Y166-A169 PolarHBondContact O-N 3.38Å; Y166-A169 VanDerWaalsContact O-N 3.16Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 3.44Å; A169-H172 WeakPolarHBondContact O-CB 3.17Å; A169-H172 PolarHBondContact O-N 2.94Å; A169-L173 PolarHBondContact O-N 2.92Å; A169-L190 HydrophobicContact CB-CD1 3.58Å; A169-L190 HydrophobicContact CB-CD2 3.87Å; A169-L190 HydrophobicContact CB-CG 4.4Å |
| 170 | L | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 177.5 | -75.4 | 167.1 | 0 | 0 | 0 | 112.4 | Y166 V167 H172 L173 G174 V175 L177 L186 M189 L190 | Y166-L170 WeakPolarHBondContact O-CG 3.33Å; Y166-L170 PolarHBondContact O-N 3.34Å; V167-L170 PolarHBondContact O-N 3.44Å; L170-H172 VanDerWaalsContact C-N 3.26Å; L170-H172 PolarHBondContact O-N 3.3Å; L170-L173 CarbonylContact O-C 3.5Å; L170-L173 WeakPolarHBondContact O-CA 3.28Å; L170-L173 WeakPolarHBondContact O-CB 3.34Å; L170-L173 PolarHBondContact O-N 3.38Å; L170-G174 PolarHBondContact O-N 3.09Å; L170-V175 HydrophobicContact CB-CB 4.3Å; L170-V175 HydrophobicContact CD2-CB 4.36Å; L170-V175 HydrophobicContact CD2-CG2 4.26Å; L170-V175 PolarHBondContact O-N 2.9Å; L170-L177 HydrophobicContact CB-CD1 3.81Å; L170-L177 HydrophobicContact CB-CG 4.46Å; L170-L177 HydrophobicContact CD1-CD1 3.95Å; L170-L177 HydrophobicContact CD1-CD2 4.09Å; L170-L186 HydrophobicContact CD1-CB 4.23Å; L170-L186 HydrophobicContact CD1-CD2 3.62Å; L170-M189 HydrophobicContact CD1-CB 4.11Å; L170-M189 HydrophobicContact CD2-CB 4.02Å; L170-L190 HydrophobicContact CD2-CB 4.25Å; L170-L190 HydrophobicContact CD2-CD1 4.26Å; L170-L190 HydrophobicContact CG-CB 4.4Å; L170-L190 HydrophobicContact CG-CD1 4.33Å |
| 171 | N | 90.1 | Very high | 87.7 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.6 | -38 | 172.5 | -72 | -14.4 | 0 | 0 | 0 | 111.4 | V167 L173 G174 | V167-N171 WeakPolarHBondContact O-CB 3.38Å; V167-N171 PolarHBondContact O-N 3.47Å; V167-N171 PolarHBondContact O-ND2 2.77Å; N171-L173 PolarHBondContact O-N 3.49Å; N171-G174 PolarHBondContact O-N 2.93Å |
| 172 | H | 87.7 | Confident | 87.5 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 56% | 0.56 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.3 | -28.5 | 174.4 | -171.2 | -80.3 | 0 | 0 | 0 | 112.7 | I152 K168 A169 L170 G174 | I152-H172 HydrophobicContact CD1-CB 4.46Å; I152-H172 HydrophobicContact CG1-CB 3.86Å; K168-H172 PolarHBondContact O-N 3.24Å; K168-H172 VanDerWaalsContact O-N 3.1Å; A169-H172 WeakPolarHBondContact O-CB 3.17Å; A169-H172 PolarHBondContact O-N 2.94Å; L170-H172 VanDerWaalsContact C-N 3.26Å; L170-H172 PolarHBondContact O-N 3.3Å; H172-G174 VanDerWaalsContact C-N 3.27Å |
| 173 | L | 86.9 | Confident | 87.4 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 29% | 0.293 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.3 | 173 | -67.8 | 170.8 | 0 | 0 | 0 | 113.3 | V151 A169 L170 N171 V175 L190 C193 | V151-L173 HydrophobicContact CG1-CD1 3.81Å; V151-L173 HydrophobicContact CG1-CD2 3.62Å; V151-L173 HydrophobicContact CG1-CG 3.58Å; V151-L173 HydrophobicContact CG2-CD1 4.42Å; A169-L173 PolarHBondContact O-N 2.92Å; L170-L173 CarbonylContact O-C 3.5Å; L170-L173 WeakPolarHBondContact O-CA 3.28Å; L170-L173 WeakPolarHBondContact O-CB 3.34Å; L170-L173 PolarHBondContact O-N 3.38Å; N171-L173 PolarHBondContact O-N 3.49Å; L173-V175 HydrophobicContact CB-CG2 4.36Å; L173-L190 HydrophobicContact CD1-CD1 3.79Å; L173-C193 HydrophobicContact CD1-CB 3.59Å |
| 174 | G | 86.4 | Confident | 87.2 | Confident | 64 Ų | 64 | 65.8 Ų | 65.8 | 66% | 0.66 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 21.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L170 N171 H172 | L170-G174 PolarHBondContact O-N 3.09Å; N171-G174 PolarHBondContact O-N 2.93Å; H172-G174 VanDerWaalsContact C-N 3.27Å |
| 175 | V | 86.5 | Confident | 87.2 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 22% | 0.218 | 38% | 0.377 | C | S | . | . | trans | -88.6 | 119.5 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | L170 L173 L177 M189 | L170-V175 HydrophobicContact CB-CB 4.3Å; L170-V175 HydrophobicContact CD2-CB 4.36Å; L170-V175 HydrophobicContact CD2-CG2 4.26Å; L170-V175 PolarHBondContact O-N 2.9Å; L173-V175 HydrophobicContact CB-CG2 4.36Å; V175-L177 HydrophobicContact CG1-CD2 4.29Å; V175-M189 HydrophobicContact CG1-CE 3.86Å | ||
| 176 | E | 83.3 | Confident | 87.2 | Confident | 185 Ų | 185 | 67.6 Ų | 67.6 | 86% | 0.864 | 38% | 0.376 | S | S | * | . | trans | -74.3 | 129.1 | 174 | -64.8 | -178.1 | 173.6 | 0 | 0 | 110.5 | ||||
| 177 | L | 83.8 | Confident | 87.1 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 18% | 0.183 | 38% | 0.381 | C | S | . | . | trans | -115.9 | 140.1 | -178.4 | -64.4 | 172.4 | 0 | 0 | 0 | 110.6 | V167 L170 V175 L186 M189 | V167-L177 HydrophobicContact CB-CD1 4.07Å; V167-L177 HydrophobicContact CG1-CD1 3.99Å; V167-L177 HydrophobicContact CG2-CD1 3.93Å; L170-L177 HydrophobicContact CB-CD1 3.81Å; L170-L177 HydrophobicContact CB-CG 4.46Å; L170-L177 HydrophobicContact CD1-CD1 3.95Å; L170-L177 HydrophobicContact CD1-CD2 4.09Å; V175-L177 HydrophobicContact CG1-CD2 4.29Å; L177-L186 HydrophobicContact CD1-CD2 3.81Å; L177-L186 HydrophobicContact CD2-CD2 3.77Å; L177-L186 HydrophobicContact CG-CD2 4.42Å; L177-M189 HydrophobicContact CD2-CE 3.84Å; L177-M189 HydrophobicContact CD2-SD 4.36Å | ||
| 178 | N | 78.9 | Confident | 87 | Confident | 139 Ų | 139 | 68.8 Ų | 68.8 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | trans | -92 | -1.3 | -178.2 | -67.4 | -52.7 | 0 | 0 | 0 | 112.9 | K180 E181 | N178-K180 PolarHBondContact O-N 2.85Å; N178-E181 PolarHBondContact N-OE1 3.33Å | ||
| 179 | G | 79.2 | Confident | 87 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 46% | 0.464 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 77.5 | -5.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K163 E181 | K163-G179 PolarHBondContact NZ-O 3.44Å; G179-E181 WeakPolarHBondContact CA-OE2 3.48Å; G179-E181 PolarHBondContact N-OE2 3.29Å |
| 180 | K | 83.7 | Confident | 87 | Confident | 194 Ų | 194 | 68 Ų | 68 | 84% | 0.843 | 39% | 0.391 | S | S | * | . | trans | -88 | -11.4 | 179.3 | -63.7 | -176.4 | -179.2 | -178 | 0 | 113 | N178 | N178-K180 PolarHBondContact O-N 2.85Š| ||
| 181 | E | 84.8 | Confident | 86.9 | Confident | 28 Ų | 28 | 74.8 Ų | 74.8 | 13% | 0.131 | 42% | 0.421 | C | S | . | . | trans | -68.6 | 139.3 | -175 | -54.9 | 81.7 | -179.4 | 0 | 0 | 110.8 | K163 N178 G179 E185 L186 | K163-E181 WeakPolarHBondContact CE-O 3.26Å; K163-E181 PolarHBondContact NZ-O 3.44Å; K163-E181 VanDerWaalsContact NZ-O 3.17Å; N178-E181 PolarHBondContact N-OE1 3.33Å; G179-E181 WeakPolarHBondContact CA-OE2 3.48Å; G179-E181 PolarHBondContact N-OE2 3.29Å; E181-E185 WeakPolarHBondContact CA-OE2 3.33Å; E181-E185 HydrophobicContact CB-CB 4.47Å; E181-L186 HydrophobicContact CB-CD1 4.44Å; E181-L186 HydrophobicContact CB-CD2 3.75Å; E181-L186 HydrophobicContact CB-CG 3.8Å; E181-L186 HydrophobicContact CG-CD2 4.26Å | ||
| 182 | S | 87.7 | Confident | 86.8 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | trans | -74.4 | 157 | 173.4 | 67.8 | 0 | 0 | 0 | 0 | 111 | A184 E185 L186 | S182-A184 PolarHBondContact O-N 3.02Å; S182-E185 PolarHBondContact N-OE2 3.33Å; S182-E185 PolarHBondContact O-N 2.98Å; S182-E185 VanDerWaalsContact OG-CD 3.24Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.49Å; S182-E185 PolarHBondContact OG-N 3.46Å; S182-E185 PolarHBondContact OG-OE2 3.29Å; S182-L186 WeakPolarHBondContact O-CG 3.46Å; S182-L186 PolarHBondContact O-N 3.43Å | ||
| 183 | P | 85.9 | Confident | 86.6 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.9 | -33.6 | 176.9 | -24.1 | 33.3 | 0 | 0 | 0 | 113.4 | S187 | P183-S187 WeakPolarHBondContact O-CB 3.41Å; P183-S187 PolarHBondContact O-N 2.9Å |
| 184 | A | 89.1 | Confident | 86.3 | Confident | 68 Ų | 68 | 68 Ų | 68 | 56% | 0.562 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.6 | -46.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | S182 S187 A188 | S182-A184 PolarHBondContact O-N 3.02Å; A184-S187 PolarHBondContact O-N 2.7Å; A184-S187 PolarHBondContact O-OG 3.16Å; A184-A188 PolarHBondContact O-N 3.29Å |
| 185 | E | 90.4 | Very high | 86 | Confident | 104 Ų | 104 | 67.3 Ų | 67.3 | 49% | 0.486 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 176.4 | -72 | 163.6 | 159.6 | 0 | 0 | 111.2 | E181 S182 S187 A188 M189 | E181-E185 WeakPolarHBondContact CA-OE2 3.33Å; E181-E185 HydrophobicContact CB-CB 4.47Å; S182-E185 PolarHBondContact N-OE2 3.33Å; S182-E185 PolarHBondContact O-N 2.98Å; S182-E185 VanDerWaalsContact OG-CD 3.24Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.49Å; S182-E185 PolarHBondContact OG-N 3.46Å; S182-E185 PolarHBondContact OG-OE2 3.29Å; E185-S187 VanDerWaalsContact C-N 3.27Å; E185-S187 PolarHBondContact O-N 2.9Å; E185-A188 WeakPolarHBondContact O-CB 3.29Å; E185-A188 PolarHBondContact O-N 3.04Å; E185-M189 VanDerWaalsContact O-CG 3.3Å; E185-M189 WeakPolarHBondContact O-CG 3.46Å; E185-M189 PolarHBondContact O-N 2.72Å |
| 186 | L | 91.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 177.6 | -67.2 | 170 | 0 | 0 | 0 | 111.9 | K163 Y166 V167 L170 L177 E181 S182 A188 M189 L190 | K163-L186 HydrophobicContact CD-CD1 4.46Å; K163-L186 HydrophobicContact CG-CD1 3.64Å; Y166-L186 HydrophobicContact CD2-CB 4.31Å; Y166-L186 HydrophobicContact CG-CB 4.14Å; V167-L186 HydrophobicContact CG2-CD1 3.99Å; V167-L186 HydrophobicContact CG2-CD2 4.44Å; L170-L186 HydrophobicContact CD1-CB 4.23Å; L170-L186 HydrophobicContact CD1-CD2 3.62Å; L177-L186 HydrophobicContact CD1-CD2 3.81Å; L177-L186 HydrophobicContact CD2-CD2 3.77Å; L177-L186 HydrophobicContact CG-CD2 4.42Å; E181-L186 HydrophobicContact CB-CD1 4.44Å; E181-L186 HydrophobicContact CB-CD2 3.75Å; E181-L186 HydrophobicContact CB-CG 3.8Å; E181-L186 HydrophobicContact CG-CD2 4.26Å; S182-L186 WeakPolarHBondContact O-CG 3.46Å; S182-L186 PolarHBondContact O-N 3.43Å; L186-A188 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.36Å; L186-M189 PolarHBondContact O-N 2.96Å; L186-L190 WeakPolarHBondContact O-CB 3.49Å; L186-L190 PolarHBondContact O-N 2.83Å |
| 187 | S | 89.9 | Confident | 83.9 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 19% | 0.189 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 176 | 83.9 | 0 | 0 | 0 | 0 | 112.7 | P183 A184 E185 K191 | P183-S187 WeakPolarHBondContact O-CB 3.41Å; P183-S187 PolarHBondContact O-N 2.9Å; A184-S187 PolarHBondContact O-N 2.7Å; A184-S187 PolarHBondContact O-OG 3.16Å; E185-S187 VanDerWaalsContact C-N 3.27Å; E185-S187 PolarHBondContact O-N 2.9Å; S187-K191 WeakPolarHBondContact O-CG 3.45Å; S187-K191 PolarHBondContact O-N 3.22Å |
| 188 | A | 90.5 | Very high | 82.7 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.6 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | A184 E185 L186 L190 K191 A192 | A184-A188 PolarHBondContact O-N 3.29Å; E185-A188 WeakPolarHBondContact O-CB 3.29Å; E185-A188 PolarHBondContact O-N 3.04Å; L186-A188 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.36Å; A188-L190 PolarHBondContact O-N 3.12Å; A188-K191 PolarHBondContact O-N 3.05Å; A188-A192 PolarHBondContact O-N 3.3Å |
| 189 | M | 89.6 | Confident | 81.6 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 31% | 0.305 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 173.5 | -69.5 | 174.8 | 74.6 | 0 | 0 | 111 | L170 V175 L177 E185 L186 K191 A192 C193 | L170-M189 HydrophobicContact CD1-CB 4.11Å; L170-M189 HydrophobicContact CD2-CB 4.02Å; V175-M189 HydrophobicContact CG1-CE 3.86Å; L177-M189 HydrophobicContact CD2-CE 3.84Å; L177-M189 HydrophobicContact CD2-SD 4.36Å; E185-M189 VanDerWaalsContact O-CG 3.3Å; E185-M189 WeakPolarHBondContact O-CG 3.46Å; E185-M189 PolarHBondContact O-N 2.72Å; L186-M189 PolarHBondContact O-N 2.96Å; M189-K191 VanDerWaalsContact C-N 3.31Å; M189-K191 PolarHBondContact O-N 3.15Å; M189-A192 WeakPolarHBondContact O-CB 3.43Å; M189-A192 PolarHBondContact O-N 2.98Å; M189-A192 VanDerWaalsContact O-N 3.12Å; M189-C193 PolarHBondContact O-N 3.2Å; M189-C193 PolarHBondContact O-SG 2.9Å |
| 190 | L | 90.1 | Very high | 80.4 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 179.5 | -175.3 | 65.1 | 0 | 0 | 0 | 112.1 | A147 V151 Y166 A169 L170 L173 L186 A188 S194 | A147-L190 HydrophobicContact CB-CD2 3.96Å; V151-L190 HydrophobicContact CB-CD1 4.49Å; V151-L190 HydrophobicContact CG2-CD1 3.89Å; V151-L190 HydrophobicContact CG2-CG 4.5Å; Y166-L190 HydrophobicContact CD1-CD2 3.79Å; Y166-L190 HydrophobicContact CE1-CD2 4.22Å; A169-L190 HydrophobicContact CB-CD1 3.58Å; A169-L190 HydrophobicContact CB-CD2 3.87Å; A169-L190 HydrophobicContact CB-CG 4.4Å; L170-L190 HydrophobicContact CD2-CB 4.25Å; L170-L190 HydrophobicContact CD2-CD1 4.26Å; L170-L190 HydrophobicContact CG-CB 4.4Å; L170-L190 HydrophobicContact CG-CD1 4.33Å; L173-L190 HydrophobicContact CD1-CD1 3.79Å; L186-L190 WeakPolarHBondContact O-CB 3.49Å; L186-L190 PolarHBondContact O-N 2.83Å; A188-L190 PolarHBondContact O-N 3.12Å; L190-S194 WeakPolarHBondContact O-CB 3.39Å; L190-S194 PolarHBondContact O-N 2.7Å; L190-S194 PolarHBondContact O-OG 2.69Å |
| 191 | K | 89 | Confident | 78.8 | Confident | 144 Ų | 144 | 69.3 Ų | 69.3 | 63% | 0.626 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 173.8 | -74.5 | 173.9 | -177.3 | 172.9 | 0 | 112 | S187 A188 M189 S194 S195 | S187-K191 WeakPolarHBondContact O-CG 3.45Å; S187-K191 PolarHBondContact O-N 3.22Å; A188-K191 PolarHBondContact O-N 3.05Å; M189-K191 VanDerWaalsContact C-N 3.31Å; M189-K191 PolarHBondContact O-N 3.15Å; K191-S194 WeakPolarHBondContact CA-OG 3.31Å; K191-S194 PolarHBondContact O-OG 3.44Å; K191-S194 VanDerWaalsContact O-OG 3.08Å; K191-S195 WeakPolarHBondContact O-CB 3.02Å; K191-S195 PolarHBondContact O-N 3.49Å; K191-S195 VanDerWaalsContact O-N 3.08Å; K191-S195 PolarHBondContact O-OG 2.94Å |
| 192 | A | 87.3 | Confident | 77.2 | Confident | 48 Ų | 48 | 75 Ų | 75 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -50.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A188 M189 S194 S195 I196 | A188-A192 PolarHBondContact O-N 3.3Å; M189-A192 WeakPolarHBondContact O-CB 3.43Å; M189-A192 PolarHBondContact O-N 2.98Å; M189-A192 VanDerWaalsContact O-N 3.12Å; A192-S194 PolarHBondContact O-N 2.79Å; A192-S195 PolarHBondContact O-N 3.21Å; A192-S195 PolarHBondContact O-OG 2.82Å; A192-I196 WeakPolarHBondContact O-CG1 3.48Å; A192-I196 PolarHBondContact O-N 3.43Å; A192-I196 VanDerWaalsContact O-N 3.14Å |
| 193 | C | 84.6 | Confident | 75.7 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 22% | 0.216 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | -178.6 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | L173 M189 S195 I196 S197 | L173-C193 HydrophobicContact CD1-CB 3.59Å; M189-C193 PolarHBondContact O-N 3.2Å; M189-C193 PolarHBondContact O-SG 2.9Å; C193-S195 VanDerWaalsContact C-N 3.32Å; C193-S195 PolarHBondContact O-N 2.79Å; C193-I196 PolarHBondContact O-N 3.38Å; C193-S197 PolarHBondContact O-N 3.46Å |
| 194 | S | 80.6 | Confident | 74 | Confident | 46 Ų | 46 | 79.6 Ų | 79.6 | 32% | 0.322 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.1 | -33.5 | 176.3 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | L190 K191 A192 I196 S198 | L190-S194 WeakPolarHBondContact O-CB 3.39Å; L190-S194 PolarHBondContact O-N 2.7Å; L190-S194 PolarHBondContact O-OG 2.69Å; K191-S194 WeakPolarHBondContact CA-OG 3.31Å; K191-S194 PolarHBondContact O-OG 3.44Å; K191-S194 VanDerWaalsContact O-OG 3.08Å; A192-S194 PolarHBondContact O-N 2.79Å; S194-I196 VanDerWaalsContact C-N 3.32Å; S194-I196 PolarHBondContact O-N 3.1Å; S194-S198 PolarHBondContact O-N 3.43Å; S194-S198 PolarHBondContact O-OG 3.3Å |
| 195 | S | 78.8 | Confident | 72.3 | Confident | 50 Ų | 50 | 80.9 Ų | 80.9 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.5 | -28.6 | 174 | 79.6 | 0 | 0 | 0 | 0 | 113.6 | K191 A192 C193 S198 K199 | K191-S195 WeakPolarHBondContact O-CB 3.02Å; K191-S195 PolarHBondContact O-N 3.49Å; K191-S195 VanDerWaalsContact O-N 3.08Å; K191-S195 PolarHBondContact O-OG 2.94Å; A192-S195 PolarHBondContact O-N 3.21Å; A192-S195 PolarHBondContact O-OG 2.82Å; C193-S195 VanDerWaalsContact C-N 3.32Å; C193-S195 PolarHBondContact O-N 2.79Å; S195-S198 PolarHBondContact O-OG 2.97Å; S195-K199 WeakPolarHBondContact O-CG 3.46Å |
| 196 | I | 68.9 | Low | 70.6 | Confident | 107 Ų | 107 | 85.2 Ų | 85.2 | 55% | 0.549 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.7 | -46.1 | 177.1 | -66.7 | 162.7 | 0 | 0 | 0 | 109.3 | A192 C193 S194 S198 K199 V200 | A192-I196 WeakPolarHBondContact O-CG1 3.48Å; A192-I196 PolarHBondContact O-N 3.43Å; A192-I196 VanDerWaalsContact O-N 3.14Å; C193-I196 PolarHBondContact O-N 3.38Å; S194-I196 VanDerWaalsContact C-N 3.32Å; S194-I196 PolarHBondContact O-N 3.1Å; I196-S198 PolarHBondContact O-N 3.07Å; I196-S198 VanDerWaalsContact O-N 3.17Å; I196-K199 PolarHBondContact O-N 3.43Å; I196-K199 VanDerWaalsContact O-N 3.07Å; I196-V200 PolarHBondContact O-N 3.24Å |
| 197 | S | 58.7 | Low | 68.5 | Low | 84 Ų | 84 | 91.9 Ų | 91.9 | 59% | 0.587 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.5 | -26.6 | -179.2 | -168.6 | 0 | 0 | 0 | 0 | 113.8 | C193 | C193-S197 PolarHBondContact O-N 3.46Å |
| 198 | S | 57.2 | Low | 66.5 | Low | 95 Ų | 95 | 99.4 Ų | 99.4 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -14.8 | 178.4 | 46 | 0 | 0 | 0 | 0 | 114 | S194 S195 I196 | S194-S198 PolarHBondContact O-N 3.43Å; S194-S198 PolarHBondContact O-OG 3.3Å; S195-S198 PolarHBondContact O-OG 2.97Å; I196-S198 PolarHBondContact O-N 3.07Å; I196-S198 VanDerWaalsContact O-N 3.17Å |
| 199 | K | 56.9 | Low | 64.6 | Low | 170 Ų | 170 | 100.9 Ų | 100.9 | 74% | 0.739 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -11.8 | 179.9 | -72.7 | 178.4 | -177.9 | 176.8 | 0 | 113.9 | S195 I196 D201 | S195-K199 WeakPolarHBondContact O-CG 3.46Å; I196-K199 PolarHBondContact O-N 3.43Å; I196-K199 VanDerWaalsContact O-N 3.07Å; K199-D201 PolarHBondContact O-N 3.19Å |
| 200 | V | 52.9 | Low | 62.7 | Low | 83 Ų | 83 | 105.9 Ų | 105.9 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | trans | -82.9 | 76.1 | 172 | -171.2 | 0 | 0 | 0 | 0 | 107.9 | I196 N202 | I196-V200 PolarHBondContact O-N 3.24Å; V200-N202 WeakPolarHBondContact CG1-OD1 3.28Å; V200-N202 PolarHBondContact O-N 3.07Å | ||
| 201 | D | 49.5 | Very low | 60.8 | Low | 137 Ų | 137 | 110.9 Ų | 110.9 | 73% | 0.733 | 60% | 0.603 | S | S | * | * | trans | -68.6 | 90.4 | 159.9 | -168.6 | -2.3 | 0 | 0 | 0 | 106.7 | K199 G203 | K199-D201 PolarHBondContact O-N 3.19Å; D201-G203 PolarHBondContact O-N 3.36Å; D201-G203 WeakPolarHBondContact OD1-CA 3.44Å; D201-G203 PolarHBondContact OD1-N 3.26Å | ||
| 202 | N | 53.2 | Low | 58.9 | Low | 146 Ų | 146 | 112.8 Ų | 112.8 | 78% | 0.781 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 12.9 | 169.1 | -80.8 | -28.9 | 0 | 0 | 0 | 112.1 | V200 F204 | V200-N202 WeakPolarHBondContact CG1-OD1 3.28Å; V200-N202 PolarHBondContact O-N 3.07Å; N202-F204 PolarHBondContact O-N 3.11Å |
| 203 | G | 55.2 | Low | 57.3 | Low | 54 Ų | 54 | 118.3 Ų | 118.3 | 56% | 0.557 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 13.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D201 S205 | D201-G203 PolarHBondContact O-N 3.36Å; D201-G203 WeakPolarHBondContact OD1-CA 3.44Å; D201-G203 PolarHBondContact OD1-N 3.26Å; G203-S205 PolarHBondContact O-N 3.45Å |
| 204 | F | 51.2 | Low | 55.9 | Low | 154 Ų | 154 | 123.9 Ų | 123.9 | 68% | 0.675 | 65% | 0.651 | S | S | * | * | trans | -75.6 | 78.1 | 159.6 | -157.4 | -82.9 | 0 | 0 | 0 | 109.1 | N202 Y206 | N202-F204 PolarHBondContact O-N 3.11Å; F204-Y206 AromaticContact CD1-CD2 3.7Å; F204-Y206 HydrophobicContact CD1-CD2 3.7Å; F204-Y206 AromaticContact CD1-CE2 3.9Å; F204-Y206 HydrophobicContact CD1-CE2 3.9Å; F204-Y206 HydrophobicContact CD1-CG 4.43Å; F204-Y206 HydrophobicContact CE1-CD1 4.4Å; F204-Y206 AromaticContact CE1-CD2 3.39Å; F204-Y206 HydrophobicContact CE1-CD2 3.39Å; F204-Y206 HydrophobicContact CE1-CE1 4.3Å; F204-Y206 AromaticContact CE1-CE2 3.27Å; F204-Y206 HydrophobicContact CE1-CE2 3.27Å; F204-Y206 AromaticContact CE1-CG 3.97Å; F204-Y206 HydrophobicContact CE1-CG 3.97Å; F204-Y206 AromaticContact CE1-CZ 3.75Å; F204-Y206 HydrophobicContact CZ-CE2 4.24Å; F204-Y206 PolarHBondContact O-N 3.3Å | ||
| 205 | S | 52.9 | Low | 55.1 | Low | 94 Ų | 94 | 129.4 Ų | 129.4 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | trans | -73 | 116.3 | 164.2 | 68.2 | 0 | 0 | 0 | 0 | 108.3 | G203 D207 | G203-S205 PolarHBondContact O-N 3.45Å; S205-D207 PolarHBondContact O-N 3.09Å | ||
| 206 | Y | 54.7 | Low | 53.9 | Low | 196 Ų | 196 | 133.9 Ų | 133.9 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | trans | -72.3 | 63.3 | 156 | -98.6 | -78.2 | 0 | 0 | 0 | 108.1 | F204 Y208 | F204-Y206 AromaticContact CD1-CD2 3.7Å; F204-Y206 HydrophobicContact CD1-CD2 3.7Å; F204-Y206 AromaticContact CD1-CE2 3.9Å; F204-Y206 HydrophobicContact CD1-CE2 3.9Å; F204-Y206 HydrophobicContact CD1-CG 4.43Å; F204-Y206 HydrophobicContact CE1-CD1 4.4Å; F204-Y206 AromaticContact CE1-CD2 3.39Å; F204-Y206 HydrophobicContact CE1-CD2 3.39Å; F204-Y206 HydrophobicContact CE1-CE1 4.3Å; F204-Y206 AromaticContact CE1-CE2 3.27Å; F204-Y206 HydrophobicContact CE1-CE2 3.27Å; F204-Y206 AromaticContact CE1-CG 3.97Å; F204-Y206 HydrophobicContact CE1-CG 3.97Å; F204-Y206 AromaticContact CE1-CZ 3.75Å; F204-Y206 HydrophobicContact CZ-CE2 4.24Å; F204-Y206 PolarHBondContact O-N 3.3Å; Y206-Y208 PolarHBondContact O-N 3.47Å | ||
| 207 | D | 47.6 | Very low | 53.5 | Low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | -87.3 | 82.6 | 160.6 | -135.7 | -3.4 | 0 | 0 | 0 | 106.3 | S205 S209 | S205-D207 PolarHBondContact O-N 3.09Å; D207-S209 PolarHBondContact O-N 3.3Å | ||
| 208 | Y | 47.5 | Very low | 53.6 | Low | 185 Ų | 185 | 141.1 Ų | 141.1 | 73% | 0.725 | 72% | 0.715 | S | S | * | * | trans | -66.3 | 79.4 | 170.3 | -170 | -94 | 0 | 0 | 0 | 107.4 | Y206 E210 | Y206-Y208 PolarHBondContact O-N 3.47Å; Y208-E210 HydrophobicContact CD1-CG 3.98Å; Y208-E210 HydrophobicContact CE1-CG 3.61Å; Y208-E210 PolarHBondContact O-N 3.21Å | ||
| 209 | S | 50.2 | Low | 53.8 | Low | 87 Ų | 87 | 147.9 Ų | 147.9 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | trans | -73.9 | 111.9 | 164.3 | 62.1 | 0 | 0 | 0 | 0 | 107.2 | D207 T211 | D207-S209 PolarHBondContact O-N 3.3Å; S209-T211 PolarHBondContact O-N 2.78Å | ||
| 210 | E | 49.4 | Very low | 53.6 | Low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | trans | -63 | 79 | 168.1 | -75 | -175.9 | 151 | 0 | 0 | 109.6 | Y208 | Y208-E210 HydrophobicContact CD1-CG 3.98Å; Y208-E210 HydrophobicContact CE1-CG 3.61Å; Y208-E210 PolarHBondContact O-N 3.21Å | ||
| 211 | T | 50.6 | Low | 53.7 | Low | 109 Ų | 109 | 150.1 Ų | 150.1 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -115.1 | 91.8 | 160.1 | 46.5 | 0 | 0 | 0 | 0 | 106.9 | S209 E213 | S209-T211 PolarHBondContact O-N 2.78Å; T211-E213 VanDerWaalsContact C-N 3.27Å; T211-E213 PolarHBondContact O-N 3.2Å | ||
| 212 | K | 48.1 | Very low | 53.9 | Low | 184 Ų | 184 | 150.8 Ų | 150.8 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | trans | -59.8 | 89.9 | 168.1 | -74.7 | -176.5 | 175.8 | -175.6 | 0 | 109 | E214 | K212-E214 PolarHBondContact O-N 3.4Š| ||
| 213 | E | 54 | Low | 53.9 | Low | 165 Ų | 165 | 151.1 Ų | 151.1 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | -90.1 | 87.5 | 156 | -73 | -166.2 | 167.7 | 0 | 0 | 108 | T211 K215 | T211-E213 VanDerWaalsContact C-N 3.27Å; T211-E213 PolarHBondContact O-N 3.2Å; E213-K215 PolarHBondContact O-N 3.2Å | ||
| 214 | E | 55.6 | Low | 53.8 | Low | 148 Ų | 148 | 157.2 Ų | 157.2 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -63.5 | 102.6 | 167.6 | -70.6 | -179.5 | 178.1 | 0 | 0 | 109 | K212 N216 | K212-E214 PolarHBondContact O-N 3.4Å; E214-N216 PolarHBondContact O-N 3.28Å | ||
| 215 | K | 63.4 | Low | 54 | Low | 163 Ų | 163 | 157.4 Ų | 157.4 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | trans | -79.4 | 99.4 | 164.8 | -74.1 | -178.2 | -178.8 | 172.9 | 0 | 108.6 | E213 F217 | E213-K215 PolarHBondContact O-N 3.2Å; K215-F217 HydrophobicContact CB-CE2 4.05Å; K215-F217 PolarHBondContact O-N 3.21Å | ||
| 216 | N | 55 | Low | 54.1 | Low | 144 Ų | 144 | 161.9 Ų | 161.9 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -64.4 | 118.3 | 166.7 | -75.3 | -56.7 | 0 | 0 | 0 | 109.6 | E214 | E214-N216 PolarHBondContact O-N 3.28Š| ||
| 217 | F | 60.6 | Low | 54.1 | Low | 176 Ų | 176 | 159.3 Ų | 159.3 | 77% | 0.772 | 78% | 0.781 | S | S | * | * | trans | -103.2 | 112.9 | 162.2 | -72.6 | -84.5 | 0 | 0 | 0 | 107.8 | K215 I219 | K215-F217 HydrophobicContact CB-CE2 4.05Å; K215-F217 PolarHBondContact O-N 3.21Å; F217-I219 PolarHBondContact O-N 3.07Å | ||
| 218 | N | 59.1 | Low | 54.6 | Low | 167 Ų | 167 | 160.9 Ų | 160.9 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -69.8 | 120.7 | 166.1 | -85.5 | -6.5 | 0 | 0 | 0 | 108.5 | ||||
| 219 | I | 61.7 | Low | 55.2 | Low | 236 Ų | 236 | 158.7 Ų | 158.7 | 100% | 1.21 | 79% | 0.789 | S | S | * | * | trans | -93.8 | 0 | 157.3 | -60.6 | 175.6 | 0 | 0 | 0 | 107.4 | F217 | F217-I219 PolarHBondContact O-N 3.07Š|
Retrieved 219 of 219 residues in 719.2 ms
(Link to these results)