| 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 | 27.3 | Very low | 28.7 | Very low | 144 Ų | 144 | 102.7 Ų | 102.7 | 71% | 0.709 | 54% | 0.544 | S | S | * | . | 0 | 129.4 | 0 | -86.2 | -147.2 | 165.5 | 0 | 0 | 107.5 | |||||
| 2 | N | 27.1 | Very low | 28.8 | Very low | 78 Ų | 78 | 114.5 Ų | 114.5 | 42% | 0.417 | 58% | 0.575 | S | S | . | * | cis | -154.1 | 172 | 4.7 | -139.2 | 11 | 0 | 0 | 0 | 117.6 | Q1714 | N2-Q1714 VanDerWaalsContact C-CD 3.43Å; N2-Q1714 VanDerWaalsContact O-CB 3.27Å; N2-Q1714 WeakPolarHBondContact O-CB 3.39Å | ||
| 3 | K | 27.6 | Very low | 29.1 | Very low | 34 Ų | 34 | 114.5 Ų | 114.5 | 15% | 0.148 | 59% | 0.585 | C | S | . | * | trans | -41.3 | 147 | 148.6 | -120.3 | 72.9 | -170.5 | 155.7 | 0 | 109.3 | L6 E1712 Q1713 Q1714 | K3-L6 HydrophobicContact CG-CD2 4.46Å; K3-E1712 VanDerWaalsContact CE-OE1 3.31Å; K3-E1712 WeakPolarHBondContact CE-OE1 3.31Å; K3-E1712 WeakPolarHBondContact CE-OE2 3.47Å; K3-E1712 IonicContact NZ-OE1 3.45Å; K3-E1712 PolarHBondContact NZ-OE1 3.01Å; K3-E1712 IonicContact NZ-OE2 3.98Å; K3-E1712 PolarHBondContact NZ-OE2 3.5Å; K3-Q1713 WeakPolarHBondContact CD-O 3.41Å; K3-Q1713 WeakPolarHBondContact CE-O 3.26Å; K3-Q1713 PolarHBondContact NZ-O 3.15Å; K3-Q1714 VanDerWaalsContact CD-O 3.25Å; K3-Q1714 WeakPolarHBondContact CD-O 3.46Å; K3-Q1714 PolarHBondContact NZ-O 3.1Å | ||
| 4 | S | 29.6 | Very low | 29.4 | Very low | 57 Ų | 57 | 116.9 Ų | 116.9 | 40% | 0.399 | 60% | 0.6 | S | S | . | * | -165.9 | 155.9 | 67.7 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | Q1713 | S4-Q1713 VanDerWaalsContact N-OE1 3.16Å; S4-Q1713 WeakPolarHBondContact O-CG 3.26Å; S4-Q1713 PolarHBondContact O-OE1 2.85Å | |||
| 5 | C | 23.6 | Very low | 30 | Very low | 69 Ų | 69 | 121.7 Ų | 121.7 | 47% | 0.466 | 62% | 0.619 | S | S | . | * | S | Bend | cis | -125.9 | 106.6 | 22.6 | -65.6 | 0 | 0 | 0 | 0 | 113.6 | H1711 E1712 | C5-H1711 WeakPolarHBondContact O-CA 3.46Å; C5-H1711 PolarHBondContact O-ND1 3.44Å; C5-E1712 VanDerWaalsContact O-CA 3.28Å; C5-E1712 WeakPolarHBondContact O-CA 3.42Å; C5-E1712 WeakPolarHBondContact O-CB 3.44Å |
| 6 | L | 27.5 | Very low | 30.5 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 49% | 0.492 | 63% | 0.634 | S | S | . | * | 78.3 | 80 | 95.8 | -72.7 | 162.2 | 0 | 0 | 0 | 114.1 | K3 H1711 E1712 | K3-L6 HydrophobicContact CG-CD2 4.46Å; L6-H1711 PolarHBondContact O-CE1 3.17Å; L6-H1711 PolarHBondContact O-ND1 3.23Å; L6-E1712 VanDerWaalsContact C-OE2 3.31Å; L6-E1712 WeakPolarHBondContact CA-OE2 3.34Å; L6-E1712 PolarHBondContact N-OE2 2.59Å | |||
| 7 | N | 29.3 | Very low | 31.3 | Very low | 100 Ų | 100 | 127 Ų | 127 | 54% | 0.535 | 63% | 0.631 | S | S | . | * | -176.7 | 118.7 | 125.8 | -87 | -22.1 | 0 | 0 | 0 | 112.2 | E1712 | N7-E1712 PolarHBondContact N-OE2 2.9Š| |||
| 8 | L | 29.8 | Very low | 32.7 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 62% | 0.618 | 62% | 0.62 | S | S | * | * | trans | -91.7 | 96 | 169.7 | -74.8 | 127 | 0 | 0 | 0 | 109.9 | Q1715 | L8-Q1715 HydrophobicContact CD2-CG 4.49Š| ||
| 9 | S | 31.3 | Very low | 34.5 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 64% | 0.643 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -147.6 | -24.2 | 174.6 | 39.6 | 0 | 0 | 0 | 0 | 116.8 | ||
| 10 | E | 30.7 | Very low | 36.2 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 78% | 0.78 | 62% | 0.62 | S | S | * | * | trans | -123.1 | -5.1 | -162.2 | -72.6 | 159.6 | 151 | 0 | 0 | 116.6 | R12 | E10-R12 PolarHBondContact O-N 2.91Š| ||
| 11 | F | 32.4 | Very low | 37.8 | Very low | 177 Ų | 177 | 124.7 Ų | 124.7 | 78% | 0.776 | 62% | 0.616 | S | S | * | * | trans | -71.1 | 89.2 | -173.6 | -91 | -96.7 | 0 | 0 | 0 | 114.9 | ||||
| 12 | R | 29.8 | Very low | 40 | Very low | 244 Ų | 244 | 125.8 Ų | 125.8 | 92% | 0.921 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -167 | 34.7 | 159.9 | -120.4 | 175.7 | -164.2 | -154.4 | 4 | 121.3 | E10 | E10-R12 PolarHBondContact O-N 2.91Š|
| 13 | T | 32.2 | Very low | 42.3 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | trans | -127.4 | -44.2 | -177.6 | 38.6 | 0 | 0 | 0 | 0 | 118.8 | Q15 | T13-Q15 VanDerWaalsContact C-N 3.31Å; T13-Q15 PolarHBondContact O-N 2.73Å | ||
| 14 | D | 34 | Very low | 44.7 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | trans | -85.7 | 28.4 | -145.8 | -48.7 | -24.2 | 0 | 0 | 0 | 117.2 | Y16 | D14-Y16 VanDerWaalsContact C-N 3.32Å; D14-Y16 PolarHBondContact O-N 2.87Å | ||
| 15 | Q | 37.7 | Very low | 46.9 | Very low | 189 Ų | 189 | 125.9 Ų | 125.9 | 88% | 0.883 | 62% | 0.617 | S | S | * | * | trans | -88.1 | 8.5 | -173.9 | -138.2 | 172.5 | 24.6 | 0 | 0 | 115.2 | T13 | T13-Q15 VanDerWaalsContact C-N 3.31Å; T13-Q15 PolarHBondContact O-N 2.73Å | ||
| 16 | Y | 38 | Very low | 49.7 | Very low | 221 Ų | 221 | 126.7 Ų | 126.7 | 87% | 0.867 | 62% | 0.616 | S | S | * | * | trans | -120 | 78.7 | 174.4 | -83 | -94.9 | 0 | 0 | 0 | 111.1 | D14 | D14-Y16 VanDerWaalsContact C-N 3.32Å; D14-Y16 PolarHBondContact O-N 2.87Å | ||
| 17 | I | 43.9 | Very low | 52.3 | Low | 113 Ų | 113 | 128 Ų | 128 | 58% | 0.579 | 62% | 0.62 | S | S | * | * | trans | -68.2 | 125.5 | 149 | -57.5 | 176 | 0 | 0 | 0 | 105.7 | I19 R22 | I17-I19 PolarHBondContact O-N 3.19Å; I17-R22 HydrophobicContact CG2-CG 3.79Å | ||
| 18 | D | 57.5 | Low | 54.7 | Low | 82 Ų | 82 | 130.1 Ų | 130.1 | 44% | 0.439 | 62% | 0.624 | S | S | . | * | trans | -57.2 | 131.8 | -175.4 | -172.9 | -5.2 | 0 | 0 | 0 | 110 | K20 E21 R22 | D18-K20 PolarHBondContact O-N 3.1Å; D18-K20 WeakPolarHBondContact OD1-CB 3.39Å; D18-K20 PolarHBondContact OD1-N 3.17Å; D18-K20 WeakPolarHBondContact OD2-CB 3.33Å; D18-E21 HydrophobicContact CB-CB 4.3Å; D18-E21 HydrophobicContact CB-CG 4.07Å; D18-E21 PolarHBondContact O-N 3.28Å; D18-R22 PolarHBondContact O-N 3.07Å; D18-R22 VanDerWaalsContact O-N 3.07Å | ||
| 19 | I | 66.3 | Low | 57.1 | Low | 119 Ų | 119 | 128.4 Ų | 128.4 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -55.6 | -33.9 | 173.2 | -66.7 | 175.2 | 0 | 0 | 0 | 109.5 | I17 R22 L23 | I17-I19 PolarHBondContact O-N 3.19Å; I19-R22 PolarHBondContact O-N 3.32Å; I19-L23 HydrophobicContact CG2-CD1 3.93Å; I19-L23 HydrophobicContact CG2-CG 4.33Å; I19-L23 WeakPolarHBondContact O-CB 3.27Å; I19-L23 VanDerWaalsContact O-CG 3.26Å; I19-L23 WeakPolarHBondContact O-CG 3.38Å; I19-L23 PolarHBondContact O-N 3.15Å |
| 20 | K | 69.3 | Low | 59.5 | Low | 146 Ų | 146 | 127 Ų | 127 | 64% | 0.635 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64 | -43.2 | 174.8 | -166.2 | -176.5 | 177.9 | -175 | 0 | 113.1 | D18 R22 L23 V24 | D18-K20 PolarHBondContact O-N 3.1Å; D18-K20 WeakPolarHBondContact OD1-CB 3.39Å; D18-K20 PolarHBondContact OD1-N 3.17Å; D18-K20 WeakPolarHBondContact OD2-CB 3.33Å; K20-R22 VanDerWaalsContact C-N 3.32Å; K20-L23 PolarHBondContact O-N 3.05Å; K20-V24 VanDerWaalsContact O-CB 3.3Å; K20-V24 WeakPolarHBondContact O-CB 3.14Å; K20-V24 WeakPolarHBondContact O-CG2 3.28Å; K20-V24 PolarHBondContact O-N 3.43Å |
| 21 | E | 69.7 | Low | 61.6 | Low | 112 Ų | 112 | 122.2 Ų | 122.2 | 52% | 0.523 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.2 | -38.4 | 176.1 | -72.8 | -178 | 155 | 0 | 0 | 111.4 | D18 V24 A25 | D18-E21 HydrophobicContact CB-CB 4.3Å; D18-E21 HydrophobicContact CB-CG 4.07Å; D18-E21 PolarHBondContact O-N 3.28Å; E21-V24 WeakPolarHBondContact O-CB 3.39Å; E21-V24 PolarHBondContact O-N 2.96Å; E21-A25 WeakPolarHBondContact O-CB 3.49Å; E21-A25 PolarHBondContact O-N 3.43Å |
| 22 | R | 73.1 | Confident | 63.4 | Low | 167 Ų | 167 | 116.3 Ų | 116.3 | 63% | 0.63 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.8 | -38.8 | 175.8 | -66.5 | 178.1 | 61.4 | -159.3 | -4.2 | 112.6 | I17 D18 I19 K20 L26 | I17-R22 HydrophobicContact CG2-CG 3.79Å; D18-R22 PolarHBondContact O-N 3.07Å; D18-R22 VanDerWaalsContact O-N 3.07Å; I19-R22 PolarHBondContact O-N 3.32Å; K20-R22 VanDerWaalsContact C-N 3.32Å; R22-L26 WeakPolarHBondContact O-CB 3.26Å; R22-L26 PolarHBondContact O-N 2.8Å |
| 23 | L | 76 | Confident | 64.9 | Low | 90 Ų | 90 | 107.5 Ų | 107.5 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | 172.7 | -74.2 | 169.1 | 0 | 0 | 0 | 111 | I19 K20 A25 L26 E27 | I19-L23 HydrophobicContact CG2-CD1 3.93Å; I19-L23 HydrophobicContact CG2-CG 4.33Å; I19-L23 WeakPolarHBondContact O-CB 3.27Å; I19-L23 VanDerWaalsContact O-CG 3.26Å; I19-L23 WeakPolarHBondContact O-CG 3.38Å; I19-L23 PolarHBondContact O-N 3.15Å; K20-L23 PolarHBondContact O-N 3.05Å; L23-A25 PolarHBondContact O-N 2.76Å; L23-L26 CarbonylContact O-C 3.39Å; L23-L26 PolarHBondContact O-N 3.46Å; L23-L26 VanDerWaalsContact O-N 3.15Å; L23-E27 WeakPolarHBondContact O-CB 3.47Å; L23-E27 WeakPolarHBondContact O-CG 3.49Å; L23-E27 PolarHBondContact O-N 2.92Å |
| 24 | V | 77.3 | Confident | 66.4 | Low | 36 Ų | 36 | 107.2 Ų | 107.2 | 22% | 0.218 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -54.9 | -46.5 | 173.6 | 147.4 | 0 | 0 | 0 | 0 | 112.4 | K20 E21 E27 K28 Y1665 | K20-V24 VanDerWaalsContact O-CB 3.3Å; K20-V24 WeakPolarHBondContact O-CB 3.14Å; K20-V24 WeakPolarHBondContact O-CG2 3.28Å; K20-V24 PolarHBondContact O-N 3.43Å; E21-V24 WeakPolarHBondContact O-CB 3.39Å; E21-V24 PolarHBondContact O-N 2.96Å; V24-E27 PolarHBondContact O-N 3.44Å; V24-K28 PolarHBondContact O-N 3.48Å; V24-Y1665 HydrophobicContact CG1-CE2 3.85Å; V24-Y1665 VanDerWaalsContact CG1-OH 3.23Å; V24-Y1665 WeakPolarHBondContact CG1-OH 3.41Å; V24-Y1665 HydrophobicContact CG2-CE2 3.92Å; V24-Y1665 WeakPolarHBondContact CG2-OH 3.42Å |
| 25 | A | 75.6 | Confident | 68.2 | Low | 46 Ų | 46 | 100.9 Ų | 100.9 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E21 L23 K28 H29 | E21-A25 WeakPolarHBondContact O-CB 3.49Å; E21-A25 PolarHBondContact O-N 3.43Å; L23-A25 PolarHBondContact O-N 2.76Å; A25-K28 PolarHBondContact O-N 3.02Å; A25-H29 PolarHBondContact O-CD2 3.44Å; A25-H29 PolarHBondContact O-N 3.29Å |
| 26 | L | 82.1 | Confident | 69.7 | Low | 86 Ų | 86 | 97.7 Ų | 97.7 | 45% | 0.45 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 176.8 | -177.2 | 61.5 | 0 | 0 | 0 | 112.3 | R22 L23 K28 H29 L30 | R22-L26 WeakPolarHBondContact O-CB 3.26Å; R22-L26 PolarHBondContact O-N 2.8Å; L23-L26 CarbonylContact O-C 3.39Å; L23-L26 PolarHBondContact O-N 3.46Å; L23-L26 VanDerWaalsContact O-N 3.15Å; L26-K28 VanDerWaalsContact C-N 3.3Å; L26-K28 PolarHBondContact O-N 2.92Å; L26-H29 CarbonylContact O-C 3.59Å; L26-H29 PolarHBondContact O-N 3.46Å; L26-H29 VanDerWaalsContact O-N 3.14Å; L26-L30 HydrophobicContact CD1-CD1 4.31Å; L26-L30 HydrophobicContact CD1-CG 4.2Å; L26-L30 HydrophobicContact CG-CD1 3.94Å; L26-L30 HydrophobicContact CG-CG 4.3Å; L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.24Å; L26-L30 PolarHBondContact O-N 3.3Å |
| 27 | E | 81.9 | Confident | 71.4 | Confident | 121 Ų | 121 | 92.6 Ų | 92.6 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.5 | -41.8 | 174.7 | -76.6 | 173 | -174.4 | 0 | 0 | 111.5 | L23 V24 L30 S31 | L23-E27 WeakPolarHBondContact O-CB 3.47Å; L23-E27 WeakPolarHBondContact O-CG 3.49Å; L23-E27 PolarHBondContact O-N 2.92Å; V24-E27 PolarHBondContact O-N 3.44Å; E27-L30 PolarHBondContact O-N 3.06Å; E27-S31 WeakPolarHBondContact O-CB 3.4Å; E27-S31 PolarHBondContact O-N 3Å; E27-S31 VanDerWaalsContact O-N 3.14Å; E27-S31 PolarHBondContact O-OG 2.95Å |
| 28 | K | 79.7 | Confident | 73 | Confident | 144 Ų | 144 | 89 Ų | 89 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.7 | -49 | 172.5 | -169.6 | -171.5 | 175.1 | -166 | 0 | 111.1 | V24 A25 L26 L30 S31 D32 | V24-K28 PolarHBondContact O-N 3.48Å; A25-K28 PolarHBondContact O-N 3.02Å; L26-K28 VanDerWaalsContact C-N 3.3Å; L26-K28 PolarHBondContact O-N 2.92Å; K28-L30 VanDerWaalsContact C-N 3.33Å; K28-L30 PolarHBondContact O-N 2.89Å; K28-S31 PolarHBondContact O-N 2.83Å; K28-S31 PolarHBondContact O-OG 3.47Å; K28-D32 WeakPolarHBondContact O-CB 3.29Å; K28-D32 PolarHBondContact O-N 2.69Å |
| 29 | H | 79.9 | Confident | 73.9 | Confident | 82 Ų | 82 | 87.5 Ų | 87.5 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.7 | -30.7 | 178.9 | -80.3 | -60.8 | 0 | 0 | 0 | 114.3 | A25 L26 S35 F37 Y38 | A25-H29 PolarHBondContact O-CD2 3.44Å; A25-H29 PolarHBondContact O-N 3.29Å; L26-H29 CarbonylContact O-C 3.59Å; L26-H29 PolarHBondContact O-N 3.46Å; L26-H29 VanDerWaalsContact O-N 3.14Å; H29-S35 PolarHBondContact ND1-OG 2.94Å; H29-S35 WeakPolarHBondContact O-CB 3.25Å; H29-F37 HydrophobicContact CB-CB 4.14Å; H29-F37 HydrophobicContact CB-CD2 4.31Å; H29-F37 CarbonylContact O-C 3.37Å; H29-Y38 PolarHBondContact O-N 3.14Å |
| 30 | L | 81.6 | Confident | 74.2 | Confident | 62 Ų | 62 | 83 Ų | 83 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -75.9 | -26.9 | 176.4 | -71.4 | 169.9 | 0 | 0 | 0 | 112.9 | L26 E27 K28 Y38 V39 L42 | L26-L30 HydrophobicContact CD1-CD1 4.31Å; L26-L30 HydrophobicContact CD1-CG 4.2Å; L26-L30 HydrophobicContact CG-CD1 3.94Å; L26-L30 HydrophobicContact CG-CG 4.3Å; L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.24Å; L26-L30 PolarHBondContact O-N 3.3Å; E27-L30 PolarHBondContact O-N 3.06Å; K28-L30 VanDerWaalsContact C-N 3.33Å; K28-L30 PolarHBondContact O-N 2.89Å; L30-Y38 WeakPolarHBondContact O-CD2 3.44Å; L30-V39 PolarHBondContact O-N 3.37Å; L30-L42 HydrophobicContact CD2-CD1 3.67Å |
| 31 | S | 75.9 | Confident | 74.4 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -101.3 | -20.9 | -174.8 | 55.7 | 0 | 0 | 0 | 0 | 114.9 | E27 K28 P33 | E27-S31 WeakPolarHBondContact O-CB 3.4Å; E27-S31 PolarHBondContact O-N 3Å; E27-S31 VanDerWaalsContact O-N 3.14Å; E27-S31 PolarHBondContact O-OG 2.95Å; K28-S31 PolarHBondContact O-N 2.83Å; K28-S31 PolarHBondContact O-OG 3.47Å; S31-P33 WeakPolarHBondContact O-CD 3.28Å |
| 32 | D | 70.3 | Confident | 74.9 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 28% | 0.278 | 38% | 0.38 | S | S | . | . | trans | -74.4 | 112.6 | 175.9 | 178.5 | -4.8 | 0 | 0 | 0 | 111.9 | K28 F34 S35 Y38 | K28-D32 WeakPolarHBondContact O-CB 3.29Å; K28-D32 PolarHBondContact O-N 2.69Å; D32-F34 PolarHBondContact O-N 3.46Å; D32-F34 VanDerWaalsContact O-N 3.1Å; D32-F34 WeakPolarHBondContact OD1-CB 3.47Å; D32-F34 PolarHBondContact OD1-N 2.95Å; D32-S35 PolarHBondContact O-N 3.3Å; D32-Y38 VanDerWaalsContact O-CB 3.31Å; D32-Y38 WeakPolarHBondContact O-CB 3.41Å; D32-Y38 WeakPolarHBondContact O-CD2 3.47Å | ||
| 33 | P | 61.8 | Low | 75.3 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 38% | 0.383 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.9 | -177.4 | -23.9 | 35.8 | 0 | 0 | 0 | 115.6 | S31 Y38 R41 | S31-P33 WeakPolarHBondContact O-CD 3.28Å; P33-Y38 HydrophobicContact CB-CE1 4.4Å; P33-Y38 HydrophobicContact CB-CE2 4.39Å; P33-Y38 HydrophobicContact CG-CE2 4.19Å; P33-R41 PolarHBondContact O-NH2 2.89Å |
| 34 | F | 62.9 | Low | 75.3 | Confident | 108 Ų | 108 | 65.7 Ų | 65.7 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -7.2 | 179.8 | -55.3 | -77.8 | 0 | 0 | 0 | 112.6 | D32 E137 H141 | D32-F34 PolarHBondContact O-N 3.46Å; D32-F34 VanDerWaalsContact O-N 3.1Å; D32-F34 WeakPolarHBondContact OD1-CB 3.47Å; D32-F34 PolarHBondContact OD1-N 2.95Å; F34-E137 HydrophobicContact CD1-CG 3.99Å; F34-E137 HydrophobicContact CE1-CG 3.93Å; F34-H141 AromaticContact CE1-CE1 3.53Å; F34-H141 AromaticContact CE1-NE2 3.98Å; F34-H141 AromaticContact CZ-CE1 3.65Å; F34-H141 AromaticContact CZ-NE2 3.64Å |
| 35 | S | 71.4 | Confident | 75.5 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -83.6 | 141.5 | 176.8 | -160.1 | 0 | 0 | 0 | 0 | 112.2 | H29 D32 F37 Y38 | H29-S35 PolarHBondContact ND1-OG 2.94Å; H29-S35 WeakPolarHBondContact O-CB 3.25Å; D32-S35 PolarHBondContact O-N 3.3Å; S35-F37 PolarHBondContact O-N 3.23Å; S35-F37 VanDerWaalsContact O-N 3.12Å; S35-Y38 WeakPolarHBondContact O-CB 3.35Å; S35-Y38 PolarHBondContact O-N 2.93Å |
| 36 | D | 69.3 | Low | 75.8 | Confident | 122 Ų | 122 | 66.2 Ų | 66.2 | 65% | 0.652 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -26.3 | 171 | -69.1 | -45.8 | 0 | 0 | 0 | 113.1 | R41 | D36-R41 VanDerWaalsContact O-CB 3.31Å; D36-R41 WeakPolarHBondContact O-CB 3.45Å |
| 37 | F | 73.5 | Confident | 75.8 | Confident | 115 Ų | 115 | 62.8 Ų | 62.8 | 50% | 0.504 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.8 | 178.7 | -56.7 | -71.5 | 0 | 0 | 0 | 113.9 | H29 S35 V39 L42 | H29-F37 HydrophobicContact CB-CB 4.14Å; H29-F37 HydrophobicContact CB-CD2 4.31Å; H29-F37 CarbonylContact O-C 3.37Å; S35-F37 PolarHBondContact O-N 3.23Å; S35-F37 VanDerWaalsContact O-N 3.12Å; F37-V39 PolarHBondContact O-N 3.23Å; F37-L42 WeakPolarHBondContact O-CD1 3.26Å |
| 38 | Y | 78.3 | Confident | 75.6 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | trans | -50.9 | 137.1 | 177.2 | 178.4 | -124.3 | 0 | 0 | 0 | 110.7 | H29 L30 D32 P33 S35 E40 R41 L42 | H29-Y38 PolarHBondContact O-N 3.14Å; L30-Y38 WeakPolarHBondContact O-CD2 3.44Å; D32-Y38 VanDerWaalsContact O-CB 3.31Å; D32-Y38 WeakPolarHBondContact O-CB 3.41Å; D32-Y38 WeakPolarHBondContact O-CD2 3.47Å; P33-Y38 HydrophobicContact CB-CE1 4.4Å; P33-Y38 HydrophobicContact CB-CE2 4.39Å; P33-Y38 HydrophobicContact CG-CE2 4.19Å; S35-Y38 WeakPolarHBondContact O-CB 3.35Å; S35-Y38 PolarHBondContact O-N 2.93Å; Y38-E40 HydrophobicContact CD1-CB 3.87Å; Y38-E40 HydrophobicContact CD1-CG 4.38Å; Y38-E40 HydrophobicContact CE1-CB 3.66Å; Y38-E40 HydrophobicContact CE1-CG 3.72Å; Y38-E40 PolarHBondContact O-N 2.83Å; Y38-R41 HydrophobicContact CD1-CG 4.41Å; Y38-R41 WeakPolarHBondContact O-CA 3.48Å; Y38-R41 VanDerWaalsContact O-CB 3.27Å; Y38-R41 WeakPolarHBondContact O-CB 3.49Å; Y38-R41 PolarHBondContact O-N 3.09Å; Y38-L42 PolarHBondContact O-N 2.97Å | ||
| 39 | V | 77.2 | Confident | 75.7 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52 | -37.8 | -169.1 | 65.3 | 0 | 0 | 0 | 0 | 113.5 | L30 F37 R41 L42 L43 | L30-V39 PolarHBondContact O-N 3.37Å; F37-V39 PolarHBondContact O-N 3.23Å; V39-R41 PolarHBondContact O-N 3.01Å; V39-L42 PolarHBondContact O-N 3.5Å; V39-L43 HydrophobicContact CG2-CD1 4.28Å; V39-L43 WeakPolarHBondContact O-CG 3.37Å; V39-L43 PolarHBondContact O-N 2.82Å |
| 40 | E | 71.9 | Confident | 75.8 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.6 | -24.8 | 177.6 | -66 | -73.7 | -172.4 | 0 | 0 | 114.4 | Y38 D44 R83 S492 | Y38-E40 HydrophobicContact CD1-CB 3.87Å; Y38-E40 HydrophobicContact CD1-CG 4.38Å; Y38-E40 HydrophobicContact CE1-CB 3.66Å; Y38-E40 HydrophobicContact CE1-CG 3.72Å; Y38-E40 PolarHBondContact O-N 2.83Å; E40-D44 WeakPolarHBondContact O-CB 3.47Å; E40-D44 PolarHBondContact O-N 3.39Å; E40-D44 VanDerWaalsContact O-OD1 3.11Å; E40-R83 PolarHBondContact O-NH2 2.91Å; E40-R83 VanDerWaalsContact O-NH2 3.16Å; E40-R83 IonicContact OE2-CZ 2.76Å; E40-R83 IonicContact OE2-NE 2.7Å; E40-R83 IonicContact OE2-NH2 2.7Å; E40-R83 PolarHBondContact OE2-NH2 2.97Å; E40-S492 WeakPolarHBondContact OE1-CB 3.42Å; E40-S492 PolarHBondContact OE1-OG 3.47Å |
| 41 | R | 73.8 | Confident | 75.7 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.1 | -42.3 | 171.8 | -51.9 | -76.4 | 171.8 | -179.2 | 9.2 | 109.6 | P33 D36 Y38 V39 D44 V45 F488 A489 | P33-R41 PolarHBondContact O-NH2 2.89Å; D36-R41 VanDerWaalsContact O-CB 3.31Å; D36-R41 WeakPolarHBondContact O-CB 3.45Å; Y38-R41 HydrophobicContact CD1-CG 4.41Å; Y38-R41 WeakPolarHBondContact O-CA 3.48Å; Y38-R41 VanDerWaalsContact O-CB 3.27Å; Y38-R41 WeakPolarHBondContact O-CB 3.49Å; Y38-R41 PolarHBondContact O-N 3.09Å; V39-R41 PolarHBondContact O-N 3.01Å; R41-D44 WeakPolarHBondContact O-CB 3.37Å; R41-D44 PolarHBondContact O-N 2.76Å; R41-V45 WeakPolarHBondContact O-CG2 3.27Å; R41-V45 PolarHBondContact O-N 3Å; R41-F488 VanDerWaalsContact CD-O 3.24Å; R41-F488 WeakPolarHBondContact CD-O 3.39Å; R41-F488 PolarHBondContact NH1-O 3.27Å; R41-A489 PolarHBondContact NH1-O 2.7Å |
| 42 | L | 80.2 | Confident | 75.7 | Confident | 74 Ų | 74 | 47.3 Ų | 47.3 | 39% | 0.387 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 175.9 | -56.4 | -179.8 | 0 | 0 | 0 | 111.6 | L30 F37 Y38 V39 V45 V46 | L30-L42 HydrophobicContact CD2-CD1 3.67Å; F37-L42 WeakPolarHBondContact O-CD1 3.26Å; Y38-L42 PolarHBondContact O-N 2.97Å; V39-L42 PolarHBondContact O-N 3.5Å; L42-V45 WeakPolarHBondContact O-CB 3.35Å; L42-V45 PolarHBondContact O-N 3.48Å; L42-V46 PolarHBondContact O-N 2.88Å; L42-V46 VanDerWaalsContact O-N 3.12Å |
| 43 | L | 81.8 | Confident | 76 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.3 | -37.7 | 173 | -65.3 | 172.9 | 0 | 0 | 0 | 112.2 | V39 V45 V46 V47 L79 | V39-L43 HydrophobicContact CG2-CD1 4.28Å; V39-L43 WeakPolarHBondContact O-CG 3.37Å; V39-L43 PolarHBondContact O-N 2.82Å; L43-V45 VanDerWaalsContact C-N 3.29Å; L43-V45 PolarHBondContact O-N 3.39Å; L43-V46 PolarHBondContact O-N 2.66Å; L43-V47 WeakPolarHBondContact O-CB 3.4Å; L43-V47 WeakPolarHBondContact O-CG2 3.45Å; L43-V47 PolarHBondContact O-N 2.93Å; L43-L79 HydrophobicContact CD1-CD2 4.21Å; L43-L79 HydrophobicContact CD2-CD1 3.81Å; L43-L79 HydrophobicContact CD2-CD2 4Å |
| 44 | D | 75.8 | Confident | 76.6 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.6 | -42.1 | 168.8 | -93 | 44.3 | 0 | 0 | 0 | 110.9 | E40 R41 V47 A48 R83 Q155 F488 A489 G490 | E40-D44 WeakPolarHBondContact O-CB 3.47Å; E40-D44 PolarHBondContact O-N 3.39Å; E40-D44 VanDerWaalsContact O-OD1 3.11Å; R41-D44 WeakPolarHBondContact O-CB 3.37Å; R41-D44 PolarHBondContact O-N 2.76Å; D44-V47 PolarHBondContact O-N 3.38Å; D44-A48 WeakPolarHBondContact O-CB 3.4Å; D44-A48 PolarHBondContact O-N 3.04Å; D44-R83 IonicContact OD1-CZ 3.22Å; D44-R83 IonicContact OD1-NH1 3.16Å; D44-R83 PolarHBondContact OD1-NH1 3.48Å; D44-R83 IonicContact OD1-NH2 2.8Å; D44-R83 PolarHBondContact OD1-NH2 3.28Å; D44-Q155 PolarHBondContact OD2-NE2 3.01Å; D44-F488 HydrophobicContact CB-CD1 4.1Å; D44-A489 PolarHBondContact OD2-N 2.91Å; D44-A489 VanDerWaalsContact OD2-N 3.13Å; D44-G490 VanDerWaalsContact CG-N 3.35Å; D44-G490 PolarHBondContact OD2-N 2.93Å |
| 45 | V | 81.2 | Confident | 76.9 | Confident | 58 Ų | 58 | 44.4 Ų | 44.4 | 35% | 0.352 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | R41 L42 L43 A48 C49 F488 | R41-V45 WeakPolarHBondContact O-CG2 3.27Å; R41-V45 PolarHBondContact O-N 3Å; L42-V45 WeakPolarHBondContact O-CB 3.35Å; L42-V45 PolarHBondContact O-N 3.48Å; L43-V45 VanDerWaalsContact C-N 3.29Å; L43-V45 PolarHBondContact O-N 3.39Å; V45-A48 PolarHBondContact O-N 2.86Å; V45-C49 VanDerWaalsContact O-CB 3.26Å; V45-C49 WeakPolarHBondContact O-CB 3.45Å; V45-C49 PolarHBondContact O-N 3.15Å; V45-C49 PolarHBondContact O-SG 2.92Å; V45-F488 HydrophobicContact CB-CE1 4.21Å; V45-F488 HydrophobicContact CG2-CD1 3.85Å; V45-F488 HydrophobicContact CG2-CE1 3.63Å; V45-F488 HydrophobicContact CG2-CE2 4.33Å; V45-F488 HydrophobicContact CG2-CG 4.32Å; V45-F488 HydrophobicContact CG2-CZ 3.88Å |
| 46 | V | 81.6 | Confident | 76.5 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.3 | -48.7 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 111 | L42 L43 V50 F72 | L42-V46 PolarHBondContact O-N 2.88Å; L42-V46 VanDerWaalsContact O-N 3.12Å; L43-V46 PolarHBondContact O-N 2.66Å; V46-V50 WeakPolarHBondContact O-CG2 3.49Å; V46-V50 PolarHBondContact O-N 3.39Å; V46-F72 HydrophobicContact CG1-CB 4.18Å; V46-F72 HydrophobicContact CG1-CD1 3.89Å; V46-F72 HydrophobicContact CG1-CG 4.23Å |
| 47 | V | 81.2 | Confident | 75.8 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 9% | 0.085 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | -179.2 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | L43 D44 T51 A76 L79 Q80 | L43-V47 WeakPolarHBondContact O-CB 3.4Å; L43-V47 WeakPolarHBondContact O-CG2 3.45Å; L43-V47 PolarHBondContact O-N 2.93Å; D44-V47 PolarHBondContact O-N 3.38Å; V47-T51 WeakPolarHBondContact O-CB 3.45Å; V47-T51 PolarHBondContact O-N 2.79Å; V47-T51 PolarHBondContact O-OG1 3.44Å; V47-A76 HydrophobicContact CG2-CB 4.24Å; V47-L79 HydrophobicContact CG2-CB 3.91Å; V47-L79 HydrophobicContact CG2-CD1 4.04Å; V47-Q80 HydrophobicContact CG1-CG 3.71Å |
| 48 | A | 79.2 | Confident | 74.8 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 12% | 0.116 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70 | -43.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D44 V45 T51 E52 F486 F488 | D44-A48 WeakPolarHBondContact O-CB 3.4Å; D44-A48 PolarHBondContact O-N 3.04Å; V45-A48 PolarHBondContact O-N 2.86Å; A48-T51 WeakPolarHBondContact O-CB 3.39Å; A48-T51 PolarHBondContact O-N 3.46Å; A48-E52 WeakPolarHBondContact O-CB 3.29Å; A48-E52 PolarHBondContact O-N 3.01Å; A48-F486 HydrophobicContact CB-CD1 3.74Å; A48-F486 HydrophobicContact CB-CE1 3.82Å; A48-F488 HydrophobicContact CB-CE1 3.67Å; A48-F488 HydrophobicContact CB-CZ 4.46Å |
| 49 | C | 81.4 | Confident | 73.4 | Confident | 52 Ų | 52 | 43.4 Ų | 43.4 | 35% | 0.351 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.6 | -74.2 | 0 | 0 | 0 | 0 | 110.6 | V45 T51 E52 C53 F68 | V45-C49 VanDerWaalsContact O-CB 3.26Å; V45-C49 WeakPolarHBondContact O-CB 3.45Å; V45-C49 PolarHBondContact O-N 3.15Å; V45-C49 PolarHBondContact O-SG 2.92Å; C49-T51 VanDerWaalsContact C-N 3.32Å; C49-T51 PolarHBondContact O-N 3.3Å; C49-E52 PolarHBondContact O-N 3.27Å; C49-C53 VanDerWaalsContact O-CB 3.27Å; C49-C53 WeakPolarHBondContact O-CB 3.36Å; C49-C53 PolarHBondContact O-N 3.24Å; C49-C53 PolarHBondContact O-SG 3.39Å; C49-F68 VanDerWaalsContact C-CE1 3.48Å; C49-F68 HydrophobicContact CB-CE1 3.56Å; C49-F68 HydrophobicContact CB-CE2 4.38Å; C49-F68 HydrophobicContact CB-CZ 3.36Å |
| 50 | V | 82.1 | Confident | 72.1 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 173.9 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | V46 T54 F68 L69 F72 L73 A76 | V46-V50 WeakPolarHBondContact O-CG2 3.49Å; V46-V50 PolarHBondContact O-N 3.39Å; V50-T54 VanDerWaalsContact O-CB 3.24Å; V50-T54 WeakPolarHBondContact O-CB 3.44Å; V50-T54 PolarHBondContact O-N 3.03Å; V50-T54 PolarHBondContact O-OG1 2.94Å; V50-F68 HydrophobicContact CB-CE1 4.45Å; V50-F68 HydrophobicContact CG2-CE1 3.71Å; V50-F68 HydrophobicContact CG2-CZ 3.73Å; V50-L69 HydrophobicContact CB-CD2 4.26Å; V50-L69 HydrophobicContact CG1-CD2 3.84Å; V50-L69 WeakPolarHBondContact O-CD2 3.35Å; V50-F72 HydrophobicContact CG2-CB 3.77Å; V50-L73 HydrophobicContact CG1-CD1 3.79Å; V50-A76 HydrophobicContact CB-CB 3.71Å; V50-A76 HydrophobicContact CG1-CB 3.71Å; V50-A76 HydrophobicContact CG2-CB 3.77Å |
| 51 | T | 78.9 | Confident | 71.3 | Confident | 21 Ų | 21 | 42.9 Ų | 42.9 | 13% | 0.129 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -49.6 | 177.4 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | V47 A48 C49 T54 K55 Q80 L157 | V47-T51 WeakPolarHBondContact O-CB 3.45Å; V47-T51 PolarHBondContact O-N 2.79Å; V47-T51 PolarHBondContact O-OG1 3.44Å; A48-T51 WeakPolarHBondContact O-CB 3.39Å; A48-T51 PolarHBondContact O-N 3.46Å; C49-T51 VanDerWaalsContact C-N 3.32Å; C49-T51 PolarHBondContact O-N 3.3Å; T51-T54 CarbonylContact O-C 3.51Å; T51-T54 WeakPolarHBondContact O-CA 3.32Å; T51-T54 WeakPolarHBondContact O-CB 3.31Å; T51-T54 PolarHBondContact O-N 3.5Å; T51-T54 VanDerWaalsContact O-N 3.09Å; T51-K55 WeakPolarHBondContact O-CG 3.39Å; T51-K55 PolarHBondContact O-N 2.98Å; T51-Q80 PolarHBondContact OG1-NE2 2.91Å; T51-L157 HydrophobicContact CG2-CD2 3.29Å |
| 52 | E | 75.5 | Confident | 71.1 | Confident | 61 Ų | 61 | 42 Ų | 42 | 29% | 0.285 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.1 | -39.6 | -175.9 | -163.6 | 60.6 | -156.6 | 0 | 0 | 111.7 | A48 C49 T54 K55 T56 F486 | A48-E52 WeakPolarHBondContact O-CB 3.29Å; A48-E52 PolarHBondContact O-N 3.01Å; C49-E52 PolarHBondContact O-N 3.27Å; E52-T54 PolarHBondContact O-N 3.42Å; E52-K55 PolarHBondContact O-N 2.81Å; E52-K55 WeakPolarHBondContact OE2-CD 3.42Å; E52-K55 WeakPolarHBondContact OE2-CE 3.22Å; E52-K55 IonicContact OE2-NZ 3.97Å; E52-K55 PolarHBondContact OE2-NZ 2.97Å; E52-T56 WeakPolarHBondContact O-CG2 3.32Å; E52-T56 PolarHBondContact O-N 3.33Å; E52-T56 PolarHBondContact O-OG1 3.21Å; E52-F486 HydrophobicContact CB-CE1 4.5Å; E52-F486 HydrophobicContact CB-CZ 3.88Å; E52-F486 HydrophobicContact CG-CZ 3.86Å |
| 53 | C | 77.6 | Confident | 70.7 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -35.1 | 170.1 | -60 | 0 | 0 | 0 | 0 | 110.4 | C49 T56 V57 M65 L69 | C49-C53 VanDerWaalsContact O-CB 3.27Å; C49-C53 WeakPolarHBondContact O-CB 3.36Å; C49-C53 PolarHBondContact O-N 3.24Å; C49-C53 PolarHBondContact O-SG 3.39Å; C53-T56 WeakPolarHBondContact CA-OG1 3.48Å; C53-T56 PolarHBondContact O-N 3.49Å; C53-T56 PolarHBondContact O-OG1 3.04Å; C53-V57 VanDerWaalsContact O-CG2 3.29Å; C53-V57 WeakPolarHBondContact O-CG2 3.38Å; C53-V57 PolarHBondContact O-N 2.86Å; C53-M65 HydrophobicContact CB-CB 4.36Å; C53-M65 HydrophobicContact CB-CE 4.13Å; C53-M65 WeakPolarHBondContact SG-CE 3.33Å; C53-L69 HydrophobicContact CB-CD1 3.45Å; C53-L69 VanDerWaalsContact CB-CD1 3.45Å; C53-L69 HydrophobicContact CB-CD2 3.55Å; C53-L69 HydrophobicContact CB-CG 3.36Å; C53-L69 WeakPolarHBondContact O-CD1 3.13Å |
| 54 | T | 74.8 | Confident | 70.6 | Confident | 64 Ų | 64 | 39.5 Ų | 39.5 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -73.5 | -35.1 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | V50 T51 E52 T56 V57 L69 | V50-T54 VanDerWaalsContact O-CB 3.24Å; V50-T54 WeakPolarHBondContact O-CB 3.44Å; V50-T54 PolarHBondContact O-N 3.03Å; V50-T54 PolarHBondContact O-OG1 2.94Å; T51-T54 CarbonylContact O-C 3.51Å; T51-T54 WeakPolarHBondContact O-CA 3.32Å; T51-T54 WeakPolarHBondContact O-CB 3.31Å; T51-T54 PolarHBondContact O-N 3.5Å; T51-T54 VanDerWaalsContact O-N 3.09Å; E52-T54 PolarHBondContact O-N 3.42Å; T54-T56 VanDerWaalsContact C-N 3.33Å; T54-V57 WeakPolarHBondContact O-CB 3.41Å; T54-V57 PolarHBondContact O-N 3.49Å; T54-L69 WeakPolarHBondContact OG1-CD2 3.4Å |
| 55 | K | 69.3 | Low | 70.6 | Confident | 87 Ų | 87 | 40.2 Ų | 40.2 | 38% | 0.378 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 169.2 | -69.4 | -177.5 | -156.7 | 153.6 | 0 | 110 | T51 E52 | T51-K55 WeakPolarHBondContact O-CG 3.39Å; T51-K55 PolarHBondContact O-N 2.98Å; E52-K55 PolarHBondContact O-N 2.81Å; E52-K55 WeakPolarHBondContact OE2-CD 3.42Å; E52-K55 WeakPolarHBondContact OE2-CE 3.22Å; E52-K55 IonicContact OE2-NZ 3.97Å; E52-K55 PolarHBondContact OE2-NZ 2.97Å |
| 56 | T | 62 | Low | 70.2 | Confident | 37 Ų | 37 | 37.7 Ų | 37.7 | 23% | 0.227 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 175.9 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | E52 C53 T54 K58 S59 V60 | E52-T56 WeakPolarHBondContact O-CG2 3.32Å; E52-T56 PolarHBondContact O-N 3.33Å; E52-T56 PolarHBondContact O-OG1 3.21Å; C53-T56 WeakPolarHBondContact CA-OG1 3.48Å; C53-T56 PolarHBondContact O-N 3.49Å; C53-T56 PolarHBondContact O-OG1 3.04Å; T54-T56 VanDerWaalsContact C-N 3.33Å; T56-K58 CarbonylContact O-C 3.6Å; T56-K58 WeakPolarHBondContact O-CA 3.39Å; T56-K58 PolarHBondContact O-N 3.27Å; T56-S59 WeakPolarHBondContact O-CA 3.34Å; T56-S59 PolarHBondContact O-N 2.86Å; T56-S59 PolarHBondContact O-OG 3.4Å; T56-V60 WeakPolarHBondContact O-CG2 3.35Å |
| 57 | V | 55.4 | Low | 70.2 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 24% | 0.242 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -32.8 | -30.1 | -173.7 | 154.3 | 0 | 0 | 0 | 0 | 117.9 | C53 T54 S59 V60 L66 L69 A853 R856 | C53-V57 VanDerWaalsContact O-CG2 3.29Å; C53-V57 WeakPolarHBondContact O-CG2 3.38Å; C53-V57 PolarHBondContact O-N 2.86Å; T54-V57 WeakPolarHBondContact O-CB 3.41Å; T54-V57 PolarHBondContact O-N 3.49Å; V57-S59 PolarHBondContact O-N 3.26Å; V57-V60 VanDerWaalsContact C-CG2 3.48Å; V57-L66 HydrophobicContact CG2-CD1 4.36Å; V57-L66 HydrophobicContact CG2-CG 4.4Å; V57-L69 HydrophobicContact CG2-CD1 3.3Å; V57-A853 HydrophobicContact CB-CB 4.05Å; V57-A853 HydrophobicContact CG1-CB 4.16Å; V57-A853 HydrophobicContact CG2-CB 3.66Å; V57-R856 PolarHBondContact O-NH1 2.86Å |
| 58 | K | 51.3 | Low | 70.3 | Confident | 170 Ų | 170 | 36.5 Ų | 36.5 | 74% | 0.739 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -70.5 | 1.1 | 168 | -63.3 | -175.6 | 178.8 | 179.3 | 0 | 115.1 | T56 K860 | T56-K58 CarbonylContact O-C 3.6Å; T56-K58 WeakPolarHBondContact O-CA 3.39Å; T56-K58 PolarHBondContact O-N 3.27Å; K58-K860 WeakPolarHBondContact O-CE 3.38Å; K58-K860 PolarHBondContact O-NZ 3.45Å |
| 59 | S | 49.6 | Very low | 70.4 | Confident | 21 Ų | 21 | 36 Ų | 36 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -149 | 49.3 | -173 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | T56 V57 R856 A857 K860 | T56-S59 WeakPolarHBondContact O-CA 3.34Å; T56-S59 PolarHBondContact O-N 2.86Å; T56-S59 PolarHBondContact O-OG 3.4Å; V57-S59 PolarHBondContact O-N 3.26Å; S59-R856 CarbonylContact C-O 3.6Å; S59-R856 WeakPolarHBondContact CA-O 3.49Å; S59-R856 CarbonylContact O-C 3.56Å; S59-A857 WeakPolarHBondContact O-CA 3.3Å; S59-A857 WeakPolarHBondContact O-CB 3.1Å; S59-A857 PolarHBondContact O-N 2.66Å; S59-K860 VanDerWaalsContact CB-CE 3.44Å |
| 60 | V | 48.9 | Very low | 70.4 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | trans | -168.6 | 0 | -166.8 | -106.9 | 0 | 0 | 0 | 0 | 108.2 | T56 V57 M65 A853 N854 R856 A857 | T56-V60 WeakPolarHBondContact O-CG2 3.35Å; V57-V60 VanDerWaalsContact C-CG2 3.48Å; V60-M65 HydrophobicContact CG1-SD 3.96Å; V60-A853 HydrophobicContact CB-CB 3.6Å; V60-A853 HydrophobicContact CG2-CB 3.77Å; V60-A853 WeakPolarHBondContact O-CA 3.45Å; V60-A853 WeakPolarHBondContact O-CB 3.44Å; V60-N854 VanDerWaalsContact CA-CA 3.49Å; V60-N854 HydrophobicContact CB-CB 3.76Å; V60-N854 HydrophobicContact CG1-CB 3.2Å; V60-N854 WeakPolarHBondContact CG1-OD1 3.33Å; V60-R856 VanDerWaalsContact N-CA 3.35Å; V60-R856 WeakPolarHBondContact O-CB 3.49Å; V60-R856 WeakPolarHBondContact O-CD 3.19Å; V60-R856 WeakPolarHBondContact O-CG 3.32Å; V60-R856 PolarHBondContact O-N 3.45Å; V60-A857 HydrophobicContact CB-CB 4.43Å; V60-A857 HydrophobicContact CG1-CB 3.82Å | ||
| 61 | K | 55.5 | Low | 70.6 | Confident | 61 Ų | 61 | 39.4 Ų | 39.4 | 27% | 0.265 | 19% | 0.192 | S | C | . | . | 0 | -84 | 0 | 149.1 | 147.2 | -115.1 | 70.4 | 0 | 132.8 | E63 C851 R852 A853 N854 Q855 | K61-E63 IonicContact NZ-OE1 2.91Å; K61-E63 PolarHBondContact NZ-OE1 2.6Å; K61-C851 WeakPolarHBondContact CB-O 3.48Å; K61-C851 WeakPolarHBondContact CD-O 3.48Å; K61-C851 WeakPolarHBondContact CE-O 3.23Å; K61-C851 PolarHBondContact NZ-O 3.45Å; K61-C851 CarbonylContact O-C 3.55Å; K61-C851 WeakPolarHBondContact O-CA 3.3Å; K61-R852 WeakPolarHBondContact CB-O 3.44Å; K61-R852 PolarHBondContact N-O 3.24Å; K61-A853 CarbonylContact C-O 3.14Å; K61-A853 WeakPolarHBondContact CA-O 3.44Å; K61-A853 PolarHBondContact N-O 2.66Å; K61-A853 VanDerWaalsContact N-O 3.08Å; K61-N854 VanDerWaalsContact CA-C 3.48Å; K61-Q855 VanDerWaalsContact CA-CB 3.42Å; K61-Q855 HydrophobicContact CB-CB 4.33Å; K61-Q855 HydrophobicContact CG-CB 4.03Å; K61-Q855 HydrophobicContact CG-CG 4.24Å | |||
| 62 | N | 69.1 | Low | 70.9 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -34.4 | 146.5 | 170.6 | 118.3 | 19 | 0 | 0 | 0 | 117.3 | N64 F650 A853 N854 | N62-N64 VanDerWaalsContact C-N 3.28Å; N62-N64 PolarHBondContact O-N 2.64Å; N62-N64 VanDerWaalsContact O-N 3.09Å; N62-N64 PolarHBondContact OD1-N 3.28Å; N62-F650 HydrophobicContact CB-CE1 3.94Å; N62-F650 HydrophobicContact CB-CE2 3.76Å; N62-F650 HydrophobicContact CB-CZ 3.4Å; N62-F650 VanDerWaalsContact CB-CZ 3.4Å; N62-F650 WeakPolarHBondContact ND2-CD1 3.49Å; N62-F650 WeakPolarHBondContact ND2-CD2 3.27Å; N62-F650 WeakPolarHBondContact ND2-CE1 3.31Å; N62-F650 WeakPolarHBondContact ND2-CE2 3.45Å; N62-F650 VanDerWaalsContact ND2-CG 3.31Å; N62-F650 WeakPolarHBondContact ND2-CG 3.42Å; N62-F650 VanDerWaalsContact ND2-CZ 3.34Å; N62-F650 WeakPolarHBondContact ND2-CZ 3.27Å; N62-A853 VanDerWaalsContact O-O 3.04Å; N62-N854 HydrophobicContact CB-CB 3.93Å; N62-N854 WeakPolarHBondContact CB-O 3.48Å; N62-N854 VanDerWaalsContact CG-CB 3.49Å; N62-N854 PolarHBondContact N-O 3.08Å; N62-N854 WeakPolarHBondContact O-CA 3.47Å; N62-N854 VanDerWaalsContact O-CB 3.31Å; N62-N854 WeakPolarHBondContact O-CB 3.24Å; N62-N854 PolarHBondContact O-ND2 3.02Å |
| 63 | E | 73.5 | Confident | 71.3 | Confident | 67 Ų | 67 | 39.8 Ų | 39.8 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -91.7 | 10.6 | -151.4 | -42.7 | -140.7 | 143.3 | 0 | 0 | 114.3 | K61 M657 Y847 S850 C851 | K61-E63 IonicContact NZ-OE1 2.91Å; K61-E63 PolarHBondContact NZ-OE1 2.6Å; E63-M657 WeakPolarHBondContact O-CE 3.21Å; E63-Y847 HydrophobicContact CB-CE2 4.41Å; E63-Y847 VanDerWaalsContact CB-OH 3.31Å; E63-Y847 WeakPolarHBondContact CB-OH 3.17Å; E63-Y847 WeakPolarHBondContact O-CE2 3.47Å; E63-Y847 PolarHBondContact OE2-OH 3.2Å; E63-S850 WeakPolarHBondContact O-CB 3.2Å; E63-S850 PolarHBondContact O-OG 3.05Å; E63-C851 HydrophobicContact CB-CB 4.47Å; E63-C851 HydrophobicContact CG-CB 4.18Å; E63-C851 WeakPolarHBondContact OE1-CB 3.5Å; E63-C851 PolarHBondContact OE2-SG 3.3Å |
| 64 | N | 78.7 | Confident | 71.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -135.2 | -18.5 | -156.8 | -77.5 | -46 | 0 | 0 | 0 | 117.5 | N62 L66 V653 H654 M657 E658 S850 | N62-N64 VanDerWaalsContact C-N 3.28Å; N62-N64 PolarHBondContact O-N 2.64Å; N62-N64 VanDerWaalsContact O-N 3.09Å; N62-N64 PolarHBondContact OD1-N 3.28Å; N64-L66 PolarHBondContact O-N 3.04Å; N64-L66 VanDerWaalsContact O-N 3.13Å; N64-V653 CarbonylContact C-O 3.37Å; N64-V653 WeakPolarHBondContact CB-O 3.37Å; N64-H654 VanDerWaalsContact CB-CA 3.44Å; N64-H654 HydrophobicContact CB-CB 4.35Å; N64-H654 WeakPolarHBondContact CB-O 3.48Å; N64-H654 PolarHBondContact ND2-CE1 3.31Å; N64-H654 PolarHBondContact ND2-ND1 2.88Å; N64-H654 PolarHBondContact ND2-NE2 3.33Å; N64-M657 WeakPolarHBondContact CA-SD 3.31Å; N64-M657 HydrophobicContact CB-CB 3.92Å; N64-M657 HydrophobicContact CB-SD 4.42Å; N64-M657 WeakPolarHBondContact O-CB 3.48Å; N64-M657 VanDerWaalsContact O-CG 3.27Å; N64-M657 WeakPolarHBondContact O-CG 3.41Å; N64-M657 WeakPolarHBondContact OD1-CE 3.42Å; N64-E658 VanDerWaalsContact ND2-CD 3.31Å; N64-E658 WeakPolarHBondContact ND2-CG 3.49Å; N64-E658 PolarHBondContact ND2-OE1 2.95Å; N64-E658 PolarHBondContact OD1-N 3.12Å; N64-E658 VanDerWaalsContact OD1-N 3.11Å; N64-S850 PolarHBondContact N-OG 3.21Å |
| 65 | M | 75.3 | Confident | 71.8 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -69.9 | -5.5 | 165.2 | -34.8 | 177.4 | 50.5 | 0 | 0 | 113.3 | C53 V60 L69 V653 N854 | C53-M65 HydrophobicContact CB-CB 4.36Å; C53-M65 HydrophobicContact CB-CE 4.13Å; C53-M65 WeakPolarHBondContact SG-CE 3.33Å; V60-M65 HydrophobicContact CG1-SD 3.96Å; M65-L69 WeakPolarHBondContact O-CG 3.49Å; M65-L69 PolarHBondContact O-N 3.15Å; M65-L69 VanDerWaalsContact O-N 3.1Å; M65-V653 HydrophobicContact CB-CB 4.38Å; M65-V653 HydrophobicContact CB-CG1 3.75Å; M65-V653 HydrophobicContact CG-CB 3.91Å; M65-V653 HydrophobicContact CG-CG1 3.85Å; M65-N854 WeakPolarHBondContact CA-ND2 3.42Å; M65-N854 HydrophobicContact CB-CB 4.09Å; M65-N854 WeakPolarHBondContact CB-ND2 3.29Å; M65-N854 VanDerWaalsContact CB-OD1 3.32Å; M65-N854 WeakPolarHBondContact CB-OD1 3.44Å; M65-N854 HydrophobicContact CG-CB 3.53Å; M65-N854 PolarHBondContact N-ND2 2.79Å; M65-N854 HydrophobicContact SD-CB 3.69Å |
| 66 | L | 73.5 | Confident | 72.2 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -138.6 | 0.6 | -150.7 | -166.4 | -165.6 | 0 | 0 | 0 | 117.5 | V57 N64 L69 Q70 K849 S850 A853 N854 | V57-L66 HydrophobicContact CG2-CD1 4.36Å; V57-L66 HydrophobicContact CG2-CG 4.4Å; N64-L66 PolarHBondContact O-N 3.04Å; N64-L66 VanDerWaalsContact O-N 3.13Å; L66-L69 VanDerWaalsContact CA-N 3.31Å; L66-L69 HydrophobicContact CB-CB 3.97Å; L66-L69 HydrophobicContact CB-CD1 3.82Å; L66-L69 HydrophobicContact CB-CG 4.31Å; L66-L69 HydrophobicContact CD1-CD1 4.45Å; L66-L69 HydrophobicContact CD2-CB 3.91Å; L66-L69 HydrophobicContact CD2-CD1 4.29Å; L66-L69 HydrophobicContact CG-CB 3.8Å; L66-L69 HydrophobicContact CG-CD1 3.51Å; L66-L69 HydrophobicContact CG-CG 4.25Å; L66-Q70 HydrophobicContact CD2-CB 4.06Å; L66-Q70 WeakPolarHBondContact O-CB 3.35Å; L66-Q70 PolarHBondContact O-N 2.95Å; L66-K849 WeakPolarHBondContact CD1-O 3.44Å; L66-K849 HydrophobicContact CD2-CB 4.5Å; L66-K849 WeakPolarHBondContact CD2-O 3.49Å; L66-S850 VanDerWaalsContact CA-OG 3.24Å; L66-S850 WeakPolarHBondContact CA-OG 3.44Å; L66-S850 WeakPolarHBondContact CB-OG 3.22Å; L66-S850 PolarHBondContact N-OG 3.25Å; L66-A853 VanDerWaalsContact CD1-C 3.44Å; L66-A853 HydrophobicContact CD1-CB 3.03Å; L66-A853 HydrophobicContact CG-CB 4.24Å; L66-N854 WeakPolarHBondContact CB-ND2 3.43Å; L66-N854 PolarHBondContact N-ND2 3.03Å |
| 67 | A | 81 | Confident | 73 | Confident | 6 Ų | 6 | 42 Ų | 42 | 5% | 0.05 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -95.6 | -12.5 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | R71 M657 H846 Y847 S850 | A67-R71 PolarHBondContact O-N 3.43Å; A67-M657 WeakPolarHBondContact CA-SD 3.36Å; A67-M657 HydrophobicContact CB-CE 3.43Å; A67-M657 VanDerWaalsContact CB-CE 3.43Å; A67-M657 HydrophobicContact CB-CG 4.4Å; A67-M657 HydrophobicContact CB-SD 3.19Å; A67-M657 WeakPolarHBondContact CB-SD 3.33Å; A67-M657 PolarHBondContact N-SD 2.91Å; A67-H846 VanDerWaalsContact C-ND1 3.26Å; A67-H846 WeakPolarHBondContact CA-CE1 3.47Å; A67-H846 VanDerWaalsContact CA-ND1 3.3Å; A67-H846 WeakPolarHBondContact CA-ND1 3.21Å; A67-H846 WeakPolarHBondContact CB-CE1 3.4Å; A67-H846 PolarHBondContact O-CE1 2.84Å; A67-H846 PolarHBondContact O-ND1 3.05Å; A67-H846 PolarHBondContact O-NE2 3.47Å; A67-Y847 HydrophobicContact CB-CD2 3.86Å; A67-Y847 HydrophobicContact CB-CG 4.36Å; A67-S850 PolarHBondContact N-OG 3.3Å |
| 68 | F | 83.7 | Confident | 74.1 | Confident | 18 Ų | 18 | 42.4 Ų | 42.4 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -55.3 | 146.7 | 172.8 | -95.6 | 0 | 0 | 0 | 108.6 | C49 V50 F72 M657 H846 | C49-F68 VanDerWaalsContact C-CE1 3.48Å; C49-F68 HydrophobicContact CB-CE1 3.56Å; C49-F68 HydrophobicContact CB-CE2 4.38Å; C49-F68 HydrophobicContact CB-CZ 3.36Å; V50-F68 HydrophobicContact CB-CE1 4.45Å; V50-F68 HydrophobicContact CG2-CE1 3.71Å; V50-F68 HydrophobicContact CG2-CZ 3.73Å; F68-F72 AromaticContact CD2-CD2 3.44Å; F68-F72 HydrophobicContact CD2-CD2 3.44Å; F68-F72 VanDerWaalsContact CD2-CD2 3.44Å; F68-F72 AromaticContact CD2-CE2 3.84Å; F68-F72 HydrophobicContact CD2-CE2 3.84Å; F68-F72 HydrophobicContact CD2-CG 4.41Å; F68-F72 HydrophobicContact CE2-CB 4.37Å; F68-F72 AromaticContact CE2-CD2 3.46Å; F68-F72 HydrophobicContact CE2-CD2 3.46Å; F68-F72 VanDerWaalsContact CE2-CD2 3.46Å; F68-F72 AromaticContact CE2-CE2 3.97Å; F68-F72 HydrophobicContact CE2-CE2 3.97Å; F68-F72 HydrophobicContact CE2-CG 4.06Å; F68-F72 HydrophobicContact CG-CD2 4.38Å; F68-F72 HydrophobicContact CZ-CD2 4.41Å; F68-F72 WeakPolarHBondContact O-CB 3.29Å; F68-F72 PolarHBondContact O-N 3.18Å; F68-M657 HydrophobicContact CB-CB 4.44Å; F68-M657 HydrophobicContact CB-CG 3.87Å; F68-M657 HydrophobicContact CB-SD 4.44Å; F68-M657 PolarHBondContact N-SD 2.88Å; F68-H846 PolarHBondContact O-NE2 2.89Å |
| 69 | L | 82.4 | Confident | 75.4 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.2 | -66 | 175.5 | -80.5 | 162.4 | 0 | 0 | 0 | 113.3 | V50 C53 T54 V57 M65 L66 F72 L73 H846 | V50-L69 HydrophobicContact CB-CD2 4.26Å; V50-L69 HydrophobicContact CG1-CD2 3.84Å; V50-L69 WeakPolarHBondContact O-CD2 3.35Å; C53-L69 HydrophobicContact CB-CD1 3.45Å; C53-L69 VanDerWaalsContact CB-CD1 3.45Å; C53-L69 HydrophobicContact CB-CD2 3.55Å; C53-L69 HydrophobicContact CB-CG 3.36Å; C53-L69 WeakPolarHBondContact O-CD1 3.13Å; T54-L69 WeakPolarHBondContact OG1-CD2 3.4Å; V57-L69 HydrophobicContact CG2-CD1 3.3Å; M65-L69 WeakPolarHBondContact O-CG 3.49Å; M65-L69 PolarHBondContact O-N 3.15Å; M65-L69 VanDerWaalsContact O-N 3.1Å; L66-L69 VanDerWaalsContact CA-N 3.31Å; L66-L69 HydrophobicContact CB-CB 3.97Å; L66-L69 HydrophobicContact CB-CD1 3.82Å; L66-L69 HydrophobicContact CB-CG 4.31Å; L66-L69 HydrophobicContact CD1-CD1 4.45Å; L66-L69 HydrophobicContact CD2-CB 3.91Å; L66-L69 HydrophobicContact CD2-CD1 4.29Å; L66-L69 HydrophobicContact CG-CB 3.8Å; L66-L69 HydrophobicContact CG-CD1 3.51Å; L66-L69 HydrophobicContact CG-CG 4.25Å; L69-F72 CarbonylContact O-C 3.43Å; L69-L73 WeakPolarHBondContact O-CA 3.07Å; L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 PolarHBondContact O-N 2.72Å; L69-H846 PolarHBondContact O-NE2 3.11Å |
| 70 | Q | 81 | Confident | 76.6 | Confident | 52 Ų | 52 | 38.4 Ų | 38.4 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.9 | -7.4 | 179.6 | -143.3 | 148.5 | 169.4 | 0 | 0 | 121 | L66 L73 H846 K849 | L66-Q70 HydrophobicContact CD2-CB 4.06Å; L66-Q70 WeakPolarHBondContact O-CB 3.35Å; L66-Q70 PolarHBondContact O-N 2.95Å; Q70-L73 HydrophobicContact CG-CD2 4.35Å; Q70-H846 WeakPolarHBondContact CA-CD2 3.46Å; Q70-H846 WeakPolarHBondContact CA-CE1 3.36Å; Q70-H846 WeakPolarHBondContact CA-ND1 3.35Å; Q70-H846 WeakPolarHBondContact CA-NE2 3.33Å; Q70-H846 HydrophobicContact CB-CB 3.68Å; Q70-H846 WeakPolarHBondContact CB-CD2 3.07Å; Q70-H846 WeakPolarHBondContact CB-ND1 3.3Å; Q70-H846 HydrophobicContact CG-CB 4.2Å; Q70-H846 WeakPolarHBondContact CG-CD2 3.35Å; Q70-H846 VanDerWaalsContact CG-CG 3.44Å; Q70-H846 PolarHBondContact N-CE1 3.04Å; Q70-H846 PolarHBondContact N-ND1 2.99Å; Q70-H846 PolarHBondContact N-NE2 3.16Å; Q70-H846 WeakPolarHBondContact O-CB 3.45Å; Q70-H846 PolarHBondContact O-CD2 2.86Å; Q70-H846 PolarHBondContact O-ND1 2.62Å; Q70-K849 VanDerWaalsContact OE1-CD 3.24Å; Q70-K849 VanDerWaalsContact OE1-CE 3.28Å |
| 71 | R | 85.5 | Confident | 77.8 | Confident | 75 Ų | 75 | 41.3 Ų | 41.3 | 28% | 0.283 | 22% | 0.216 | S | C | . | . | H | α-helix | -40.3 | -72.6 | 113.8 | -150 | 166.8 | -152.3 | 144.4 | 8.2 | 114.8 | A67 V75 Q660 L843 H846 | A67-R71 PolarHBondContact O-N 3.43Å; R71-V75 WeakPolarHBondContact O-CG2 3.23Å; R71-Q660 PolarHBondContact NH1-O 3.45Å; R71-L843 HydrophobicContact CB-CD1 3.97Å; R71-L843 HydrophobicContact CG-CD1 4.17Å; R71-H846 WeakPolarHBondContact CA-NE2 3.13Å; R71-H846 PolarHBondContact N-CE1 3.45Å; R71-H846 PolarHBondContact N-ND1 3.31Å; R71-H846 PolarHBondContact N-NE2 3.37Å | |
| 72 | F | 85.6 | Confident | 78.8 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 21% | 0.211 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -89.7 | -9.5 | -167.6 | -53 | -73.6 | 0 | 0 | 0 | 121.7 | V46 V50 F68 L69 V75 A76 H846 | V46-F72 HydrophobicContact CG1-CB 4.18Å; V46-F72 HydrophobicContact CG1-CD1 3.89Å; V46-F72 HydrophobicContact CG1-CG 4.23Å; V50-F72 HydrophobicContact CG2-CB 3.77Å; F68-F72 AromaticContact CD2-CD2 3.44Å; F68-F72 HydrophobicContact CD2-CD2 3.44Å; F68-F72 VanDerWaalsContact CD2-CD2 3.44Å; F68-F72 AromaticContact CD2-CE2 3.84Å; F68-F72 HydrophobicContact CD2-CE2 3.84Å; F68-F72 HydrophobicContact CD2-CG 4.41Å; F68-F72 HydrophobicContact CE2-CB 4.37Å; F68-F72 AromaticContact CE2-CD2 3.46Å; F68-F72 HydrophobicContact CE2-CD2 3.46Å; F68-F72 VanDerWaalsContact CE2-CD2 3.46Å; F68-F72 AromaticContact CE2-CE2 3.97Å; F68-F72 HydrophobicContact CE2-CE2 3.97Å; F68-F72 HydrophobicContact CE2-CG 4.06Å; F68-F72 HydrophobicContact CG-CD2 4.38Å; F68-F72 HydrophobicContact CZ-CD2 4.41Å; F68-F72 WeakPolarHBondContact O-CB 3.29Å; F68-F72 PolarHBondContact O-N 3.18Å; L69-F72 CarbonylContact O-C 3.43Å; F72-V75 CarbonylContact O-C 3.39Å; F72-V75 PolarHBondContact O-N 3.46Å; F72-A76 WeakPolarHBondContact O-CB 3.44Å; F72-A76 PolarHBondContact O-N 3.46Å; F72-H846 WeakPolarHBondContact CA-NE2 3.48Å; F72-H846 PolarHBondContact N-NE2 2.96Å |
| 73 | L | 82.9 | Confident | 79.2 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.5 | -48.8 | -176.4 | 175 | 64.6 | 0 | 0 | 0 | 108.6 | V50 L69 Q70 V75 A76 V77 H846 | V50-L73 HydrophobicContact CG1-CD1 3.79Å; L69-L73 WeakPolarHBondContact O-CA 3.07Å; L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 PolarHBondContact O-N 2.72Å; Q70-L73 HydrophobicContact CG-CD2 4.35Å; L73-V75 PolarHBondContact O-N 3.23Å; L73-A76 PolarHBondContact O-N 2.76Å; L73-V77 HydrophobicContact CD1-CG2 3.7Å; L73-V77 HydrophobicContact CG-CG2 4.11Å; L73-V77 VanDerWaalsContact O-CB 3.28Å; L73-V77 WeakPolarHBondContact O-CB 3.41Å; L73-V77 VanDerWaalsContact O-CG2 3.26Å; L73-V77 WeakPolarHBondContact O-CG2 3.25Å; L73-V77 PolarHBondContact O-N 3.06Å; L73-H846 PolarHBondContact N-NE2 2.99Å |
| 74 | N | 82.8 | Confident | 79.6 | Confident | 98 Ų | 98 | 48.5 Ų | 48.5 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -39.5 | 176.1 | -67.1 | -6 | 0 | 0 | 0 | 110.1 | C78 | N74-C78 WeakPolarHBondContact O-CB 3.5Å; N74-C78 PolarHBondContact O-N 2.96Å |
| 75 | V | 80.3 | Confident | 79.8 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.7 | -48.5 | 175.3 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | R71 F72 L73 C78 L79 | R71-V75 WeakPolarHBondContact O-CG2 3.23Å; F72-V75 CarbonylContact O-C 3.39Å; F72-V75 PolarHBondContact O-N 3.46Å; L73-V75 PolarHBondContact O-N 3.23Å; V75-C78 WeakPolarHBondContact O-CB 3.3Å; V75-C78 PolarHBondContact O-N 2.65Å; V75-L79 HydrophobicContact CG1-CD1 3.9Å; V75-L79 HydrophobicContact CG1-CG 4.4Å; V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 VanDerWaalsContact O-CG 3.23Å; V75-L79 WeakPolarHBondContact O-CG 3.18Å; V75-L79 PolarHBondContact O-N 3.46Å |
| 76 | A | 78.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.7 | -33.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | V47 V50 F72 L73 Q80 | V47-A76 HydrophobicContact CG2-CB 4.24Å; V50-A76 HydrophobicContact CB-CB 3.71Å; V50-A76 HydrophobicContact CG1-CB 3.71Å; V50-A76 HydrophobicContact CG2-CB 3.77Å; F72-A76 WeakPolarHBondContact O-CB 3.44Å; F72-A76 PolarHBondContact O-N 3.46Å; L73-A76 PolarHBondContact O-N 2.76Å; A76-Q80 VanDerWaalsContact O-CB 3.23Å; A76-Q80 WeakPolarHBondContact O-CB 3.39Å; A76-Q80 WeakPolarHBondContact O-CG 3.32Å; A76-Q80 PolarHBondContact O-N 2.77Å |
| 77 | V | 78.7 | Confident | 81.1 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 169.5 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | L73 Q80 S81 | L73-V77 HydrophobicContact CD1-CG2 3.7Å; L73-V77 HydrophobicContact CG-CG2 4.11Å; L73-V77 VanDerWaalsContact O-CB 3.28Å; L73-V77 WeakPolarHBondContact O-CB 3.41Å; L73-V77 VanDerWaalsContact O-CG2 3.26Å; L73-V77 WeakPolarHBondContact O-CG2 3.25Å; L73-V77 PolarHBondContact O-N 3.06Å; V77-Q80 CarbonylContact O-C 3.14Å; V77-Q80 PolarHBondContact O-N 2.97Å; V77-S81 WeakPolarHBondContact O-CB 3.25Å; V77-S81 PolarHBondContact O-N 3.33Å |
| 78 | C | 79.1 | Confident | 81.5 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 174.1 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | N74 V75 Q80 S81 Y82 | N74-C78 WeakPolarHBondContact O-CB 3.5Å; N74-C78 PolarHBondContact O-N 2.96Å; V75-C78 WeakPolarHBondContact O-CB 3.3Å; V75-C78 PolarHBondContact O-N 2.65Å; C78-Q80 PolarHBondContact O-N 3.28Å; C78-S81 WeakPolarHBondContact O-CA 3.3Å; C78-S81 WeakPolarHBondContact O-CB 3.27Å; C78-S81 PolarHBondContact O-N 2.8Å; C78-S81 PolarHBondContact O-OG 2.96Å; C78-Y82 VanDerWaalsContact O-CD2 3.26Å; C78-Y82 WeakPolarHBondContact O-CD2 3.32Å; C78-Y82 PolarHBondContact O-N 3.16Å; C78-Y82 WeakPolarHBondContact SG-CE2 3.45Å |
| 79 | L | 77.8 | Confident | 82 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 172.4 | -71.4 | 167.3 | 0 | 0 | 0 | 111.9 | L43 V47 V75 S81 Y82 R83 | L43-L79 HydrophobicContact CD1-CD2 4.21Å; L43-L79 HydrophobicContact CD2-CD1 3.81Å; L43-L79 HydrophobicContact CD2-CD2 4Å; V47-L79 HydrophobicContact CG2-CB 3.91Å; V47-L79 HydrophobicContact CG2-CD1 4.04Å; V75-L79 HydrophobicContact CG1-CD1 3.9Å; V75-L79 HydrophobicContact CG1-CG 4.4Å; V75-L79 WeakPolarHBondContact O-CB 3.32Å; V75-L79 VanDerWaalsContact O-CG 3.23Å; V75-L79 WeakPolarHBondContact O-CG 3.18Å; V75-L79 PolarHBondContact O-N 3.46Å; L79-S81 PolarHBondContact O-N 2.94Å; L79-Y82 PolarHBondContact O-N 2.94Å; L79-R83 WeakPolarHBondContact O-CB 3.4Å; L79-R83 WeakPolarHBondContact O-CD 3.39Å; L79-R83 VanDerWaalsContact O-CG 3.25Å; L79-R83 WeakPolarHBondContact O-CG 3.36Å; L79-R83 PolarHBondContact O-N 3.24Å |
| 80 | Q | 74.7 | Confident | 82.5 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 34% | 0.341 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.4 | -25.1 | 171.8 | -77.3 | 174.2 | -9.5 | 0 | 0 | 112.5 | V47 T51 A76 V77 C78 K85 | V47-Q80 HydrophobicContact CG1-CG 3.71Å; T51-Q80 PolarHBondContact OG1-NE2 2.91Å; A76-Q80 VanDerWaalsContact O-CB 3.23Å; A76-Q80 WeakPolarHBondContact O-CB 3.39Å; A76-Q80 WeakPolarHBondContact O-CG 3.32Å; A76-Q80 PolarHBondContact O-N 2.77Å; V77-Q80 CarbonylContact O-C 3.14Å; V77-Q80 PolarHBondContact O-N 2.97Å; C78-Q80 PolarHBondContact O-N 3.28Å; Q80-K85 WeakPolarHBondContact O-CE 3.29Å |
| 81 | S | 75 | Confident | 83.1 | Confident | 64 Ų | 64 | 65.9 Ų | 65.9 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -79.7 | -28.9 | 177.2 | 80.2 | 0 | 0 | 0 | 0 | 113.5 | V77 C78 L79 | V77-S81 WeakPolarHBondContact O-CB 3.25Å; V77-S81 PolarHBondContact O-N 3.33Å; C78-S81 WeakPolarHBondContact O-CA 3.3Å; C78-S81 WeakPolarHBondContact O-CB 3.27Å; C78-S81 PolarHBondContact O-N 2.8Å; C78-S81 PolarHBondContact O-OG 2.96Å; L79-S81 PolarHBondContact O-N 2.94Å |
| 82 | Y | 75.5 | Confident | 83.4 | Confident | 192 Ų | 192 | 65.3 Ų | 65.3 | 75% | 0.753 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -89.7 | -19.3 | 174.9 | -63.3 | -51 | 0 | 0 | 0 | 114 | C78 L79 | C78-Y82 VanDerWaalsContact O-CD2 3.26Å; C78-Y82 WeakPolarHBondContact O-CD2 3.32Å; C78-Y82 PolarHBondContact O-N 3.16Å; C78-Y82 WeakPolarHBondContact SG-CE2 3.45Å; L79-Y82 PolarHBondContact O-N 2.94Å |
| 83 | R | 77.5 | Confident | 83.6 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 14% | 0.143 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -79.8 | 150.2 | 176.1 | -78.5 | 168.7 | 160.8 | -142.2 | -6.4 | 111.5 | E40 D44 L79 K85 | E40-R83 PolarHBondContact O-NH2 2.91Å; E40-R83 VanDerWaalsContact O-NH2 3.16Å; E40-R83 IonicContact OE2-CZ 2.76Å; E40-R83 IonicContact OE2-NE 2.7Å; E40-R83 IonicContact OE2-NH2 2.7Å; E40-R83 PolarHBondContact OE2-NH2 2.97Å; D44-R83 IonicContact OD1-CZ 3.22Å; D44-R83 IonicContact OD1-NH1 3.16Å; D44-R83 PolarHBondContact OD1-NH1 3.48Å; D44-R83 IonicContact OD1-NH2 2.8Å; D44-R83 PolarHBondContact OD1-NH2 3.28Å; L79-R83 WeakPolarHBondContact O-CB 3.4Å; L79-R83 WeakPolarHBondContact O-CD 3.39Å; L79-R83 VanDerWaalsContact O-CG 3.25Å; L79-R83 WeakPolarHBondContact O-CG 3.36Å; L79-R83 PolarHBondContact O-N 3.24Å; R83-K85 WeakPolarHBondContact O-CG 3.32Å |
| 84 | R | 82.3 | Confident | 83.8 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 22% | 0.219 | 33% | 0.326 | C | S | . | . | trans | -60.9 | 146.9 | 179.8 | -65.7 | -60.4 | -163.5 | 143.6 | 12.9 | 112.5 | D88 E108 Y152 Y154 | R84-D88 VanDerWaalsContact CA-OD2 3.25Å; R84-D88 WeakPolarHBondContact CA-OD2 3.47Å; R84-D88 VanDerWaalsContact CD-OD2 3.31Å; R84-D88 WeakPolarHBondContact CD-OD2 3.49Å; R84-E108 IonicContact CZ-OE1 3.77Å; R84-E108 IonicContact NH1-OE1 3.45Å; R84-E108 PolarHBondContact NH1-OE1 3.13Å; R84-E108 IonicContact NH2-OE1 3.76Å; R84-E108 PolarHBondContact NH2-OE1 3.46Å; R84-Y152 VanDerWaalsContact NH2-CZ 3.33Å; R84-Y152 PolarHBondContact NH2-OH 3.01Å; R84-Y154 HydrophobicContact CB-CD1 3.6Å; R84-Y154 HydrophobicContact CB-CD2 4.5Å; R84-Y154 HydrophobicContact CB-CE1 4.1Å; R84-Y154 HydrophobicContact CB-CG 3.83Å; R84-Y154 WeakPolarHBondContact O-CD2 3.42Å | ||
| 85 | K | 83 | Confident | 84.1 | Confident | 81 Ų | 81 | 59.7 Ų | 59.7 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | trans | -141.4 | 166.1 | -177.1 | -46.8 | 177 | -173.3 | 158 | 0 | 111.7 | Q80 R83 E87 D88 F89 Y154 | Q80-K85 WeakPolarHBondContact O-CE 3.29Å; R83-K85 WeakPolarHBondContact O-CG 3.32Å; K85-E87 WeakPolarHBondContact CB-OE2 3.35Å; K85-E87 PolarHBondContact O-N 3.08Å; K85-D88 PolarHBondContact N-OD2 3.17Å; K85-D88 WeakPolarHBondContact O-CB 3.31Å; K85-D88 PolarHBondContact O-N 3.48Å; K85-D88 VanDerWaalsContact O-N 3.15Å; K85-F89 WeakPolarHBondContact O-CD2 3.24Å; K85-Y154 VanDerWaalsContact C-CE2 3.47Å | ||
| 86 | P | 86.3 | Confident | 84 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 22% | 0.221 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -57.4 | -32.6 | 173.7 | -24 | 36.8 | 0 | 0 | 0 | 113 | D88 F89 Y154 Y161 | P86-D88 PolarHBondContact O-N 3.08Å; P86-F89 PolarHBondContact O-N 3.02Å; P86-Y154 HydrophobicContact CG-CE2 4.28Å; P86-Y161 HydrophobicContact CB-CE1 4.5Å; P86-Y161 HydrophobicContact CG-CE1 3.93Å; P86-Y161 HydrophobicContact CG-CE2 3.82Å; P86-Y161 VanDerWaalsContact CG-CZ 3.46Å; P86-Y161 WeakPolarHBondContact CG-OH 3.21Å |
| 87 | E | 89.1 | Confident | 83.8 | Confident | 137 Ų | 137 | 62.8 Ų | 62.8 | 64% | 0.64 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -69.4 | -10.7 | -179.4 | -54.8 | 79.2 | -164.4 | 0 | 0 | 113.9 | K85 F89 I109 | K85-E87 WeakPolarHBondContact CB-OE2 3.35Å; K85-E87 PolarHBondContact O-N 3.08Å; E87-F89 PolarHBondContact O-N 3.01Å; E87-I109 WeakPolarHBondContact O-CD1 3.21Å |
| 88 | D | 89.9 | Confident | 83.1 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -76.3 | -8.7 | 171.5 | -60.2 | -37.8 | 0 | 0 | 0 | 112.5 | R84 K85 P86 I109 | R84-D88 VanDerWaalsContact CA-OD2 3.25Å; R84-D88 WeakPolarHBondContact CA-OD2 3.47Å; R84-D88 VanDerWaalsContact CD-OD2 3.31Å; R84-D88 WeakPolarHBondContact CD-OD2 3.49Å; K85-D88 PolarHBondContact N-OD2 3.17Å; K85-D88 WeakPolarHBondContact O-CB 3.31Å; K85-D88 PolarHBondContact O-N 3.48Å; K85-D88 VanDerWaalsContact O-N 3.15Å; P86-D88 PolarHBondContact O-N 3.08Å; D88-I109 WeakPolarHBondContact O-CG1 3.47Å; D88-I109 PolarHBondContact O-N 2.81Å |
| 89 | F | 93.4 | Very high | 82.3 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 123.4 | -171.4 | -57.3 | -87.7 | 0 | 0 | 0 | 111.7 | K85 P86 E87 V106 R107 E108 Y152 Y154 V163 | K85-F89 WeakPolarHBondContact O-CD2 3.24Å; P86-F89 PolarHBondContact O-N 3.02Å; E87-F89 PolarHBondContact O-N 3.01Å; F89-V106 HydrophobicContact CB-CB 4.14Å; F89-V106 HydrophobicContact CB-CG2 4.13Å; F89-V106 HydrophobicContact CD1-CG2 3.98Å; F89-V106 HydrophobicContact CG-CG2 4.34Å; F89-R107 CarbonylContact C-O 3.33Å; F89-R107 WeakPolarHBondContact CA-O 3.33Å; F89-E108 HydrophobicContact CD1-CB 3.84Å; F89-E108 HydrophobicContact CD1-CG 4.24Å; F89-E108 HydrophobicContact CE1-CB 3.71Å; F89-E108 HydrophobicContact CE1-CG 3.81Å; F89-E108 HydrophobicContact CZ-CG 4.43Å; F89-Y152 HydrophobicContact CE1-CD2 4.48Å; F89-Y152 HydrophobicContact CZ-CD2 4.03Å; F89-Y154 HydrophobicContact CD2-CE1 4.35Å; F89-Y154 VanDerWaalsContact CD2-OH 3.29Å; F89-Y154 WeakPolarHBondContact CD2-OH 3.26Å; F89-Y154 AromaticContact CE2-CE1 3.61Å; F89-Y154 HydrophobicContact CE2-CE1 3.61Å; F89-Y154 AromaticContact CE2-CZ 3.8Å; F89-Y154 WeakPolarHBondContact CE2-OH 3.24Å; F89-Y154 HydrophobicContact CZ-CE1 4.25Å; F89-V163 HydrophobicContact CE1-CG1 3.83Å; F89-V163 HydrophobicContact CE1-CG2 4.13Å; F89-V163 HydrophobicContact CE2-CG2 4.23Å; F89-V163 HydrophobicContact CZ-CG1 4.24Å; F89-V163 HydrophobicContact CZ-CG2 3.92Å |
| 90 | S | 93.1 | Very high | 81.4 | Confident | 50 Ų | 50 | 60 Ų | 60 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 124.6 | 170.8 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | V106 R107 | S90-V106 CarbonylContact O-C 3.52Å; S90-V106 VanDerWaalsContact O-CA 3.27Å; S90-V106 WeakPolarHBondContact O-CA 3.48Å; S90-R107 PolarHBondContact N-O 3.17Å; S90-R107 PolarHBondContact O-N 3.49Å; S90-R107 PolarHBondContact OG-O 3.09Å; S90-R107 VanDerWaalsContact OG-O 3.14Å |
| 91 | F | 93.1 | Very high | 81.3 | Confident | 110 Ų | 110 | 56.8 Ų | 56.8 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 141.7 | 172.5 | 177.2 | -99 | 0 | 0 | 0 | 111.2 | S93 Q104 | F91-S93 VanDerWaalsContact CE2-C 3.42Å; F91-S93 WeakPolarHBondContact CE2-O 3.42Å; F91-Q104 HydrophobicContact CD2-CB 3.96Å; F91-Q104 HydrophobicContact CD2-CG 4.09Å; F91-Q104 HydrophobicContact CE2-CB 3.96Å; F91-Q104 HydrophobicContact CE2-CG 3.87Å |
| 92 | I | 92.1 | Very high | 81.8 | Confident | 62 Ų | 62 | 56.4 Ų | 56.4 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -51.9 | 176.3 | -61.1 | 161.8 | 0 | 0 | 0 | 110.9 | L105 R107 V114 T398 | I92-L105 HydrophobicContact CB-CB 4.36Å; I92-L105 HydrophobicContact CB-CD2 4.06Å; I92-L105 HydrophobicContact CB-CG 4.08Å; I92-L105 HydrophobicContact CD1-CD2 4.32Å; I92-L105 HydrophobicContact CD1-CG 4.08Å; I92-L105 HydrophobicContact CG2-CD2 3.81Å; I92-L105 HydrophobicContact CG2-CG 4.4Å; I92-L105 PolarHBondContact N-O 3.47Å; I92-R107 HydrophobicContact CD1-CB 3.86Å; I92-V114 HydrophobicContact CD1-CG1 4.35Å; I92-T398 HydrophobicContact CD1-CG2 3.73Å; I92-T398 HydrophobicContact CG2-CG2 4.4Å |
| 93 | S | 90.5 | Very high | 82.5 | Confident | 34 Ų | 34 | 49 Ų | 49 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 165.3 | -175.1 | -168.3 | 0 | 0 | 0 | 0 | 110.3 | F91 L105 | F91-S93 VanDerWaalsContact CE2-C 3.42Å; F91-S93 WeakPolarHBondContact CE2-O 3.42Å; S93-L105 PolarHBondContact N-O 2.9Å; S93-L105 PolarHBondContact O-N 2.91Å |
| 94 | S | 87.7 | Confident | 83.3 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 142.9 | 170.6 | -140.7 | 0 | 0 | 0 | 0 | 109 | R102 E406 | S94-R102 PolarHBondContact OG-NE 3.3Å; S94-R102 PolarHBondContact OG-NH2 3.11Å; S94-E406 WeakPolarHBondContact CB-OE2 3.23Å; S94-E406 VanDerWaalsContact OG-CD 3.28Å; S94-E406 PolarHBondContact OG-OE2 3.33Å |
| 95 | L | 87.6 | Confident | 83.9 | Confident | 16 Ų | 16 | 45.8 Ų | 45.8 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -9.5 | -174.3 | -66 | 175.4 | 0 | 0 | 0 | 113.6 | V103 L105 A116 Y166 T400 F403 | L95-V103 HydrophobicContact CB-CB 4.22Å; L95-V103 HydrophobicContact CB-CG1 4.12Å; L95-V103 HydrophobicContact CD1-CG1 4.13Å; L95-V103 PolarHBondContact N-O 3.14Å; L95-L105 HydrophobicContact CD1-CB 3.96Å; L95-L105 HydrophobicContact CD1-CD1 4.3Å; L95-L105 HydrophobicContact CD2-CB 4.11Å; L95-L105 HydrophobicContact CG-CB 3.93Å; L95-A116 HydrophobicContact CD1-CB 4.18Å; L95-Y166 HydrophobicContact CD1-CD2 3.83Å; L95-Y166 HydrophobicContact CD1-CE2 3.66Å; L95-Y166 HydrophobicContact CD2-CE2 3.8Å; L95-Y166 HydrophobicContact CG-CE2 4.42Å; L95-T400 HydrophobicContact CD2-CG2 3.53Å; L95-F403 HydrophobicContact CB-CD1 4Å; L95-F403 HydrophobicContact CB-CE1 4.17Å; L95-F403 HydrophobicContact CD2-CB 4.47Å; L95-F403 HydrophobicContact CD2-CD1 3.97Å; L95-F403 HydrophobicContact CD2-CD2 3.83Å; L95-F403 HydrophobicContact CD2-CE1 4.11Å; L95-F403 HydrophobicContact CD2-CE2 4.01Å; L95-F403 HydrophobicContact CD2-CG 3.81Å; L95-F403 HydrophobicContact CD2-CZ 4.12Å; L95-F403 VanDerWaalsContact O-CD1 3.26Å; L95-F403 WeakPolarHBondContact O-CD1 3.17Å |
| 96 | G | 79.8 | Confident | 84.5 | Confident | 24 Ų | 24 | 42 Ų | 42 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.6 | 150.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V103 E406 | G96-V103 PolarHBondContact O-N 2.87Å; G96-E406 WeakPolarHBondContact CA-OE1 3.38Å; G96-E406 PolarHBondContact N-OE1 3.1Å |
| 97 | H | 73.5 | Confident | 84.9 | Confident | 110 Ų | 110 | 43.6 Ų | 43.6 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 118.3 | 174.4 | -81.6 | 71.1 | 0 | 0 | 0 | 111.3 | E406 | H97-E406 IonicContact CE1-OE1 3.68Å; H97-E406 PolarHBondContact CE1-OE1 3.03Å; H97-E406 IonicContact CE1-OE2 3.76Å; H97-E406 PolarHBondContact CE1-OE2 2.86Å; H97-E406 IonicContact CG-OE1 3.82Å; H97-E406 PolarHBondContact N-OE1 3.06Å; H97-E406 IonicContact ND1-OE1 2.67Å; H97-E406 PolarHBondContact ND1-OE1 3.49Å; H97-E406 IonicContact ND1-OE2 2.61Å; H97-E406 PolarHBondContact ND1-OE2 3.25Å |
| 98 | G | 64.9 | Low | 85.1 | Confident | 30 Ų | 30 | 37.1 Ų | 37.1 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 167.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F100 G101 | G98-F100 PolarHBondContact O-N 3.25Å; G98-G101 CarbonylContact C-O 3.56Å; G98-G101 PolarHBondContact N-O 3.2Å; G98-G101 PolarHBondContact O-N 3.17Å |
| 99 | A | 61.5 | Low | 85.2 | Confident | 42 Ų | 42 | 40.2 Ų | 40.2 | 35% | 0.347 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -30.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1384 | A99-S1384 PolarHBondContact O-OG 2.69Š|
| 100 | F | 58.2 | Low | 84.9 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -11.1 | -172.3 | -46.3 | -67.7 | 0 | 0 | 0 | 114.6 | G98 L120 K121 Q128 T130 | G98-F100 PolarHBondContact O-N 3.25Å; F100-L120 HydrophobicContact CB-CD2 3.74Å; F100-K121 PolarHBondContact O-N 3.41Å; F100-Q128 HydrophobicContact CE1-CB 4.37Å; F100-T130 HydrophobicContact CD1-CG2 3.67Å; F100-T130 HydrophobicContact CD2-CG2 4.47Å; F100-T130 HydrophobicContact CE1-CG2 3.1Å; F100-T130 HydrophobicContact CE2-CG2 4.02Å; F100-T130 HydrophobicContact CG-CG2 4.33Å; F100-T130 HydrophobicContact CZ-CG2 3.32Å |
| 101 | G | 73.8 | Confident | 84.7 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | -173.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G98 V119 | G98-G101 CarbonylContact C-O 3.56Å; G98-G101 PolarHBondContact N-O 3.2Å; G98-G101 PolarHBondContact O-N 3.17Å; G101-V119 WeakPolarHBondContact CA-O 3.17Å |
| 102 | R | 85.9 | Confident | 84.6 | Confident | 56 Ų | 56 | 42 Ų | 42 | 21% | 0.211 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145.1 | 179.3 | 62.3 | -172.5 | -71.4 | -169.4 | 2.1 | 111.6 | S94 Q104 V119 | S94-R102 PolarHBondContact OG-NE 3.3Å; S94-R102 PolarHBondContact OG-NH2 3.11Å; R102-Q104 HydrophobicContact CG-CG 4.19Å; R102-V119 HydrophobicContact CG-CB 4.36Å; R102-V119 PolarHBondContact N-O 3.48Å; R102-V119 PolarHBondContact O-N 3.37Å |
| 103 | V | 90.1 | Very high | 84.5 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 22% | 0.218 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.4 | 171.7 | -171.3 | 0 | 0 | 0 | 0 | 107.9 | L95 G96 A116 M117 K118 M164 | L95-V103 HydrophobicContact CB-CB 4.22Å; L95-V103 HydrophobicContact CB-CG1 4.12Å; L95-V103 HydrophobicContact CD1-CG1 4.13Å; L95-V103 PolarHBondContact N-O 3.14Å; G96-V103 PolarHBondContact O-N 2.87Å; V103-A116 HydrophobicContact CG1-CB 4.16Å; V103-M117 WeakPolarHBondContact CA-O 3.45Å; V103-K118 HydrophobicContact CG2-CG 4.27Å; V103-M164 HydrophobicContact CG1-CE 4.23Å |
| 104 | Q | 93.2 | Very high | 84.7 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.3 | -178.2 | -61.2 | -176.2 | -15.1 | 0 | 0 | 110.1 | F91 R102 V106 A116 M117 V119 | F91-Q104 HydrophobicContact CD2-CB 3.96Å; F91-Q104 HydrophobicContact CD2-CG 4.09Å; F91-Q104 HydrophobicContact CE2-CB 3.96Å; F91-Q104 HydrophobicContact CE2-CG 3.87Å; R102-Q104 HydrophobicContact CG-CG 4.19Å; Q104-V106 HydrophobicContact CB-CG1 3.91Å; Q104-V106 PolarHBondContact O-N 2.91Å; Q104-A116 CarbonylContact O-C 3.58Å; Q104-A116 WeakPolarHBondContact O-CA 3.41Å; Q104-M117 PolarHBondContact N-O 3.46Å; Q104-M117 PolarHBondContact O-N 3.48Å; Q104-V119 HydrophobicContact CG-CG2 4.29Å |
| 105 | L | 95 | Very high | 85 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 120.3 | 161.7 | -173.1 | 66.8 | 0 | 0 | 0 | 108.1 | I92 S93 L95 V114 Y166 T398 T400 | I92-L105 HydrophobicContact CB-CB 4.36Å; I92-L105 HydrophobicContact CB-CD2 4.06Å; I92-L105 HydrophobicContact CB-CG 4.08Å; I92-L105 HydrophobicContact CD1-CD2 4.32Å; I92-L105 HydrophobicContact CD1-CG 4.08Å; I92-L105 HydrophobicContact CG2-CD2 3.81Å; I92-L105 HydrophobicContact CG2-CG 4.4Å; I92-L105 PolarHBondContact N-O 3.47Å; S93-L105 PolarHBondContact N-O 2.9Å; S93-L105 PolarHBondContact O-N 2.91Å; L95-L105 HydrophobicContact CD1-CB 3.96Å; L95-L105 HydrophobicContact CD1-CD1 4.3Å; L95-L105 HydrophobicContact CD2-CB 4.11Å; L95-L105 HydrophobicContact CG-CB 3.93Å; L105-V114 HydrophobicContact CD1-CG1 3.39Å; L105-V114 HydrophobicContact CG-CG1 4.1Å; L105-Y166 HydrophobicContact CD1-CD1 3.5Å; L105-Y166 VanDerWaalsContact CD1-CD1 3.5Å; L105-Y166 HydrophobicContact CD1-CD2 3.63Å; L105-Y166 HydrophobicContact CD1-CE1 3.61Å; L105-Y166 HydrophobicContact CD1-CE2 3.78Å; L105-Y166 HydrophobicContact CD1-CG 3.51Å; L105-Y166 HydrophobicContact CD2-CE1 4.42Å; L105-T398 HydrophobicContact CD2-CG2 4.45Å; L105-T400 HydrophobicContact CD2-CG2 3.62Å |
| 106 | V | 95.4 | Very high | 85.4 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 160.3 | -179.8 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | F89 S90 Q104 V114 C115 M117 | F89-V106 HydrophobicContact CB-CB 4.14Å; F89-V106 HydrophobicContact CB-CG2 4.13Å; F89-V106 HydrophobicContact CD1-CG2 3.98Å; F89-V106 HydrophobicContact CG-CG2 4.34Å; S90-V106 CarbonylContact O-C 3.52Å; S90-V106 VanDerWaalsContact O-CA 3.27Å; S90-V106 WeakPolarHBondContact O-CA 3.48Å; Q104-V106 HydrophobicContact CB-CG1 3.91Å; Q104-V106 PolarHBondContact O-N 2.91Å; V106-V114 CarbonylContact O-C 3.53Å; V106-V114 WeakPolarHBondContact O-CA 3.21Å; V106-C115 HydrophobicContact CG2-CB 4.11Å; V106-C115 PolarHBondContact N-O 3.12Å; V106-C115 PolarHBondContact O-N 3.22Å; V106-M117 HydrophobicContact CG1-CB 3.94Å; V106-M117 HydrophobicContact CG1-CE 3.83Å; V106-M117 HydrophobicContact CG1-SD 4.41Å; V106-M117 HydrophobicContact CG2-CB 3.82Å |
| 107 | R | 95.7 | Very high | 86 | Confident | 68 Ų | 68 | 40.7 Ų | 40.7 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.5 | 169 | -177.4 | -174.7 | -57.2 | -87.7 | 3.3 | 110.6 | F89 S90 I92 I109 G112 R113 E397 | F89-R107 CarbonylContact C-O 3.33Å; F89-R107 WeakPolarHBondContact CA-O 3.33Å; S90-R107 PolarHBondContact N-O 3.17Å; S90-R107 PolarHBondContact O-N 3.49Å; S90-R107 PolarHBondContact OG-O 3.09Å; S90-R107 VanDerWaalsContact OG-O 3.14Å; I92-R107 HydrophobicContact CD1-CB 3.86Å; R107-I109 PolarHBondContact O-N 3.35Å; R107-G112 WeakPolarHBondContact CG-O 3.44Å; R107-G112 PolarHBondContact NH1-O 3.43Å; R107-R113 CarbonylContact C-O 3.36Å; R107-R113 VanDerWaalsContact CA-O 3.28Å; R107-R113 WeakPolarHBondContact CA-O 3.45Å; R107-E397 IonicContact CZ-OE1 3.65Å; R107-E397 IonicContact NH1-OE1 3.01Å; R107-E397 PolarHBondContact NH1-OE1 2.94Å; R107-E397 IonicContact NH1-OE2 3.67Å; R107-E397 IonicContact NH2-OE1 2.69Å; R107-E397 PolarHBondContact NH2-OE1 3.44Å |
| 108 | E | 93.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 120.9 | 172.5 | -174.5 | -174.2 | 178.2 | 0 | 0 | 110 | R84 F89 T110 T111 G112 R113 | R84-E108 IonicContact CZ-OE1 3.77Å; R84-E108 IonicContact NH1-OE1 3.45Å; R84-E108 PolarHBondContact NH1-OE1 3.13Å; R84-E108 IonicContact NH2-OE1 3.76Å; R84-E108 PolarHBondContact NH2-OE1 3.46Å; F89-E108 HydrophobicContact CD1-CB 3.84Å; F89-E108 HydrophobicContact CD1-CG 4.24Å; F89-E108 HydrophobicContact CE1-CB 3.71Å; F89-E108 HydrophobicContact CE1-CG 3.81Å; F89-E108 HydrophobicContact CZ-CG 4.43Å; E108-T110 VanDerWaalsContact C-N 3.3Å; E108-T110 WeakPolarHBondContact CG-OG1 3.15Å; E108-T110 PolarHBondContact O-N 2.87Å; E108-T110 PolarHBondContact OE1-OG1 2.94Å; E108-T111 WeakPolarHBondContact CB-OG1 3.36Å; E108-T111 VanDerWaalsContact CD-CG2 3.46Å; E108-T111 HydrophobicContact CG-CG2 4.44Å; E108-T111 WeakPolarHBondContact OE1-CG2 3.42Å; E108-T111 WeakPolarHBondContact OE2-CB 3.39Å; E108-T111 VanDerWaalsContact OE2-CG2 3.25Å; E108-T111 WeakPolarHBondContact OE2-CG2 3.5Å; E108-T111 PolarHBondContact OE2-OG1 2.91Å; E108-G112 VanDerWaalsContact O-CA 3.28Å; E108-G112 WeakPolarHBondContact O-CA 3.4Å; E108-G112 PolarHBondContact O-N 3.26Å; E108-R113 PolarHBondContact N-O 2.86Å |
| 109 | I | 90.7 | Very high | 88.1 | Confident | 108 Ų | 108 | 35.3 Ų | 35.3 | 55% | 0.554 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -33.2 | -173 | -62 | 175.8 | 0 | 0 | 0 | 111.3 | E87 D88 R107 | E87-I109 WeakPolarHBondContact O-CD1 3.21Å; D88-I109 WeakPolarHBondContact O-CG1 3.47Å; D88-I109 PolarHBondContact O-N 2.81Å; R107-I109 PolarHBondContact O-N 3.35Å |
| 110 | T | 87.6 | Confident | 89.1 | Confident | 101 Ų | 101 | 33.5 Ų | 33.5 | 62% | 0.62 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -27.9 | -176.4 | 43.5 | 0 | 0 | 0 | 0 | 114.7 | E108 | E108-T110 VanDerWaalsContact C-N 3.3Å; E108-T110 WeakPolarHBondContact CG-OG1 3.15Å; E108-T110 PolarHBondContact O-N 2.87Å; E108-T110 PolarHBondContact OE1-OG1 2.94Å |
| 111 | T | 89.3 | Confident | 90.3 | Very high | 77 Ų | 77 | 34.6 Ų | 34.6 | 47% | 0.472 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -16.4 | -177.8 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | E108 R113 | E108-T111 WeakPolarHBondContact CB-OG1 3.36Å; E108-T111 VanDerWaalsContact CD-CG2 3.46Å; E108-T111 HydrophobicContact CG-CG2 4.44Å; E108-T111 WeakPolarHBondContact OE1-CG2 3.42Å; E108-T111 WeakPolarHBondContact OE2-CB 3.39Å; E108-T111 VanDerWaalsContact OE2-CG2 3.25Å; E108-T111 WeakPolarHBondContact OE2-CG2 3.5Å; E108-T111 PolarHBondContact OE2-OG1 2.91Å; T111-R113 PolarHBondContact O-N 2.75Å; T111-R113 VanDerWaalsContact OG1-CB 3.29Å; T111-R113 WeakPolarHBondContact OG1-CB 3.26Å; T111-R113 PolarHBondContact OG1-N 2.87Å |
| 112 | G | 90 | Very high | 90.5 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 33% | 0.33 | 18% | 0.184 | S | C | . | . | trans | 74.7 | -0.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R107 E108 | R107-G112 WeakPolarHBondContact CG-O 3.44Å; R107-G112 PolarHBondContact NH1-O 3.43Å; E108-G112 VanDerWaalsContact O-CA 3.28Å; E108-G112 WeakPolarHBondContact O-CA 3.4Å; E108-G112 PolarHBondContact O-N 3.26Å | ||
| 113 | R | 91.9 | Very high | 89.8 | Confident | 99 Ų | 99 | 34.2 Ų | 34.2 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | trans | -67.8 | 134.2 | -175.9 | -172.9 | -172.9 | -61.3 | -171.3 | -0.7 | 111.9 | R107 E108 T111 Y151 | R107-R113 CarbonylContact C-O 3.36Å; R107-R113 VanDerWaalsContact CA-O 3.28Å; R107-R113 WeakPolarHBondContact CA-O 3.45Å; E108-R113 PolarHBondContact N-O 2.86Å; T111-R113 PolarHBondContact O-N 2.75Å; T111-R113 VanDerWaalsContact OG1-CB 3.29Å; T111-R113 WeakPolarHBondContact OG1-CB 3.26Å; T111-R113 PolarHBondContact OG1-N 2.87Å; R113-Y151 VanDerWaalsContact NH1-CZ 3.28Å | ||
| 114 | V | 94.3 | Very high | 88.7 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 132.2 | 167.8 | -175.1 | 0 | 0 | 0 | 0 | 110 | I92 L105 V106 Y166 E397 T398 | I92-V114 HydrophobicContact CD1-CG1 4.35Å; L105-V114 HydrophobicContact CD1-CG1 3.39Å; L105-V114 HydrophobicContact CG-CG1 4.1Å; V106-V114 CarbonylContact O-C 3.53Å; V106-V114 WeakPolarHBondContact O-CA 3.21Å; V114-Y166 HydrophobicContact CG1-CD1 3.96Å; V114-Y166 HydrophobicContact CG1-CG 4.44Å; V114-E397 HydrophobicContact CG2-CB 4.41Å; V114-E397 HydrophobicContact CG2-CG 4.19Å; V114-T398 HydrophobicContact CG1-CG2 4.3Å; V114-T398 HydrophobicContact CG2-CG2 3.84Å |
| 115 | C | 94.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 156.7 | -174.9 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | V106 V163 M164 | V106-C115 HydrophobicContact CG2-CB 4.11Å; V106-C115 PolarHBondContact N-O 3.12Å; V106-C115 PolarHBondContact O-N 3.22Å; C115-V163 HydrophobicContact CB-CG1 3.55Å; C115-M164 WeakPolarHBondContact CA-O 3.48Å; C115-M164 WeakPolarHBondContact CB-O 3.26Å |
| 116 | A | 94.5 | Very high | 85.9 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 125.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L95 V103 Q104 M164 Y166 | L95-A116 HydrophobicContact CD1-CB 4.18Å; V103-A116 HydrophobicContact CG1-CB 4.16Å; Q104-A116 CarbonylContact O-C 3.58Å; Q104-A116 WeakPolarHBondContact O-CA 3.41Å; A116-M164 HydrophobicContact CB-CE 3.77Å; A116-M164 PolarHBondContact N-O 2.87Å; A116-M164 WeakPolarHBondContact O-CB 3.28Å; A116-M164 PolarHBondContact O-N 2.87Å; A116-Y166 HydrophobicContact CB-CD2 4.47Å |
| 117 | M | 93.9 | Very high | 83.7 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 105.6 | 179.5 | -175.8 | 171.6 | 75 | 0 | 0 | 110.7 | V103 Q104 V106 V119 Y154 Y161 M162 V163 | V103-M117 WeakPolarHBondContact CA-O 3.45Å; Q104-M117 PolarHBondContact N-O 3.46Å; Q104-M117 PolarHBondContact O-N 3.48Å; V106-M117 HydrophobicContact CG1-CB 3.94Å; V106-M117 HydrophobicContact CG1-CE 3.83Å; V106-M117 HydrophobicContact CG1-SD 4.41Å; V106-M117 HydrophobicContact CG2-CB 3.82Å; M117-V119 HydrophobicContact CE-CG2 3.74Å; M117-V119 HydrophobicContact CG-CG2 4.02Å; M117-V119 PolarHBondContact O-N 2.84Å; M117-Y154 PolarHBondContact SD-OH 3.27Å; M117-Y154 VanDerWaalsContact SD-OH 3.33Å; M117-Y161 HydrophobicContact CE-CD1 4.15Å; M117-Y161 HydrophobicContact CE-CE1 4.39Å; M117-Y161 HydrophobicContact CG-CD1 4.2Å; M117-Y161 HydrophobicContact SD-CD1 3.75Å; M117-Y161 HydrophobicContact SD-CE1 4.49Å; M117-M162 CarbonylContact C-O 3.51Å; M117-M162 VanDerWaalsContact CA-O 3.31Å; M117-M162 WeakPolarHBondContact CA-O 3.44Å; M117-V163 HydrophobicContact CB-CG2 4.36Å; M117-V163 HydrophobicContact CG-CG2 3.99Å; M117-V163 HydrophobicContact SD-CG2 4.19Å |
| 118 | K | 91.3 | Very high | 81.5 | Confident | 16 Ų | 16 | 38.8 Ų | 38.8 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 112.2 | 172 | -163 | -176 | -165.2 | -170 | 0 | 108.5 | V103 L120 E135 Y161 M162 M164 D228 | V103-K118 HydrophobicContact CG2-CG 4.27Å; K118-L120 HydrophobicContact CD-CD2 4Å; K118-L120 HydrophobicContact CD-CG 4.46Å; K118-L120 HydrophobicContact CG-CD2 3.93Å; K118-L120 HydrophobicContact CG-CG 4.28Å; K118-E135 IonicContact NZ-OE1 3.5Å; K118-E135 PolarHBondContact NZ-OE1 3.48Å; K118-E135 IonicContact NZ-OE2 2.79Å; K118-E135 PolarHBondContact NZ-OE2 3.21Å; K118-Y161 WeakPolarHBondContact O-CA 3.34Å; K118-M162 HydrophobicContact CB-CB 4.2Å; K118-M162 HydrophobicContact CD-SD 4.29Å; K118-M162 PolarHBondContact N-O 2.98Å; K118-M162 PolarHBondContact O-N 3.25Å; K118-M164 HydrophobicContact CB-CE 3.88Å; K118-M164 HydrophobicContact CB-SD 4.1Å; K118-D228 IonicContact NZ-OD1 3.09Å; K118-D228 PolarHBondContact NZ-OD1 3.49Å |
| 119 | V | 89.9 | Confident | 79.5 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 93.8 | -178.5 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | G101 R102 Q104 M117 N159 Y161 | G101-V119 WeakPolarHBondContact CA-O 3.17Å; R102-V119 HydrophobicContact CG-CB 4.36Å; R102-V119 PolarHBondContact N-O 3.48Å; R102-V119 PolarHBondContact O-N 3.37Å; Q104-V119 HydrophobicContact CG-CG2 4.29Å; M117-V119 HydrophobicContact CE-CG2 3.74Å; M117-V119 HydrophobicContact CG-CG2 4.02Å; M117-V119 PolarHBondContact O-N 2.84Å; V119-N159 HydrophobicContact CG1-CB 4.05Å; V119-Y161 HydrophobicContact CB-CD1 4.47Å; V119-Y161 HydrophobicContact CB-CE1 4.42Å; V119-Y161 HydrophobicContact CG1-CD1 4.14Å; V119-Y161 HydrophobicContact CG1-CE1 3.68Å; V119-Y161 HydrophobicContact CG2-CD1 3.95Å; V119-Y161 HydrophobicContact CG2-CE1 4.04Å |
| 120 | L | 83.8 | Confident | 77.7 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.6 | -177.2 | -57.6 | 171.9 | 0 | 0 | 0 | 109.9 | F100 K118 K122 M125 N159 L160 M162 | F100-L120 HydrophobicContact CB-CD2 3.74Å; K118-L120 HydrophobicContact CD-CD2 4Å; K118-L120 HydrophobicContact CD-CG 4.46Å; K118-L120 HydrophobicContact CG-CD2 3.93Å; K118-L120 HydrophobicContact CG-CG 4.28Å; L120-K122 PolarHBondContact O-N 2.7Å; L120-K122 VanDerWaalsContact O-N 3.14Å; L120-M125 HydrophobicContact CB-CG 4.3Å; L120-M125 HydrophobicContact CB-SD 3.67Å; L120-M125 HydrophobicContact CD1-CE 4Å; L120-M125 HydrophobicContact CD1-SD 4.15Å; L120-N159 CarbonylContact O-C 3.55Å; L120-N159 VanDerWaalsContact O-CA 3.24Å; L120-N159 WeakPolarHBondContact O-CA 3.47Å; L120-L160 HydrophobicContact CB-CB 4.27Å; L120-L160 HydrophobicContact CD1-CB 4.46Å; L120-L160 PolarHBondContact N-O 3.35Å; L120-L160 PolarHBondContact O-N 3.48Å; L120-M162 HydrophobicContact CD1-CE 3.96Å; L120-M162 HydrophobicContact CD1-SD 4.04Å |
| 121 | K | 82 | Confident | 76.4 | Confident | 49 Ų | 49 | 37.1 Ų | 37.1 | 21% | 0.213 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 110.8 | 177.6 | -71.3 | 178.7 | 179.8 | 171 | 0 | 108.1 | F100 S123 R124 D412 | F100-K121 PolarHBondContact O-N 3.41Å; K121-S123 VanDerWaalsContact C-N 3.3Å; K121-S123 PolarHBondContact O-N 2.87Å; K121-R124 HydrophobicContact CB-CG 4.35Å; K121-R124 WeakPolarHBondContact O-CB 3.41Å; K121-R124 PolarHBondContact O-N 2.92Å; K121-D412 IonicContact NZ-OD1 2.77Å; K121-D412 PolarHBondContact NZ-OD1 2.82Å; K121-D412 IonicContact NZ-OD2 2.79Å; K121-D412 PolarHBondContact NZ-OD2 2.88Å |
| 122 | K | 77.9 | Confident | 75.5 | Confident | 26 Ų | 26 | 34.1 Ų | 34.1 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -51.7 | -49.3 | -170.2 | -77 | 175.1 | 167 | 178.2 | 0 | 111.4 | L120 R124 M125 L126 D156 K158 N159 L160 | L120-K122 PolarHBondContact O-N 2.7Å; L120-K122 VanDerWaalsContact O-N 3.14Å; K122-R124 PolarHBondContact O-N 3.19Å; K122-M125 WeakPolarHBondContact O-CB 3.46Å; K122-M125 PolarHBondContact O-N 3Å; K122-L126 HydrophobicContact CB-CD1 4.11Å; K122-L126 WeakPolarHBondContact O-CD1 3.41Å; K122-L126 WeakPolarHBondContact O-CG 3.43Å; K122-L126 PolarHBondContact O-N 3.04Å; K122-D156 PolarHBondContact NZ-O 2.87Å; K122-K158 WeakPolarHBondContact CB-O 3.49Å; K122-K158 WeakPolarHBondContact CG-O 3.45Å; K122-K158 PolarHBondContact N-O 2.71Å; K122-N159 VanDerWaalsContact CE-O 3.27Å; K122-N159 WeakPolarHBondContact CE-O 3.43Å; K122-L160 HydrophobicContact CG-CG 4.34Å |
| 123 | S | 71.1 | Confident | 74.6 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -47.3 | -36.4 | 177.5 | 52.2 | 0 | 0 | 0 | 0 | 115.1 | K121 A127 L481 | K121-S123 VanDerWaalsContact C-N 3.3Å; K121-S123 PolarHBondContact O-N 2.87Å; S123-A127 PolarHBondContact O-N 3.15Å; S123-L481 WeakPolarHBondContact OG-CD2 3.07Å |
| 124 | R | 67.9 | Low | 74 | Confident | 79 Ų | 79 | 32 Ų | 32 | 30% | 0.298 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -71.8 | -48.1 | 177.9 | -68.2 | -170.5 | 176 | -172 | 1.6 | 112.2 | K121 K122 L126 A127 Q128 | K121-R124 HydrophobicContact CB-CG 4.35Å; K121-R124 WeakPolarHBondContact O-CB 3.41Å; K121-R124 PolarHBondContact O-N 2.92Å; K122-R124 PolarHBondContact O-N 3.19Å; R124-L126 PolarHBondContact O-N 3.2Å; R124-L126 VanDerWaalsContact O-N 3.13Å; R124-A127 PolarHBondContact O-N 2.79Å; R124-Q128 PolarHBondContact O-N 3.28Å |
| 125 | M | 67.3 | Low | 73.5 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 5% | 0.054 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -53.1 | -36.5 | 177 | -54.7 | -179.8 | 71.1 | 0 | 0 | 112 | L120 K122 Q128 H129 Y132 L160 | L120-M125 HydrophobicContact CB-CG 4.3Å; L120-M125 HydrophobicContact CB-SD 3.67Å; L120-M125 HydrophobicContact CD1-CE 4Å; L120-M125 HydrophobicContact CD1-SD 4.15Å; K122-M125 WeakPolarHBondContact O-CB 3.46Å; K122-M125 PolarHBondContact O-N 3Å; M125-Q128 PolarHBondContact O-N 3.39Å; M125-H129 PolarHBondContact O-N 2.78Å; M125-Y132 VanDerWaalsContact CE-CB 3.42Å; M125-Y132 HydrophobicContact CE-CD1 3.79Å; M125-Y132 HydrophobicContact CE-CG 3.61Å; M125-L160 HydrophobicContact CE-CD1 3.73Å; M125-L160 HydrophobicContact SD-CD1 3.75Å; M125-L160 HydrophobicContact SD-CG 4.1Å |
| 126 | L | 62.3 | Low | 72.8 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -79.9 | -33.2 | -170.4 | -60 | 168.7 | 0 | 0 | 0 | 112.5 | K122 R124 Q128 G483 Q485 Y1465 | K122-L126 HydrophobicContact CB-CD1 4.11Å; K122-L126 WeakPolarHBondContact O-CD1 3.41Å; K122-L126 WeakPolarHBondContact O-CG 3.43Å; K122-L126 PolarHBondContact O-N 3.04Å; R124-L126 PolarHBondContact O-N 3.2Å; R124-L126 VanDerWaalsContact O-N 3.13Å; L126-Q128 VanDerWaalsContact C-N 3.29Å; L126-G483 VanDerWaalsContact CD1-O 3.26Å; L126-G483 WeakPolarHBondContact CD1-O 3.4Å; L126-Q485 HydrophobicContact CD2-CB 3.22Å; L126-Q485 HydrophobicContact CD2-CG 3.35Å; L126-Q485 VanDerWaalsContact CD2-N 3.26Å; L126-Q485 VanDerWaalsContact CD2-NE2 3.33Å; L126-Q485 PolarHBondContact O-NE2 2.79Å; L126-Y1465 VanDerWaalsContact O-O 3.06Å |
| 127 | A | 48.7 | Very low | 72.3 | Confident | 55 Ų | 55 | 34.7 Ų | 34.7 | 46% | 0.455 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.3 | -34.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S123 R124 K1493 | S123-A127 PolarHBondContact O-N 3.15Å; R124-A127 PolarHBondContact O-N 2.79Å; A127-K1493 PolarHBondContact O-NZ 3.39Å |
| 128 | Q | 49.4 | Very low | 71.9 | Confident | 74 Ų | 74 | 34.3 Ų | 34.3 | 35% | 0.346 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -106.1 | -3.8 | -165.5 | -61.3 | -175.4 | 5.8 | 0 | 0 | 115.5 | F100 R124 M125 L126 T130 S1383 S1384 | F100-Q128 HydrophobicContact CE1-CB 4.37Å; R124-Q128 PolarHBondContact O-N 3.28Å; M125-Q128 PolarHBondContact O-N 3.39Å; L126-Q128 VanDerWaalsContact C-N 3.29Å; Q128-T130 PolarHBondContact O-N 2.9Å; Q128-S1383 PolarHBondContact NE2-O 2.78Å; Q128-S1384 PolarHBondContact NE2-OG 3.48Å; Q128-S1384 VanDerWaalsContact NE2-OG 3.09Å |
| 129 | H | 52 | Low | 71.7 | Confident | 72 Ų | 72 | 33.7 Ų | 33.7 | 33% | 0.333 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 38.7 | 174.4 | -59.3 | -70 | 0 | 0 | 0 | 115.8 | M125 F1462 S1464 Q1486 K1493 | M125-H129 PolarHBondContact O-N 2.78Å; H129-F1462 AromaticContact CE1-CD1 3.08Å; H129-F1462 WeakPolarHBondContact CE1-CD1 3.21Å; H129-F1462 AromaticContact CE1-CE1 3.61Å; H129-F1462 AromaticContact NE2-CD1 3.48Å; H129-F1462 WeakPolarHBondContact NE2-CD1 3.41Å; H129-F1462 AromaticContact NE2-CE1 2.91Å; H129-F1462 WeakPolarHBondContact NE2-CE1 3.23Å; H129-S1464 PolarHBondContact CE1-OG 2.87Å; H129-Q1486 PolarHBondContact NE2-OE1 3.45Å; H129-K1493 VanDerWaalsContact NE2-CE 3.33Å; H129-K1493 WeakPolarHBondContact NE2-CE 2.86Å; H129-K1493 PolarHBondContact NE2-NZ 2.84Å; H129-K1493 VanDerWaalsContact NE2-NZ 3.13Å |
| 130 | T | 52.4 | Low | 71.3 | Confident | 24 Ų | 24 | 34.6 Ų | 34.6 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | trans | -68.4 | 130 | 175.7 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | F100 Q128 Y132 | F100-T130 HydrophobicContact CD1-CG2 3.67Å; F100-T130 HydrophobicContact CD2-CG2 4.47Å; F100-T130 HydrophobicContact CE1-CG2 3.1Å; F100-T130 HydrophobicContact CE2-CG2 4.02Å; F100-T130 HydrophobicContact CG-CG2 4.33Å; F100-T130 HydrophobicContact CZ-CG2 3.32Å; Q128-T130 PolarHBondContact O-N 2.9Å; T130-Y132 VanDerWaalsContact C-N 3.32Å; T130-Y132 PolarHBondContact O-N 3.46Å; T130-Y132 VanDerWaalsContact O-N 3.07Å | ||
| 131 | D | 60.7 | Low | 70.7 | Confident | 79 Ų | 79 | 37.5 Ų | 37.5 | 42% | 0.422 | 19% | 0.187 | S | C | . | . | trans | -85.4 | 72.5 | 172.5 | -164.4 | 1.7 | 0 | 0 | 0 | 112.3 | W133 A134 | D131-W133 PolarHBondContact O-N 2.91Å; D131-W133 VanDerWaalsContact OD1-CB 3.31Å; D131-W133 WeakPolarHBondContact OD1-CB 3.5Å; D131-W133 VanDerWaalsContact OD1-CD1 3.26Å; D131-W133 PolarHBondContact OD1-N 3.45Å; D131-A134 WeakPolarHBondContact O-CB 3.39Å; D131-A134 PolarHBondContact O-N 3.26Å | ||
| 132 | Y | 69.6 | Low | 69.7 | Low | 15 Ų | 15 | 36.6 Ų | 36.6 | 6% | 0.059 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -10 | 177.3 | 80.3 | -79.8 | 0 | 0 | 0 | 113.6 | M125 T130 K136 L160 M162 A487 A489 | M125-Y132 VanDerWaalsContact CE-CB 3.42Å; M125-Y132 HydrophobicContact CE-CD1 3.79Å; M125-Y132 HydrophobicContact CE-CG 3.61Å; T130-Y132 VanDerWaalsContact C-N 3.32Å; T130-Y132 PolarHBondContact O-N 3.46Å; T130-Y132 VanDerWaalsContact O-N 3.07Å; Y132-K136 PolarHBondContact O-N 2.9Å; Y132-L160 HydrophobicContact CD1-CD1 4.48Å; Y132-L160 HydrophobicContact CD2-CD1 3.67Å; Y132-L160 HydrophobicContact CE2-CD1 3.93Å; Y132-L160 HydrophobicContact CG-CD1 4.01Å; Y132-M162 HydrophobicContact CD2-CE 4.35Å; Y132-A487 HydrophobicContact CE1-CB 3.71Å; Y132-A487 HydrophobicContact CE2-CB 4.25Å; Y132-A487 VanDerWaalsContact CZ-CB 3.48Å; Y132-A487 WeakPolarHBondContact OH-CA 3.3Å; Y132-A487 VanDerWaalsContact OH-CB 3.3Å; Y132-A487 WeakPolarHBondContact OH-CB 3.43Å; Y132-A489 HydrophobicContact CE2-CB 3.66Å |
| 133 | W | 72.6 | Confident | 69.4 | Low | 84 Ų | 84 | 44.6 Ų | 44.6 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.3 | -42.3 | 174.1 | -64.4 | 86.3 | 0 | 0 | 0 | 110.5 | D131 E135 K136 E137 F488 | D131-W133 PolarHBondContact O-N 2.91Å; D131-W133 VanDerWaalsContact OD1-CB 3.31Å; D131-W133 WeakPolarHBondContact OD1-CB 3.5Å; D131-W133 VanDerWaalsContact OD1-CD1 3.26Å; D131-W133 PolarHBondContact OD1-N 3.45Å; W133-E135 PolarHBondContact O-N 3.18Å; W133-K136 PolarHBondContact O-N 3.06Å; W133-E137 VanDerWaalsContact O-CB 3.3Å; W133-E137 WeakPolarHBondContact O-CB 3.35Å; W133-E137 PolarHBondContact O-N 2.97Å; W133-F488 HydrophobicContact CH2-CB 4.04Å; W133-F488 WeakPolarHBondContact CH2-O 3.24Å; W133-F488 HydrophobicContact CZ2-CB 4.24Å |
| 134 | A | 78.8 | Confident | 70.3 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.2 | -50.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | D131 K136 E137 I138 F206 A232 | D131-A134 WeakPolarHBondContact O-CB 3.39Å; D131-A134 PolarHBondContact O-N 3.26Å; A134-K136 PolarHBondContact O-N 2.99Å; A134-E137 PolarHBondContact O-N 2.94Å; A134-E137 VanDerWaalsContact O-N 3.17Å; A134-I138 HydrophobicContact CB-CD1 4.42Å; A134-I138 WeakPolarHBondContact O-CB 3.41Å; A134-I138 VanDerWaalsContact O-CD1 3.31Å; A134-I138 WeakPolarHBondContact O-CD1 3.27Å; A134-I138 WeakPolarHBondContact O-CG1 2.39Å; A134-I138 PolarHBondContact O-N 3.02Å; A134-F206 HydrophobicContact CB-CD1 3.88Å; A134-F206 HydrophobicContact CB-CE1 3.53Å; A134-A232 HydrophobicContact CB-CB 4.38Å |
| 135 | E | 82.8 | Confident | 71.5 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.019 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 176.8 | 176.7 | 161.6 | -132.1 | 0 | 0 | 112.4 | K118 W133 E137 M139 M162 F229 | K118-E135 IonicContact NZ-OE1 3.5Å; K118-E135 PolarHBondContact NZ-OE1 3.48Å; K118-E135 IonicContact NZ-OE2 2.79Å; K118-E135 PolarHBondContact NZ-OE2 3.21Å; W133-E135 PolarHBondContact O-N 3.18Å; E135-E137 PolarHBondContact O-N 3.42Å; E135-M139 HydrophobicContact CG-CG 4.48Å; E135-M139 HydrophobicContact CG-SD 3.69Å; E135-M139 WeakPolarHBondContact O-CB 3.16Å; E135-M139 WeakPolarHBondContact O-CG 3.23Å; E135-M139 PolarHBondContact O-N 3.37Å; E135-M139 VanDerWaalsContact O-N 3.11Å; E135-M162 HydrophobicContact CB-CE 4.33Å; E135-M162 HydrophobicContact CG-CE 3.95Å; E135-M162 HydrophobicContact CG-SD 3.94Å; E135-F229 HydrophobicContact CB-CB 3.92Å; E135-F229 HydrophobicContact CG-CB 4.07Å; E135-F229 PolarHBondContact OE1-N 2.93Å |
| 136 | K | 81 | Confident | 72.8 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 13% | 0.13 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.4 | -165.7 | -150.1 | 168.7 | -168.9 | 0 | 112.1 | Y132 W133 A134 S140 L150 A489 G490 | Y132-K136 PolarHBondContact O-N 2.9Å; W133-K136 PolarHBondContact O-N 3.06Å; A134-K136 PolarHBondContact O-N 2.99Å; K136-S140 WeakPolarHBondContact O-CB 3.06Å; K136-S140 PolarHBondContact O-N 3.47Å; K136-S140 PolarHBondContact O-OG 2.92Å; K136-L150 HydrophobicContact CG-CD2 3.74Å; K136-A489 WeakPolarHBondContact CE-O 3.37Å; K136-A489 PolarHBondContact NZ-O 3.3Å; K136-G490 PolarHBondContact NZ-O 3.48Å |
| 137 | E | 82.1 | Confident | 74.3 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.9 | -52.4 | -176.9 | -170.3 | 171.3 | 153.1 | 0 | 0 | 110.7 | F34 W133 A134 E135 S140 H141 F206 | F34-E137 HydrophobicContact CD1-CG 3.99Å; F34-E137 HydrophobicContact CE1-CG 3.93Å; W133-E137 VanDerWaalsContact O-CB 3.3Å; W133-E137 WeakPolarHBondContact O-CB 3.35Å; W133-E137 PolarHBondContact O-N 2.97Å; A134-E137 PolarHBondContact O-N 2.94Å; A134-E137 VanDerWaalsContact O-N 3.17Å; E135-E137 PolarHBondContact O-N 3.42Å; E137-S140 PolarHBondContact O-N 3.26Å; E137-S140 PolarHBondContact O-OG 2.73Å; E137-H141 PolarHBondContact O-ND1 2.87Å; E137-F206 HydrophobicContact CB-CZ 4.22Å; E137-F206 HydrophobicContact CG-CE2 4.25Å; E137-F206 HydrophobicContact CG-CZ 4.11Å |
| 138 | I | 86.7 | Confident | 76.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.6 | -56 | 177.2 | -65 | 158 | 0 | 0 | 0 | 110.5 | A134 S140 H141 I147 L201 M204 F206 F229 A232 | A134-I138 HydrophobicContact CB-CD1 4.42Å; A134-I138 WeakPolarHBondContact O-CB 3.41Å; A134-I138 VanDerWaalsContact O-CD1 3.31Å; A134-I138 WeakPolarHBondContact O-CD1 3.27Å; A134-I138 WeakPolarHBondContact O-CG1 2.39Å; A134-I138 PolarHBondContact O-N 3.02Å; I138-S140 PolarHBondContact O-N 3.15Å; I138-H141 WeakPolarHBondContact O-CB 3.25Å; I138-H141 PolarHBondContact O-N 3.36Å; I138-H141 VanDerWaalsContact O-N 3.07Å; I138-I147 HydrophobicContact CG2-CD1 4.37Å; I138-I147 HydrophobicContact CG2-CG2 3.99Å; I138-L201 HydrophobicContact CB-CD1 4.38Å; I138-L201 HydrophobicContact CD1-CD1 3.6Å; I138-L201 HydrophobicContact CG1-CD1 3.76Å; I138-L201 HydrophobicContact CG2-CD1 3.67Å; I138-M204 HydrophobicContact CG2-SD 4.36Å; I138-F206 HydrophobicContact CD1-CB 3.94Å; I138-F206 HydrophobicContact CD1-CD1 3.83Å; I138-F206 HydrophobicContact CD1-CD2 4.33Å; I138-F206 HydrophobicContact CD1-CE1 4.45Å; I138-F206 HydrophobicContact CD1-CG 3.77Å; I138-F206 HydrophobicContact CG1-CB 4.2Å; I138-F206 HydrophobicContact CG1-CD1 4.12Å; I138-F206 HydrophobicContact CG1-CD2 3.79Å; I138-F206 HydrophobicContact CG1-CE1 4.49Å; I138-F206 HydrophobicContact CG1-CE2 4.18Å; I138-F206 HydrophobicContact CG1-CG 3.77Å; I138-F229 HydrophobicContact CB-CD1 4.47Å; I138-F229 HydrophobicContact CB-CG 4.36Å; I138-F229 HydrophobicContact CD1-CB 3.91Å; I138-F229 HydrophobicContact CD1-CD1 3.87Å; I138-F229 HydrophobicContact CD1-CG 4.04Å; I138-F229 HydrophobicContact CG2-CD1 3.77Å; I138-F229 HydrophobicContact CG2-CD2 4.1Å; I138-F229 HydrophobicContact CG2-CE1 3.71Å; I138-F229 HydrophobicContact CG2-CE2 4.05Å; I138-F229 HydrophobicContact CG2-CG 3.97Å; I138-F229 HydrophobicContact CG2-CZ 3.87Å; I138-A232 HydrophobicContact CD1-CB 3.63Å |
| 139 | M | 86.5 | Confident | 78.5 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.2 | -16.1 | -175.7 | -58 | 179.7 | 79.4 | 0 | 0 | 113.6 | E135 H141 V148 L150 M164 F229 | E135-M139 HydrophobicContact CG-CG 4.48Å; E135-M139 HydrophobicContact CG-SD 3.69Å; E135-M139 WeakPolarHBondContact O-CB 3.16Å; E135-M139 WeakPolarHBondContact O-CG 3.23Å; E135-M139 PolarHBondContact O-N 3.37Å; E135-M139 VanDerWaalsContact O-N 3.11Å; M139-H141 VanDerWaalsContact C-N 3.33Å; M139-V148 WeakPolarHBondContact CB-O 3.28Å; M139-V148 HydrophobicContact CE-CB 3.76Å; M139-V148 HydrophobicContact CE-CG1 3.56Å; M139-V148 WeakPolarHBondContact CE-O 3.29Å; M139-L150 HydrophobicContact CB-CB 3.67Å; M139-L150 WeakPolarHBondContact O-CB 2.5Å; M139-L150 PolarHBondContact O-N 2.89Å; M139-M164 HydrophobicContact CE-CB 4.38Å; M139-M164 HydrophobicContact CE-CG 3.85Å; M139-M164 HydrophobicContact CE-SD 3.56Å; M139-M164 VanDerWaalsContact CE-SD 3.56Å; M139-M164 HydrophobicContact SD-SD 4.43Å; M139-F229 HydrophobicContact CG-CD2 3.49Å; M139-F229 VanDerWaalsContact CG-CD2 3.49Å; M139-F229 HydrophobicContact CG-CE2 3.69Å; M139-F229 HydrophobicContact SD-CD2 3.91Å; M139-F229 HydrophobicContact SD-CE2 4.35Å |
| 140 | S | 81.2 | Confident | 80.3 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76.2 | -17.7 | 172.9 | 72.4 | 0 | 0 | 0 | 0 | 113.9 | K136 E137 I138 G142 | K136-S140 WeakPolarHBondContact O-CB 3.06Å; K136-S140 PolarHBondContact O-N 3.47Å; K136-S140 PolarHBondContact O-OG 2.92Å; E137-S140 PolarHBondContact O-N 3.26Å; E137-S140 PolarHBondContact O-OG 2.73Å; I138-S140 PolarHBondContact O-N 3.15Å; S140-G142 PolarHBondContact O-N 2.86Å |
| 141 | H | 72.3 | Confident | 81.9 | Confident | 64 Ų | 64 | 37.6 Ų | 37.6 | 30% | 0.296 | 19% | 0.19 | S | C | . | . | trans | -77.3 | 57.7 | 172 | -68.7 | 86.8 | 0 | 0 | 0 | 111.5 | F34 E137 I138 M139 E143 S144 M204 | F34-H141 AromaticContact CE1-CE1 3.53Å; F34-H141 AromaticContact CE1-NE2 3.98Å; F34-H141 AromaticContact CZ-CE1 3.65Å; F34-H141 AromaticContact CZ-NE2 3.64Å; E137-H141 PolarHBondContact O-ND1 2.87Å; I138-H141 WeakPolarHBondContact O-CB 3.25Å; I138-H141 PolarHBondContact O-N 3.36Å; I138-H141 VanDerWaalsContact O-N 3.07Å; M139-H141 VanDerWaalsContact C-N 3.33Å; H141-E143 PolarHBondContact O-N 2.62Å; H141-S144 PolarHBondContact O-N 3.31Å; H141-M204 HydrophobicContact CB-CE 3.57Å; H141-M204 HydrophobicContact CB-SD 3.89Å | ||
| 142 | G | 61.1 | Low | 83 | Confident | 30 Ų | 30 | 35.3 Ų | 35.3 | 31% | 0.309 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 22.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | S140 | S140-G142 PolarHBondContact O-N 2.86Š|
| 143 | E | 71.9 | Confident | 83.7 | Confident | 195 Ų | 195 | 35.2 Ų | 35.2 | 91% | 0.911 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -22.3 | 167.9 | -60.4 | -170.4 | 163.5 | 0 | 0 | 111.6 | H141 | H141-E143 PolarHBondContact O-N 2.62Š|
| 144 | S | 89.6 | Confident | 84.1 | Confident | 12 Ų | 12 | 31.5 Ų | 31.5 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | trans | -76.1 | 127.8 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | H141 W146 D200 | H141-S144 PolarHBondContact O-N 3.31Å; S144-W146 PolarHBondContact O-N 2.75Å; S144-W146 PolarHBondContact OG-N 2.74Å; S144-W146 VanDerWaalsContact OG-N 3.16Å; S144-D200 WeakPolarHBondContact CB-OD2 3.5Å; S144-D200 PolarHBondContact OG-OD2 3.13Å | ||
| 145 | P | 92.8 | Very high | 84.1 | Confident | 59 Ų | 59 | 34.1 Ų | 34.1 | 38% | 0.383 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -73.5 | -15.8 | 171 | 32.1 | -34.4 | 0 | 0 | 0 | 112.4 | K225 | P145-K225 WeakPolarHBondContact O-CE 3.47Å; P145-K225 WeakPolarHBondContact O-CG 3.42Å; P145-K225 PolarHBondContact O-NZ 3.45Å |
| 146 | W | 94.5 | Very high | 83.8 | Confident | 24 Ų | 24 | 36.4 Ų | 36.4 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -92.4 | -15.4 | -171.6 | -50 | 116.7 | 0 | 0 | 0 | 114.4 | S144 E193 L196 A197 K225 L226 I383 R384 | S144-W146 PolarHBondContact O-N 2.75Å; S144-W146 PolarHBondContact OG-N 2.74Å; S144-W146 VanDerWaalsContact OG-N 3.16Å; W146-E193 HydrophobicContact CE3-CB 4.3Å; W146-E193 HydrophobicContact CH2-CB 4.47Å; W146-E193 HydrophobicContact CH2-CG 4.12Å; W146-E193 HydrophobicContact CZ3-CB 3.73Å; W146-E193 HydrophobicContact CZ3-CG 3.69Å; W146-L196 HydrophobicContact CD2-CB 3.96Å; W146-L196 HydrophobicContact CG-CB 4.31Å; W146-L196 HydrophobicContact CH2-CB 4.44Å; W146-L196 HydrophobicContact CH2-CD1 3.71Å; W146-L196 HydrophobicContact CZ2-CB 3.93Å; W146-L196 HydrophobicContact CZ2-CD1 3.45Å; W146-L196 VanDerWaalsContact CZ2-CD1 3.45Å; W146-L196 HydrophobicContact CZ2-CG 4.25Å; W146-A197 HydrophobicContact CB-CB 3.74Å; W146-K225 CarbonylContact O-C 3.17Å; W146-K225 VanDerWaalsContact O-CA 3.31Å; W146-K225 WeakPolarHBondContact O-CA 3.28Å; W146-L226 PolarHBondContact O-N 2.97Å; W146-I383 HydrophobicContact CH2-CG2 4.07Å; W146-R384 HydrophobicContact CH2-CB 3.56Å; W146-R384 HydrophobicContact CH2-CG 3.71Å; W146-R384 HydrophobicContact CZ2-CB 4.02Å; W146-R384 HydrophobicContact CZ2-CG 4.2Å; W146-R384 HydrophobicContact CZ3-CB 4.33Å; W146-R384 VanDerWaalsContact CZ3-CD 3.41Å; W146-R384 HydrophobicContact CZ3-CG 4.03Å |
| 147 | I | 94.3 | Very high | 83.3 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -99.4 | 145.6 | 177 | -57.5 | -61.3 | 0 | 0 | 0 | 108.5 | I138 Q149 M204 K225 L226 F229 | I138-I147 HydrophobicContact CG2-CD1 4.37Å; I138-I147 HydrophobicContact CG2-CG2 3.99Å; I147-Q149 PolarHBondContact O-N 3.39Å; I147-M204 HydrophobicContact CG1-CE 4.45Å; I147-K225 PolarHBondContact O-NZ 3Å; I147-L226 HydrophobicContact CD1-CB 4.45Å; I147-L226 HydrophobicContact CD1-CD2 4.47Å; I147-F229 HydrophobicContact CD1-CE1 4.07Å; I147-F229 HydrophobicContact CD1-CZ 3.71Å; I147-F229 HydrophobicContact CG2-CE2 3.91Å; I147-F229 HydrophobicContact CG2-CZ 3.84Å |
| 148 | V | 93.9 | Very high | 83.2 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 117.9 | 168.7 | 173.9 | 0 | 0 | 0 | 0 | 109.7 | M139 M164 E165 V167 L217 K225 L226 A227 | M139-V148 WeakPolarHBondContact CB-O 3.28Å; M139-V148 HydrophobicContact CE-CB 3.76Å; M139-V148 HydrophobicContact CE-CG1 3.56Å; M139-V148 WeakPolarHBondContact CE-O 3.29Å; V148-M164 HydrophobicContact CG1-CB 4.01Å; V148-E165 WeakPolarHBondContact CA-OE1 3.45Å; V148-E165 HydrophobicContact CG1-CG 3.91Å; V148-V167 HydrophobicContact CG1-CG2 4.47Å; V148-V167 HydrophobicContact CG2-CG2 3.99Å; V148-L217 HydrophobicContact CG2-CD1 4.33Å; V148-K225 HydrophobicContact CG2-CB 3.81Å; V148-L226 WeakPolarHBondContact CG2-O 3.5Å; V148-L226 PolarHBondContact N-O 3.44Å; V148-L226 VanDerWaalsContact N-O 3.15Å; V148-A227 HydrophobicContact CG2-CB 3.88Å |
| 149 | Q | 91.7 | Very high | 83.1 | Confident | 57 Ų | 57 | 42.5 Ų | 42.5 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -72.1 | 131.2 | -176.3 | -177 | 174 | 35.1 | 0 | 0 | 112.3 | I147 Y151 M164 E165 | I147-Q149 PolarHBondContact O-N 3.39Å; Q149-Y151 HydrophobicContact CG-CD1 4.17Å; Q149-Y151 HydrophobicContact CG-CE1 4.16Å; Q149-Y151 VanDerWaalsContact OE1-CE1 3.3Å; Q149-M164 CarbonylContact O-C 3.41Å; Q149-M164 VanDerWaalsContact O-CA 3.22Å; Q149-M164 WeakPolarHBondContact O-CA 3.22Å; Q149-E165 HydrophobicContact CB-CG 4.42Å; Q149-E165 WeakPolarHBondContact CB-OE1 3.44Å; Q149-E165 PolarHBondContact N-OE1 2.97Å; Q149-E165 PolarHBondContact O-N 3.48Å |
| 150 | L | 89.9 | Confident | 83 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 116.3 | 166.1 | -172 | 70.3 | 0 | 0 | 0 | 110.2 | K136 M139 Y152 A153 M162 M164 S494 | K136-L150 HydrophobicContact CG-CD2 3.74Å; M139-L150 HydrophobicContact CB-CB 3.67Å; M139-L150 WeakPolarHBondContact O-CB 2.5Å; M139-L150 PolarHBondContact O-N 2.89Å; L150-Y152 WeakPolarHBondContact CD1-O 3.41Å; L150-A153 HydrophobicContact CD1-CB 4.27Å; L150-A153 HydrophobicContact CD2-CB 4.04Å; L150-M162 HydrophobicContact CD1-CB 3.67Å; L150-M162 HydrophobicContact CD1-CG 4.18Å; L150-M164 HydrophobicContact CD1-CG 4.11Å; L150-S494 PolarHBondContact O-OG 2.92Å |
| 151 | Y | 86.8 | Confident | 83.4 | Confident | 43 Ų | 43 | 41.8 Ų | 41.8 | 17% | 0.169 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -50.5 | 171.3 | -58.7 | -42.4 | 0 | 0 | 0 | 110.9 | R113 Q149 V163 E165 S494 | R113-Y151 VanDerWaalsContact NH1-CZ 3.28Å; Q149-Y151 HydrophobicContact CG-CD1 4.17Å; Q149-Y151 HydrophobicContact CG-CE1 4.16Å; Q149-Y151 VanDerWaalsContact OE1-CE1 3.3Å; Y151-V163 PolarHBondContact N-O 3Å; Y151-E165 HydrophobicContact CE2-CB 4.17Å; Y151-E165 WeakPolarHBondContact OH-CB 3.25Å; Y151-S494 PolarHBondContact O-OG 2.95Å |
| 152 | Y | 83.1 | Confident | 84.2 | Confident | 31 Ų | 31 | 38.9 Ų | 38.9 | 12% | 0.122 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147.2 | -179.1 | -44 | -57.9 | 0 | 0 | 0 | 108.8 | R84 F89 L150 V163 F493 | R84-Y152 VanDerWaalsContact NH2-CZ 3.33Å; R84-Y152 PolarHBondContact NH2-OH 3.01Å; F89-Y152 HydrophobicContact CE1-CD2 4.48Å; F89-Y152 HydrophobicContact CZ-CD2 4.03Å; L150-Y152 WeakPolarHBondContact CD1-O 3.41Å; Y152-V163 HydrophobicContact CD2-CB 4.24Å; Y152-V163 HydrophobicContact CD2-CG1 4.14Å; Y152-V163 PolarHBondContact N-O 3.27Å; Y152-V163 VanDerWaalsContact N-O 3.13Å; Y152-V163 WeakPolarHBondContact O-CA 3.22Å; Y152-V163 PolarHBondContact O-N 3.47Å; Y152-F493 HydrophobicContact CD1-CD1 4.32Å; Y152-F493 HydrophobicContact CD1-CE1 4.22Å; Y152-F493 AromaticContact CE1-CD1 3.83Å; Y152-F493 HydrophobicContact CE1-CD1 3.83Å; Y152-F493 AromaticContact CE1-CE1 3.54Å; Y152-F493 HydrophobicContact CE1-CE1 3.54Å; Y152-F493 HydrophobicContact CE1-CZ 4.38Å |
| 153 | A | 83.4 | Confident | 85.7 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 155.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | L150 Y161 M162 F491 | L150-A153 HydrophobicContact CD1-CB 4.27Å; L150-A153 HydrophobicContact CD2-CB 4.04Å; A153-Y161 CarbonylContact C-O 3.58Å; A153-Y161 WeakPolarHBondContact CA-O 3.34Å; A153-Y161 VanDerWaalsContact CB-O 3.3Å; A153-Y161 WeakPolarHBondContact CB-O 3.41Å; A153-M162 HydrophobicContact CB-CG 4.14Å; A153-F491 VanDerWaalsContact C-CE1 3.41Å; A153-F491 HydrophobicContact CB-CD1 3.72Å; A153-F491 HydrophobicContact CB-CE1 3.28Å; A153-F491 HydrophobicContact CB-CZ 4.21Å; A153-F491 WeakPolarHBondContact O-CB 3.48Å; A153-F491 WeakPolarHBondContact O-CD1 3.36Å; A153-F491 VanDerWaalsContact O-CG 3.26Å; A153-F491 WeakPolarHBondContact O-CG 3.33Å |
| 154 | Y | 82.3 | Confident | 86.7 | Confident | 5 Ų | 5 | 29 Ų | 29 | 2% | 0.02 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 177.8 | 176.6 | 57.5 | -88.5 | 0 | 0 | 0 | 110.4 | R84 K85 P86 F89 M117 Y161 V163 | R84-Y154 HydrophobicContact CB-CD1 3.6Å; R84-Y154 HydrophobicContact CB-CD2 4.5Å; R84-Y154 HydrophobicContact CB-CE1 4.1Å; R84-Y154 HydrophobicContact CB-CG 3.83Å; R84-Y154 WeakPolarHBondContact O-CD2 3.42Å; K85-Y154 VanDerWaalsContact C-CE2 3.47Å; P86-Y154 HydrophobicContact CG-CE2 4.28Å; F89-Y154 HydrophobicContact CD2-CE1 4.35Å; F89-Y154 VanDerWaalsContact CD2-OH 3.29Å; F89-Y154 WeakPolarHBondContact CD2-OH 3.26Å; F89-Y154 AromaticContact CE2-CE1 3.61Å; F89-Y154 HydrophobicContact CE2-CE1 3.61Å; F89-Y154 AromaticContact CE2-CZ 3.8Å; F89-Y154 WeakPolarHBondContact CE2-OH 3.24Å; F89-Y154 HydrophobicContact CZ-CE1 4.25Å; M117-Y154 PolarHBondContact SD-OH 3.27Å; M117-Y154 VanDerWaalsContact SD-OH 3.33Å; Y154-Y161 AromaticContact CD2-CD2 3.54Å; Y154-Y161 HydrophobicContact CD2-CD2 3.54Å; Y154-Y161 HydrophobicContact CD2-CE2 4.39Å; Y154-Y161 AromaticContact CD2-CG 3.93Å; Y154-Y161 HydrophobicContact CD2-CG 3.93Å; Y154-Y161 HydrophobicContact CE2-CD1 4.11Å; Y154-Y161 AromaticContact CE2-CD2 3.27Å; Y154-Y161 HydrophobicContact CE2-CD2 3.27Å; Y154-Y161 AromaticContact CE2-CE2 4Å; Y154-Y161 HydrophobicContact CE2-CE2 4Å; Y154-Y161 AromaticContact CE2-CG 3.35Å; Y154-Y161 HydrophobicContact CE2-CG 3.35Å; Y154-Y161 VanDerWaalsContact CZ-CB 3.47Å; Y154-Y161 AromaticContact CZ-CG 3.69Å; Y154-Y161 PolarHBondContact N-O 3.19Å; Y154-Y161 PolarHBondContact O-N 2.95Å; Y154-V163 HydrophobicContact CE1-CG2 3.71Å |
| 155 | Q | 78.9 | Confident | 86.9 | Confident | 57 Ų | 57 | 29.8 Ų | 29.8 | 27% | 0.266 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 147.5 | -179.7 | 65.2 | -179.4 | -53.9 | 0 | 0 | 113 | D44 L160 A487 F491 | D44-Q155 PolarHBondContact OD2-NE2 3.01Å; Q155-L160 HydrophobicContact CB-CD2 3.55Å; Q155-A487 PolarHBondContact NE2-O 2.65Å; Q155-F491 HydrophobicContact CB-CD2 4.49Å; Q155-F491 HydrophobicContact CB-CE2 3.66Å; Q155-F491 HydrophobicContact CB-CZ 4.4Å; Q155-F491 HydrophobicContact CG-CD2 4.06Å; Q155-F491 HydrophobicContact CG-CE2 3.56Å |
| 156 | D | 75.3 | Confident | 87 | Confident | 53 Ų | 53 | 28.3 Ų | 28.3 | 28% | 0.283 | 13% | 0.134 | S | C | . | . | trans | -114.2 | -155.5 | 165.3 | 71.1 | 21.4 | 0 | 0 | 0 | 110.6 | K122 K158 N159 Y161 | K122-D156 PolarHBondContact NZ-O 2.87Å; D156-K158 WeakPolarHBondContact OD1-CA 3.47Å; D156-K158 PolarHBondContact OD1-N 2.99Å; D156-N159 PolarHBondContact N-O 2.99Å; D156-N159 PolarHBondContact OD1-N 2.93Å; D156-Y161 HydrophobicContact CB-CE2 4.16Å; D156-Y161 VanDerWaalsContact OD2-CE2 3.28Å; D156-Y161 WeakPolarHBondContact OD2-CE2 3.4Å; D156-Y161 PolarHBondContact OD2-OH 3.4Å | ||
| 157 | L | 72.2 | Confident | 87 | Confident | 94 Ų | 94 | 27.4 Ų | 27.4 | 49% | 0.492 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -78.3 | -26.9 | 178.5 | -54.6 | -173.9 | 0 | 0 | 0 | 114.4 | T51 | T51-L157 HydrophobicContact CG2-CD2 3.29Š|
| 158 | K | 79.9 | Confident | 87 | Confident | 85 Ų | 85 | 27.9 Ų | 27.9 | 37% | 0.37 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -101.5 | -37.3 | -175 | -67.1 | -173.8 | 175.7 | -173.3 | 0 | 112.8 | K122 D156 L478 L481 | K122-K158 WeakPolarHBondContact CB-O 3.49Å; K122-K158 WeakPolarHBondContact CG-O 3.45Å; K122-K158 PolarHBondContact N-O 2.71Å; D156-K158 WeakPolarHBondContact OD1-CA 3.47Å; D156-K158 PolarHBondContact OD1-N 2.99Å; K158-L478 HydrophobicContact CG-CD2 4.25Å; K158-L481 HydrophobicContact CB-CD1 4.45Å; K158-L481 HydrophobicContact CG-CD1 4.31Å |
| 159 | N | 84 | Confident | 86.9 | Confident | 25 Ų | 25 | 27.8 Ų | 27.8 | 13% | 0.134 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 156 | -162 | -59.9 | -31.1 | 0 | 0 | 0 | 112.8 | V119 L120 K122 D156 Y161 | V119-N159 HydrophobicContact CG1-CB 4.05Å; L120-N159 CarbonylContact O-C 3.55Å; L120-N159 VanDerWaalsContact O-CA 3.24Å; L120-N159 WeakPolarHBondContact O-CA 3.47Å; K122-N159 VanDerWaalsContact CE-O 3.27Å; K122-N159 WeakPolarHBondContact CE-O 3.43Å; D156-N159 PolarHBondContact N-O 2.99Å; D156-N159 PolarHBondContact OD1-N 2.93Å; N159-Y161 HydrophobicContact CB-CD2 4.34Å; N159-Y161 HydrophobicContact CB-CE1 4.24Å; N159-Y161 HydrophobicContact CB-CE2 3.67Å; N159-Y161 PolarHBondContact ND2-OH 2.88Å |
| 160 | L | 84.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 146.7 | 150.7 | -55.9 | -177.6 | 0 | 0 | 0 | 108.5 | L120 K122 M125 Y132 Q155 A487 F491 | L120-L160 HydrophobicContact CB-CB 4.27Å; L120-L160 HydrophobicContact CD1-CB 4.46Å; L120-L160 PolarHBondContact N-O 3.35Å; L120-L160 PolarHBondContact O-N 3.48Å; K122-L160 HydrophobicContact CG-CG 4.34Å; M125-L160 HydrophobicContact CE-CD1 3.73Å; M125-L160 HydrophobicContact SD-CD1 3.75Å; M125-L160 HydrophobicContact SD-CG 4.1Å; Y132-L160 HydrophobicContact CD1-CD1 4.48Å; Y132-L160 HydrophobicContact CD2-CD1 3.67Å; Y132-L160 HydrophobicContact CE2-CD1 3.93Å; Y132-L160 HydrophobicContact CG-CD1 4.01Å; Q155-L160 HydrophobicContact CB-CD2 3.55Å; L160-A487 HydrophobicContact CD1-CB 4.25Å; L160-A487 HydrophobicContact CD2-CB 4.22Å; L160-F491 HydrophobicContact CD2-CZ 4.47Å |
| 161 | Y | 89.5 | Confident | 87.1 | Confident | 15 Ų | 15 | 26.5 Ų | 26.5 | 6% | 0.059 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.5 | 176 | -58.7 | -90.8 | 0 | 0 | 0 | 108.5 | P86 M117 K118 V119 A153 Y154 D156 N159 | P86-Y161 HydrophobicContact CB-CE1 4.5Å; P86-Y161 HydrophobicContact CG-CE1 3.93Å; P86-Y161 HydrophobicContact CG-CE2 3.82Å; P86-Y161 VanDerWaalsContact CG-CZ 3.46Å; P86-Y161 WeakPolarHBondContact CG-OH 3.21Å; M117-Y161 HydrophobicContact CE-CD1 4.15Å; M117-Y161 HydrophobicContact CE-CE1 4.39Å; M117-Y161 HydrophobicContact CG-CD1 4.2Å; M117-Y161 HydrophobicContact SD-CD1 3.75Å; M117-Y161 HydrophobicContact SD-CE1 4.49Å; K118-Y161 WeakPolarHBondContact O-CA 3.34Å; V119-Y161 HydrophobicContact CB-CD1 4.47Å; V119-Y161 HydrophobicContact CB-CE1 4.42Å; V119-Y161 HydrophobicContact CG1-CD1 4.14Å; V119-Y161 HydrophobicContact CG1-CE1 3.68Å; V119-Y161 HydrophobicContact CG2-CD1 3.95Å; V119-Y161 HydrophobicContact CG2-CE1 4.04Å; A153-Y161 CarbonylContact C-O 3.58Å; A153-Y161 WeakPolarHBondContact CA-O 3.34Å; A153-Y161 VanDerWaalsContact CB-O 3.3Å; A153-Y161 WeakPolarHBondContact CB-O 3.41Å; Y154-Y161 AromaticContact CD2-CD2 3.54Å; Y154-Y161 HydrophobicContact CD2-CD2 3.54Å; Y154-Y161 HydrophobicContact CD2-CE2 4.39Å; Y154-Y161 AromaticContact CD2-CG 3.93Å; Y154-Y161 HydrophobicContact CD2-CG 3.93Å; Y154-Y161 HydrophobicContact CE2-CD1 4.11Å; Y154-Y161 AromaticContact CE2-CD2 3.27Å; Y154-Y161 HydrophobicContact CE2-CD2 3.27Å; Y154-Y161 AromaticContact CE2-CE2 4Å; Y154-Y161 HydrophobicContact CE2-CE2 4Å; Y154-Y161 AromaticContact CE2-CG 3.35Å; Y154-Y161 HydrophobicContact CE2-CG 3.35Å; Y154-Y161 VanDerWaalsContact CZ-CB 3.47Å; Y154-Y161 AromaticContact CZ-CG 3.69Å; Y154-Y161 PolarHBondContact N-O 3.19Å; Y154-Y161 PolarHBondContact O-N 2.95Å; D156-Y161 HydrophobicContact CB-CE2 4.16Å; D156-Y161 VanDerWaalsContact OD2-CE2 3.28Å; D156-Y161 WeakPolarHBondContact OD2-CE2 3.4Å; D156-Y161 PolarHBondContact OD2-OH 3.4Å; N159-Y161 HydrophobicContact CB-CD2 4.34Å; N159-Y161 HydrophobicContact CB-CE1 4.24Å; N159-Y161 HydrophobicContact CB-CE2 3.67Å; N159-Y161 PolarHBondContact ND2-OH 2.88Å |
| 162 | M | 89.4 | Confident | 87.4 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 112.9 | 168.6 | -66.2 | 168 | 173.8 | 0 | 0 | 107.4 | M117 K118 L120 Y132 E135 L150 A153 M164 | M117-M162 CarbonylContact C-O 3.51Å; M117-M162 VanDerWaalsContact CA-O 3.31Å; M117-M162 WeakPolarHBondContact CA-O 3.44Å; K118-M162 HydrophobicContact CB-CB 4.2Å; K118-M162 HydrophobicContact CD-SD 4.29Å; K118-M162 PolarHBondContact N-O 2.98Å; K118-M162 PolarHBondContact O-N 3.25Å; L120-M162 HydrophobicContact CD1-CE 3.96Å; L120-M162 HydrophobicContact CD1-SD 4.04Å; Y132-M162 HydrophobicContact CD2-CE 4.35Å; E135-M162 HydrophobicContact CB-CE 4.33Å; E135-M162 HydrophobicContact CG-CE 3.95Å; E135-M162 HydrophobicContact CG-SD 3.94Å; L150-M162 HydrophobicContact CD1-CB 3.67Å; L150-M162 HydrophobicContact CD1-CG 4.18Å; A153-M162 HydrophobicContact CB-CG 4.14Å; M162-M164 HydrophobicContact CB-CG 4.28Å; M162-M164 HydrophobicContact CB-SD 4.4Å |
| 163 | V | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 110 | 177.6 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | F89 C115 M117 Y151 Y152 Y154 | F89-V163 HydrophobicContact CE1-CG1 3.83Å; F89-V163 HydrophobicContact CE1-CG2 4.13Å; F89-V163 HydrophobicContact CE2-CG2 4.23Å; F89-V163 HydrophobicContact CZ-CG1 4.24Å; F89-V163 HydrophobicContact CZ-CG2 3.92Å; C115-V163 HydrophobicContact CB-CG1 3.55Å; M117-V163 HydrophobicContact CB-CG2 4.36Å; M117-V163 HydrophobicContact CG-CG2 3.99Å; M117-V163 HydrophobicContact SD-CG2 4.19Å; Y151-V163 PolarHBondContact N-O 3Å; Y152-V163 HydrophobicContact CD2-CB 4.24Å; Y152-V163 HydrophobicContact CD2-CG1 4.14Å; Y152-V163 PolarHBondContact N-O 3.27Å; Y152-V163 VanDerWaalsContact N-O 3.13Å; Y152-V163 WeakPolarHBondContact O-CA 3.22Å; Y152-V163 PolarHBondContact O-N 3.47Å; Y154-V163 HydrophobicContact CE1-CG2 3.71Å |
| 164 | M | 93 | Very high | 88 | Confident | 16 Ų | 16 | 25.3 Ų | 25.3 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 165.9 | -166.5 | -48 | 168.6 | -53.8 | 0 | 0 | 109 | V103 C115 A116 K118 M139 V148 Q149 L150 M162 | V103-M164 HydrophobicContact CG1-CE 4.23Å; C115-M164 WeakPolarHBondContact CA-O 3.48Å; C115-M164 WeakPolarHBondContact CB-O 3.26Å; A116-M164 HydrophobicContact CB-CE 3.77Å; A116-M164 PolarHBondContact N-O 2.87Å; A116-M164 WeakPolarHBondContact O-CB 3.28Å; A116-M164 PolarHBondContact O-N 2.87Å; K118-M164 HydrophobicContact CB-CE 3.88Å; K118-M164 HydrophobicContact CB-SD 4.1Å; M139-M164 HydrophobicContact CE-CB 4.38Å; M139-M164 HydrophobicContact CE-CG 3.85Å; M139-M164 HydrophobicContact CE-SD 3.56Å; M139-M164 VanDerWaalsContact CE-SD 3.56Å; M139-M164 HydrophobicContact SD-SD 4.43Å; V148-M164 HydrophobicContact CG1-CB 4.01Å; Q149-M164 CarbonylContact O-C 3.41Å; Q149-M164 VanDerWaalsContact O-CA 3.22Å; Q149-M164 WeakPolarHBondContact O-CA 3.22Å; L150-M164 HydrophobicContact CD1-CG 4.11Å; M162-M164 HydrophobicContact CB-CG 4.28Å; M162-M164 HydrophobicContact CB-SD 4.4Å |
| 165 | E | 93.4 | Very high | 88.4 | Confident | 30 Ų | 30 | 27 Ų | 27 | 14% | 0.14 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 144.9 | 163.7 | 68.7 | -177.1 | 128.3 | 0 | 0 | 110.8 | V148 Q149 Y151 V167 K225 | V148-E165 WeakPolarHBondContact CA-OE1 3.45Å; V148-E165 HydrophobicContact CG1-CG 3.91Å; Q149-E165 HydrophobicContact CB-CG 4.42Å; Q149-E165 WeakPolarHBondContact CB-OE1 3.44Å; Q149-E165 PolarHBondContact N-OE1 2.97Å; Q149-E165 PolarHBondContact O-N 3.48Å; Y151-E165 HydrophobicContact CE2-CB 4.17Å; Y151-E165 WeakPolarHBondContact OH-CB 3.25Å; E165-V167 HydrophobicContact CG-CG2 3.96Å; E165-K225 VanDerWaalsContact OE1-CE 3.28Å; E165-K225 WeakPolarHBondContact OE1-CE 3.37Å; E165-K225 IonicContact OE1-NZ 3.31Å; E165-K225 PolarHBondContact OE1-NZ 2.7Å; E165-K225 WeakPolarHBondContact OE2-CE 3.43Å; E165-K225 IonicContact OE2-NZ 2.68Å; E165-K225 PolarHBondContact OE2-NZ 3.41Å |
| 166 | Y | 94.8 | Very high | 89 | Confident | 27 Ų | 27 | 25.5 Ų | 25.5 | 11% | 0.106 | 13% | 0.129 | C | C | . | . | trans | -85.8 | 126.5 | 170.8 | 176.6 | -135.6 | 0 | 0 | 0 | 109.2 | L95 L105 V114 A116 P168 D399 F403 | L95-Y166 HydrophobicContact CD1-CD2 3.83Å; L95-Y166 HydrophobicContact CD1-CE2 3.66Å; L95-Y166 HydrophobicContact CD2-CE2 3.8Å; L95-Y166 HydrophobicContact CG-CE2 4.42Å; L105-Y166 HydrophobicContact CD1-CD1 3.5Å; L105-Y166 VanDerWaalsContact CD1-CD1 3.5Å; L105-Y166 HydrophobicContact CD1-CD2 3.63Å; L105-Y166 HydrophobicContact CD1-CE1 3.61Å; L105-Y166 HydrophobicContact CD1-CE2 3.78Å; L105-Y166 HydrophobicContact CD1-CG 3.51Å; L105-Y166 HydrophobicContact CD2-CE1 4.42Å; V114-Y166 HydrophobicContact CG1-CD1 3.96Å; V114-Y166 HydrophobicContact CG1-CG 4.44Å; A116-Y166 HydrophobicContact CB-CD2 4.47Å; Y166-P168 HydrophobicContact CD1-CB 4.18Å; Y166-P168 HydrophobicContact CE1-CB 3.69Å; Y166-P168 WeakPolarHBondContact O-CD 3.36Å; Y166-D399 PolarHBondContact OH-O 3.33Å; Y166-D399 VanDerWaalsContact OH-O 3.1Å; Y166-F403 AromaticContact CE2-CE2 3.7Å; Y166-F403 HydrophobicContact CE2-CE2 3.7Å; Y166-F403 AromaticContact CE2-CZ 3.75Å; Y166-F403 HydrophobicContact CE2-CZ 3.75Å; Y166-F403 AromaticContact CZ-CE2 3.96Å; Y166-F403 WeakPolarHBondContact OH-CE2 3.47Å | ||
| 167 | V | 94.7 | Very high | 89.5 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | trans | -110.6 | 92.6 | -176.2 | -174 | 0 | 0 | 0 | 0 | 107.8 | V148 E165 G169 L217 L218 D219 K225 F403 | V148-V167 HydrophobicContact CG1-CG2 4.47Å; V148-V167 HydrophobicContact CG2-CG2 3.99Å; E165-V167 HydrophobicContact CG-CG2 3.96Å; V167-G169 PolarHBondContact O-N 3.14Å; V167-L217 HydrophobicContact CB-CB 4.13Å; V167-L217 HydrophobicContact CB-CD1 4.19Å; V167-L217 HydrophobicContact CG1-CB 3.56Å; V167-L217 HydrophobicContact CG2-CD1 4.46Å; V167-L218 VanDerWaalsContact CG1-C 3.46Å; V167-L218 VanDerWaalsContact CG1-O 3.32Å; V167-L218 WeakPolarHBondContact CG1-O 3.3Å; V167-D219 HydrophobicContact CG1-CB 4.18Å; V167-K225 HydrophobicContact CG2-CD 4.1Å; V167-F403 WeakPolarHBondContact O-CZ 3.19Å | ||
| 168 | P | 93.8 | Very high | 90.1 | Very high | 13 Ų | 13 | 30 Ų | 30 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -11.8 | -154.4 | 31.8 | -39.8 | 0 | 0 | 0 | 116.3 | Y166 G170 A220 L394 | Y166-P168 HydrophobicContact CD1-CB 4.18Å; Y166-P168 HydrophobicContact CE1-CB 3.69Å; Y166-P168 WeakPolarHBondContact O-CD 3.36Å; P168-G170 PolarHBondContact O-N 3Å; P168-A220 HydrophobicContact CG-CB 3.86Å; P168-L394 HydrophobicContact CB-CD1 3.72Å; P168-L394 HydrophobicContact CB-CD2 3.87Å; P168-L394 HydrophobicContact CB-CG 4.47Å; P168-L394 HydrophobicContact CG-CD1 3.46Å; P168-L394 VanDerWaalsContact CG-CD1 3.46Å; P168-L394 HydrophobicContact CG-CD2 4.44Å |
| 169 | G | 92.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 10.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | V167 L218 F390 Y402 | V167-G169 PolarHBondContact O-N 3.14Å; G169-L218 CarbonylContact C-O 3.57Å; G169-L218 WeakPolarHBondContact CA-O 3.26Å; G169-L218 PolarHBondContact N-O 2.88Å; G169-F390 WeakPolarHBondContact O-CE1 3.11Å; G169-Y402 VanDerWaalsContact C-CB 3.49Å |
| 170 | G | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 75.1 | -152.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P168 L217 L218 Y402 | P168-G170 PolarHBondContact O-N 3Å; G170-L217 CarbonylContact O-C 3.59Å; G170-L217 VanDerWaalsContact O-CA 3.27Å; G170-L217 WeakPolarHBondContact O-CA 3.41Å; G170-L218 PolarHBondContact O-N 3.44Å; G170-Y402 VanDerWaalsContact CA-O 3.27Å; G170-Y402 WeakPolarHBondContact CA-O 3.35Å | ||
| 171 | N | 92.8 | Very high | 89.5 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 19% | 0.193 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -108 | 163.7 | 175.1 | 66.4 | 7.5 | 0 | 0 | 0 | 111.7 | V173 S174 D214 L216 L217 | N171-V173 PolarHBondContact O-N 3.36Å; N171-S174 WeakPolarHBondContact O-CB 3.41Å; N171-S174 PolarHBondContact O-N 2.75Å; N171-S174 VanDerWaalsContact O-N 3.08Å; N171-S174 WeakPolarHBondContact OD1-CB 3.28Å; N171-S174 PolarHBondContact OD1-N 3Å; N171-S174 PolarHBondContact OD1-OG 3.31Å; N171-D214 WeakPolarHBondContact CB-O 3.1Å; N171-L216 CarbonylContact C-O 3.38Å; N171-L216 WeakPolarHBondContact CA-O 3.43Å; N171-L217 HydrophobicContact CB-CD2 3.69Å |
| 172 | L | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -25.7 | -177.4 | -168.8 | 65.3 | 0 | 0 | 0 | 112.6 | W175 M176 M182 Y190 P213 L216 L218 M285 | L172-W175 PolarHBondContact O-N 3.42Å; L172-M176 HydrophobicContact CG-SD 4.1Å; L172-M176 VanDerWaalsContact O-CG 3.31Å; L172-M176 WeakPolarHBondContact O-CG 3.06Å; L172-M176 PolarHBondContact O-N 3.23Å; L172-M182 HydrophobicContact CD1-CE 4.12Å; L172-Y190 HydrophobicContact CD1-CD2 4.02Å; L172-Y190 HydrophobicContact CD1-CE2 4.24Å; L172-Y190 HydrophobicContact CD1-CG 4.17Å; L172-P213 HydrophobicContact CB-CB 3.93Å; L172-P213 HydrophobicContact CD2-CB 4.29Å; L172-P213 HydrophobicContact CG-CB 4.32Å; L172-P213 PolarHBondContact N-O 3.5Å; L172-L216 HydrophobicContact CB-CB 4.06Å; L172-L216 HydrophobicContact CD2-CB 4.28Å; L172-L216 HydrophobicContact CD2-CD1 3.83Å; L172-L216 PolarHBondContact N-O 2.87Å; L172-L218 HydrophobicContact CD1-CD1 4.03Å; L172-L218 HydrophobicContact CD1-CD2 4.39Å; L172-M285 HydrophobicContact CD2-SD 3.82Å |
| 173 | V | 91.7 | Very high | 89.5 | Confident | 36 Ų | 36 | 40.4 Ų | 40.4 | 22% | 0.218 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.8 | -48.3 | 169.8 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | N171 W175 M176 D177 P213 D214 | N171-V173 PolarHBondContact O-N 3.36Å; V173-W175 PolarHBondContact O-N 2.83Å; V173-M176 PolarHBondContact O-N 3.36Å; V173-D177 PolarHBondContact O-N 2.81Å; V173-P213 HydrophobicContact CG2-CB 3.8Å; V173-D214 HydrophobicContact CG2-CB 4.41Å |
| 174 | S | 88.2 | Confident | 89.5 | Confident | 26 Ų | 26 | 41.3 Ų | 41.3 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.8 | -26.5 | -177.3 | -58 | 0 | 0 | 0 | 0 | 112.9 | N171 | N171-S174 WeakPolarHBondContact O-CB 3.41Å; N171-S174 PolarHBondContact O-N 2.75Å; N171-S174 VanDerWaalsContact O-N 3.08Å; N171-S174 WeakPolarHBondContact OD1-CB 3.28Å; N171-S174 PolarHBondContact OD1-N 3Å; N171-S174 PolarHBondContact OD1-OG 3.31Å |
| 175 | W | 90.6 | Very high | 89.4 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -81.5 | -39.2 | 172.2 | 175.9 | -112.4 | 0 | 0 | 0 | 112.4 | L172 V173 D177 E178 V179 L218 F390 | L172-W175 PolarHBondContact O-N 3.42Å; V173-W175 PolarHBondContact O-N 2.83Å; W175-D177 VanDerWaalsContact C-N 3.33Å; W175-D177 PolarHBondContact O-N 3.24Å; W175-E178 PolarHBondContact O-N 3.24Å; W175-E178 VanDerWaalsContact O-N 3.09Å; W175-V179 HydrophobicContact CD2-CG1 4.11Å; W175-V179 HydrophobicContact CE3-CG1 4.31Å; W175-V179 HydrophobicContact CH2-CG1 4.07Å; W175-V179 HydrophobicContact CZ2-CG1 3.85Å; W175-V179 HydrophobicContact CZ3-CG1 4.27Å; W175-V179 WeakPolarHBondContact O-CG2 3.32Å; W175-V179 PolarHBondContact O-N 3.12Å; W175-V179 VanDerWaalsContact O-N 3.09Å; W175-L218 HydrophobicContact CB-CD1 4.3Å; W175-F390 HydrophobicContact CD2-CB 3.91Å; W175-F390 HydrophobicContact CD2-CD2 4Å; W175-F390 HydrophobicContact CD2-CG 4.02Å; W175-F390 HydrophobicContact CE3-CB 4.09Å; W175-F390 AromaticContact CE3-CD2 3.3Å; W175-F390 HydrophobicContact CE3-CD2 3.3Å; W175-F390 AromaticContact CE3-CE2 3.78Å; W175-F390 HydrophobicContact CE3-CE2 3.78Å; W175-F390 AromaticContact CE3-CG 3.8Å; W175-F390 HydrophobicContact CE3-CG 3.8Å; W175-F390 HydrophobicContact CG-CB 4.48Å; W175-F390 HydrophobicContact CH2-CB 4.14Å; W175-F390 AromaticContact CH2-CD2 3.85Å; W175-F390 HydrophobicContact CH2-CD2 3.85Å; W175-F390 HydrophobicContact CH2-CG 4.42Å; W175-F390 HydrophobicContact CZ2-CB 3.95Å; W175-F390 HydrophobicContact CZ2-CD2 4.47Å; W175-F390 HydrophobicContact CZ3-CB 4.23Å; W175-F390 AromaticContact CZ3-CD2 3.24Å; W175-F390 HydrophobicContact CZ3-CD2 3.24Å; W175-F390 AromaticContact CZ3-CE2 3.84Å; W175-F390 HydrophobicContact CZ3-CE2 3.84Å; W175-F390 HydrophobicContact CZ3-CG 4.03Å |
| 176 | M | 90.3 | Very high | 89.3 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 174.3 | -72.3 | 164 | 57.3 | 0 | 0 | 111.8 | L172 V173 E178 V179 E180 M182 P213 E284 M285 | L172-M176 HydrophobicContact CG-SD 4.1Å; L172-M176 VanDerWaalsContact O-CG 3.31Å; L172-M176 WeakPolarHBondContact O-CG 3.06Å; L172-M176 PolarHBondContact O-N 3.23Å; V173-M176 PolarHBondContact O-N 3.36Å; M176-E178 VanDerWaalsContact C-N 3.26Å; M176-E178 PolarHBondContact O-N 3.29Å; M176-V179 PolarHBondContact O-N 3.09Å; M176-E180 PolarHBondContact O-N 3.43Å; M176-M182 HydrophobicContact CG-CE 4.01Å; M176-P213 HydrophobicContact CE-CG 4.34Å; M176-P213 HydrophobicContact SD-CB 3.97Å; M176-P213 HydrophobicContact SD-CG 4.1Å; M176-E284 HydrophobicContact CE-CB 4.2Å; M176-E284 HydrophobicContact CE-CG 3.68Å; M176-M285 HydrophobicContact CE-CG 4.35Å; M176-M285 HydrophobicContact SD-CG 3.8Å |
| 177 | D | 86.8 | Confident | 89.3 | Confident | 113 Ų | 113 | 38.1 Ų | 38.1 | 60% | 0.604 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -62 | -29.1 | 171.7 | -77 | -20.8 | 0 | 0 | 0 | 112.8 | V173 W175 | V173-D177 PolarHBondContact O-N 2.81Å; W175-D177 VanDerWaalsContact C-N 3.33Å; W175-D177 PolarHBondContact O-N 3.24Å |
| 178 | E | 85 | Confident | 89.3 | Confident | 128 Ų | 128 | 37.9 Ų | 37.9 | 60% | 0.598 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -80.4 | -34.8 | 178.1 | -172.3 | 174.7 | 179 | 0 | 0 | 112.5 | W175 M176 | W175-E178 PolarHBondContact O-N 3.24Å; W175-E178 VanDerWaalsContact O-N 3.09Å; M176-E178 VanDerWaalsContact C-N 3.26Å; M176-E178 PolarHBondContact O-N 3.29Å |
| 179 | V | 84.1 | Confident | 89.4 | Confident | 52 Ų | 52 | 37.2 Ų | 37.2 | 32% | 0.315 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -98.4 | -14.5 | -174.5 | -55.1 | 0 | 0 | 0 | 0 | 115.4 | W175 M176 F181 | W175-V179 HydrophobicContact CD2-CG1 4.11Å; W175-V179 HydrophobicContact CE3-CG1 4.31Å; W175-V179 HydrophobicContact CH2-CG1 4.07Å; W175-V179 HydrophobicContact CZ2-CG1 3.85Å; W175-V179 HydrophobicContact CZ3-CG1 4.27Å; W175-V179 WeakPolarHBondContact O-CG2 3.32Å; W175-V179 PolarHBondContact O-N 3.12Å; W175-V179 VanDerWaalsContact O-N 3.09Å; M176-V179 PolarHBondContact O-N 3.09Å; V179-F181 PolarHBondContact O-N 3.21Å |
| 180 | E | 72.4 | Confident | 89.5 | Confident | 148 Ų | 148 | 37.1 Ų | 37.1 | 69% | 0.692 | 19% | 0.19 | S | C | * | . | S | Bend | trans | 63.1 | -46.5 | -171.8 | -158.1 | -174.9 | 170.6 | 0 | 0 | 114.5 | M176 | M176-E180 PolarHBondContact O-N 3.43Š|
| 181 | F | 79.7 | Confident | 89.8 | Confident | 99 Ų | 99 | 37.1 Ų | 37.1 | 43% | 0.434 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -139.3 | 131.2 | 173.8 | -58.1 | -83 | 0 | 0 | 0 | 110.3 | V179 | V179-F181 PolarHBondContact O-N 3.21Š|
| 182 | M | 87.6 | Confident | 89.9 | Confident | 12 Ų | 12 | 35.4 Ų | 35.4 | 6% | 0.059 | 18% | 0.181 | C | C | . | . | trans | -84.6 | 138.5 | 178.4 | -165.7 | 174.5 | -56.3 | 0 | 0 | 111.2 | L172 M176 A186 C187 Y190 M285 | L172-M182 HydrophobicContact CD1-CE 4.12Å; M176-M182 HydrophobicContact CG-CE 4.01Å; M182-A186 HydrophobicContact CG-CB 3.53Å; M182-A186 VanDerWaalsContact SD-C 3.56Å; M182-A186 HydrophobicContact SD-CB 3.85Å; M182-C187 HydrophobicContact CG-CB 4.44Å; M182-C187 HydrophobicContact SD-CB 4.27Å; M182-C187 PolarHBondContact SD-N 2.92Å; M182-Y190 HydrophobicContact CE-CD2 4.24Å; M182-Y190 HydrophobicContact SD-CD2 3.81Å; M182-Y190 HydrophobicContact SD-CE2 4.42Å; M182-M285 HydrophobicContact CB-CB 4.23Å; M182-M285 WeakPolarHBondContact CB-O 3.47Å; M182-M285 HydrophobicContact CE-CB 4.32Å; M182-M285 HydrophobicContact CE-CG 3.85Å; M182-M285 HydrophobicContact CE-SD 3.72Å; M182-M285 PolarHBondContact N-O 3.03Å; M182-M285 HydrophobicContact SD-CB 4.34Å; M182-M285 HydrophobicContact SD-CG 4.24Å; M182-M285 HydrophobicContact SD-SD 3.67Å; M182-M285 VanDerWaalsContact SD-SD 3.67Å | ||
| 183 | S | 89.8 | Confident | 90 | Very high | 39 Ų | 39 | 35.4 Ų | 35.4 | 27% | 0.273 | 18% | 0.181 | S | C | . | . | trans | -63.3 | 150.9 | 172.4 | 75.2 | 0 | 0 | 0 | 0 | 111 | A185 A186 C187 D372 | S183-A185 PolarHBondContact O-N 2.84Å; S183-A186 PolarHBondContact O-N 3.16Å; S183-A186 VanDerWaalsContact O-N 3.13Å; S183-A186 PolarHBondContact OG-N 2.84Å; S183-C187 WeakPolarHBondContact O-CB 3.49Å; S183-C187 PolarHBondContact O-N 3.38Å; S183-D372 WeakPolarHBondContact CB-OD1 3.31Å; S183-D372 PolarHBondContact OG-OD1 2.99Å | ||
| 184 | E | 91.6 | Very high | 90.3 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 9% | 0.089 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -29 | 179.5 | -165.7 | -178.1 | 138.9 | 0 | 0 | 111.7 | R188 L286 V319 S320 C323 W353 W358 | E184-R188 WeakPolarHBondContact O-CB 3.34Å; E184-R188 PolarHBondContact O-N 3.37Å; E184-L286 HydrophobicContact CB-CD2 4.34Å; E184-L286 HydrophobicContact CG-CD2 4.49Å; E184-V319 WeakPolarHBondContact OE2-CA 3.43Å; E184-S320 VanDerWaalsContact OE1-CB 3.29Å; E184-S320 WeakPolarHBondContact OE1-CB 3.46Å; E184-S320 PolarHBondContact OE1-OG 3.4Å; E184-S320 PolarHBondContact OE2-N 2.79Å; E184-C323 HydrophobicContact CG-CB 4.37Å; E184-C323 WeakPolarHBondContact OE1-CB 3.27Å; E184-W353 HydrophobicContact CG-CZ2 4.16Å; E184-W353 PolarHBondContact OE1-NE1 3.01Å; E184-W358 HydrophobicContact CB-CZ2 4.01Å; E184-W358 HydrophobicContact CG-CZ2 3.74Å; E184-W358 WeakPolarHBondContact OE1-CZ2 3.17Å; E184-W358 PolarHBondContact OE1-NE1 3.32Å |
| 185 | A | 91.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.1 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S183 R188 F189 W358 L368 D372 I375 A376 | S183-A185 PolarHBondContact O-N 2.84Å; A185-R188 PolarHBondContact O-N 2.65Å; A185-F189 PolarHBondContact O-N 2.89Å; A185-W358 HydrophobicContact CB-CH2 4.01Å; A185-W358 HydrophobicContact CB-CZ3 4.45Å; A185-L368 HydrophobicContact CB-CD2 3.99Å; A185-D372 HydrophobicContact CB-CB 3.9Å; A185-I375 HydrophobicContact CB-CD1 4.13Å; A185-I375 HydrophobicContact CB-CG1 4.12Å; A185-A376 HydrophobicContact CB-CB 4.31Å |
| 186 | A | 92.7 | Very high | 90.8 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 5% | 0.05 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.6 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | M182 S183 F189 Y190 I375 P389 | M182-A186 HydrophobicContact CG-CB 3.53Å; M182-A186 VanDerWaalsContact SD-C 3.56Å; M182-A186 HydrophobicContact SD-CB 3.85Å; S183-A186 PolarHBondContact O-N 3.16Å; S183-A186 VanDerWaalsContact O-N 3.13Å; S183-A186 PolarHBondContact OG-N 2.84Å; A186-F189 WeakPolarHBondContact O-CB 3.17Å; A186-F189 PolarHBondContact O-N 3.3Å; A186-Y190 WeakPolarHBondContact O-CD2 3.46Å; A186-Y190 PolarHBondContact O-N 3.37Å; A186-I375 HydrophobicContact CB-CD1 3.93Å; A186-P389 HydrophobicContact CB-CB 3.58Å; A186-P389 HydrophobicContact CB-CG 3.72Å |
| 187 | C | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 173.7 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | M182 S183 F189 Y190 A191 L286 | M182-C187 HydrophobicContact CG-CB 4.44Å; M182-C187 HydrophobicContact SD-CB 4.27Å; M182-C187 PolarHBondContact SD-N 2.92Å; S183-C187 WeakPolarHBondContact O-CB 3.49Å; S183-C187 PolarHBondContact O-N 3.38Å; C187-F189 VanDerWaalsContact C-N 3.32Å; C187-F189 PolarHBondContact O-N 3.18Å; C187-Y190 PolarHBondContact O-N 3.28Å; C187-A191 WeakPolarHBondContact O-CB 3.25Å; C187-A191 PolarHBondContact O-N 2.87Å; C187-L286 HydrophobicContact CB-CD2 3.78Å; C187-L286 HydrophobicContact CB-CG 4.26Å |
| 188 | R | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.1 | -37.5 | 175.9 | -178.5 | -179.2 | 164.9 | -93 | -4.4 | 111.5 | E184 A185 A192 W353 F354 S355 A376 W378 | E184-R188 WeakPolarHBondContact O-CB 3.34Å; E184-R188 PolarHBondContact O-N 3.37Å; A185-R188 PolarHBondContact O-N 2.65Å; R188-A192 WeakPolarHBondContact O-CB 3.43Å; R188-A192 PolarHBondContact O-N 3.2Å; R188-A192 VanDerWaalsContact O-N 3.17Å; R188-W353 HydrophobicContact CB-CH2 4.21Å; R188-W353 HydrophobicContact CB-CZ2 3.62Å; R188-W353 WeakPolarHBondContact CD-O 3.45Å; R188-W353 HydrophobicContact CG-CD2 4.39Å; R188-W353 HydrophobicContact CG-CZ2 4.26Å; R188-W353 PolarHBondContact NE-O 2.68Å; R188-F354 HydrophobicContact CG-CD1 3.97Å; R188-F354 HydrophobicContact CG-CE1 4.21Å; R188-F354 PolarHBondContact NH2-O 2.65Å; R188-F354 VanDerWaalsContact NH2-O 3.08Å; R188-S355 PolarHBondContact NH2-O 3.24Å; R188-S355 VanDerWaalsContact NH2-O 3.17Å; R188-A376 PolarHBondContact NH1-O 3.15Å; R188-W378 HydrophobicContact CG-CZ2 4.05Å |
| 189 | F | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.9 | -56.6 | 174 | -174 | -79.7 | 0 | 0 | 0 | 111.9 | A185 A186 C187 A191 A192 E193 H223 W378 I383 A388 P389 | A185-F189 PolarHBondContact O-N 2.89Å; A186-F189 WeakPolarHBondContact O-CB 3.17Å; A186-F189 PolarHBondContact O-N 3.3Å; C187-F189 VanDerWaalsContact C-N 3.32Å; C187-F189 PolarHBondContact O-N 3.18Å; F189-A191 VanDerWaalsContact C-N 3.35Å; F189-A191 PolarHBondContact O-N 2.86Å; F189-A192 WeakPolarHBondContact O-CB 3.37Å; F189-A192 PolarHBondContact O-N 3.33Å; F189-A192 VanDerWaalsContact O-N 3.11Å; F189-E193 HydrophobicContact CD1-CG 4.32Å; F189-E193 HydrophobicContact CE1-CG 3.98Å; F189-E193 WeakPolarHBondContact CE1-OE2 3.35Å; F189-E193 HydrophobicContact CZ-CG 4.48Å; F189-E193 PolarHBondContact O-N 3.45Å; F189-H223 AromaticContact CZ-CE1 3.83Å; F189-H223 AromaticContact CZ-ND1 3.67Å; F189-W378 AromaticContact CD2-CD1 3.66Å; F189-W378 HydrophobicContact CD2-CG 4.5Å; F189-W378 AromaticContact CD2-NE1 3.71Å; F189-I383 HydrophobicContact CD2-CD1 4.04Å; F189-I383 HydrophobicContact CD2-CG1 3.92Å; F189-I383 HydrophobicContact CE2-CD1 4.14Å; F189-I383 HydrophobicContact CE2-CG1 3.54Å; F189-I383 HydrophobicContact CG-CD1 4.27Å; F189-I383 HydrophobicContact CZ-CD1 4.46Å; F189-I383 HydrophobicContact CZ-CG1 3.87Å; F189-A388 HydrophobicContact CE1-CB 3.92Å; F189-A388 HydrophobicContact CZ-CB 3.95Å; F189-P389 HydrophobicContact CB-CG 3.9Å; F189-P389 HydrophobicContact CD1-CG 3.96Å; F189-P389 HydrophobicContact CD2-CG 4.49Å; F189-P389 HydrophobicContact CG-CG 3.88Å |
| 190 | Y | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.8 | -31.7 | -177.4 | -70.3 | -58.1 | 0 | 0 | 0 | 113.2 | L172 M182 A186 C187 A192 T194 L218 G222 L224 P389 F390 | L172-Y190 HydrophobicContact CD1-CD2 4.02Å; L172-Y190 HydrophobicContact CD1-CE2 4.24Å; L172-Y190 HydrophobicContact CD1-CG 4.17Å; M182-Y190 HydrophobicContact CE-CD2 4.24Å; M182-Y190 HydrophobicContact SD-CD2 3.81Å; M182-Y190 HydrophobicContact SD-CE2 4.42Å; A186-Y190 WeakPolarHBondContact O-CD2 3.46Å; A186-Y190 PolarHBondContact O-N 3.37Å; C187-Y190 PolarHBondContact O-N 3.28Å; Y190-A192 VanDerWaalsContact C-N 3.34Å; Y190-A192 PolarHBondContact O-N 2.93Å; Y190-T194 WeakPolarHBondContact O-CB 3.03Å; Y190-T194 PolarHBondContact O-N 2.8Å; Y190-T194 PolarHBondContact O-OG1 3.19Å; Y190-L218 HydrophobicContact CD1-CD2 4.13Å; Y190-L218 HydrophobicContact CE1-CD2 3.58Å; Y190-G222 WeakPolarHBondContact CE1-O 3.3Å; Y190-G222 PolarHBondContact OH-O 3.31Å; Y190-L224 HydrophobicContact CD1-CB 4.47Å; Y190-L224 HydrophobicContact CD1-CD1 4.39Å; Y190-P389 HydrophobicContact CD2-CG 4.37Å; Y190-P389 HydrophobicContact CE2-CB 3.96Å; Y190-P389 HydrophobicContact CE2-CG 3.75Å; Y190-F390 VanDerWaalsContact OH-CB 3.31Å; Y190-F390 WeakPolarHBondContact OH-CB 3.3Å; Y190-F390 PolarHBondContact OH-N 3.34Å |
| 191 | A | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C187 F189 T194 I195 I282 W353 F354 | C187-A191 WeakPolarHBondContact O-CB 3.25Å; C187-A191 PolarHBondContact O-N 2.87Å; F189-A191 VanDerWaalsContact C-N 3.35Å; F189-A191 PolarHBondContact O-N 2.86Å; A191-T194 PolarHBondContact O-N 3.07Å; A191-I195 WeakPolarHBondContact O-CD1 3.37Å; A191-I195 VanDerWaalsContact O-CG1 3.24Å; A191-I195 WeakPolarHBondContact O-CG1 3.43Å; A191-I195 PolarHBondContact O-N 3.47Å; A191-I282 HydrophobicContact CB-CD1 3.83Å; A191-I282 HydrophobicContact CB-CG1 3.9Å; A191-W353 HydrophobicContact CB-CH2 3.83Å; A191-W353 HydrophobicContact CB-CZ3 3.72Å; A191-F354 HydrophobicContact CB-CE1 4.24Å; A191-F354 HydrophobicContact CB-CZ 4.23Å |
| 192 | A | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -67.7 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | R188 F189 Y190 T194 I195 L196 F354 W378 W380 I383 | R188-A192 WeakPolarHBondContact O-CB 3.43Å; R188-A192 PolarHBondContact O-N 3.2Å; R188-A192 VanDerWaalsContact O-N 3.17Å; F189-A192 WeakPolarHBondContact O-CB 3.37Å; F189-A192 PolarHBondContact O-N 3.33Å; F189-A192 VanDerWaalsContact O-N 3.11Å; Y190-A192 VanDerWaalsContact C-N 3.34Å; Y190-A192 PolarHBondContact O-N 2.93Å; A192-T194 VanDerWaalsContact C-N 3.31Å; A192-T194 PolarHBondContact O-N 3.05Å; A192-I195 PolarHBondContact O-N 3.31Å; A192-L196 WeakPolarHBondContact O-CG 3.26Å; A192-L196 PolarHBondContact O-N 2.94Å; A192-L196 VanDerWaalsContact O-N 3.09Å; A192-F354 HydrophobicContact CB-CD1 4.32Å; A192-F354 HydrophobicContact CB-CE1 4.1Å; A192-W378 HydrophobicContact CB-CH2 3.24Å; A192-W378 HydrophobicContact CB-CZ2 3.57Å; A192-W378 HydrophobicContact CB-CZ3 3.96Å; A192-W380 HydrophobicContact CB-CE3 4.31Å; A192-W380 HydrophobicContact CB-CH2 3.91Å; A192-W380 HydrophobicContact CB-CZ3 3.6Å; A192-I383 HydrophobicContact CB-CD1 3.69Å |
| 193 | E | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.1 | -33.6 | 173.5 | -62.1 | -159.6 | 137.9 | 0 | 0 | 112 | W146 F189 L196 A197 H223 L224 I383 R384 | W146-E193 HydrophobicContact CE3-CB 4.3Å; W146-E193 HydrophobicContact CH2-CB 4.47Å; W146-E193 HydrophobicContact CH2-CG 4.12Å; W146-E193 HydrophobicContact CZ3-CB 3.73Å; W146-E193 HydrophobicContact CZ3-CG 3.69Å; F189-E193 HydrophobicContact CD1-CG 4.32Å; F189-E193 HydrophobicContact CE1-CG 3.98Å; F189-E193 WeakPolarHBondContact CE1-OE2 3.35Å; F189-E193 HydrophobicContact CZ-CG 4.48Å; F189-E193 PolarHBondContact O-N 3.45Å; E193-L196 PolarHBondContact O-N 3.34Å; E193-A197 PolarHBondContact O-N 2.76Å; E193-H223 IonicContact OE1-CE1 2.78Å; E193-H223 IonicContact OE1-CG 2.65Å; E193-H223 IonicContact OE1-ND1 3.67Å; E193-H223 PolarHBondContact OE1-ND1 2.91Å; E193-H223 WeakPolarHBondContact OE2-CA 3.32Å; E193-H223 IonicContact OE2-ND1 2.71Å; E193-L224 HydrophobicContact CB-CB 3.75Å; E193-L224 HydrophobicContact CB-CD1 4.49Å; E193-L224 WeakPolarHBondContact OE2-CB 3.44Å; E193-L224 PolarHBondContact OE2-N 3.31Å; E193-I383 HydrophobicContact CG-CD1 3.68Å; E193-I383 HydrophobicContact CG-CG1 4.06Å; E193-R384 WeakPolarHBondContact OE1-CD 3.48Å |
| 194 | T | 96.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.5 | -39.8 | 172.9 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | Y190 A191 A192 L196 A197 L198 L211 L216 L224 L278 | Y190-T194 WeakPolarHBondContact O-CB 3.03Å; Y190-T194 PolarHBondContact O-N 2.8Å; Y190-T194 PolarHBondContact O-OG1 3.19Å; A191-T194 PolarHBondContact O-N 3.07Å; A192-T194 VanDerWaalsContact C-N 3.31Å; A192-T194 PolarHBondContact O-N 3.05Å; T194-L196 VanDerWaalsContact C-N 3.33Å; T194-L196 PolarHBondContact O-N 2.85Å; T194-A197 PolarHBondContact O-N 2.77Å; T194-L198 HydrophobicContact CG2-CD1 4.43Å; T194-L198 HydrophobicContact CG2-CG 4.5Å; T194-L198 WeakPolarHBondContact O-CG 3.44Å; T194-L198 PolarHBondContact O-N 3.38Å; T194-L211 HydrophobicContact CG2-CD1 4.11Å; T194-L211 HydrophobicContact CG2-CD2 4.2Å; T194-L216 HydrophobicContact CG2-CD1 4.45Å; T194-L216 HydrophobicContact CG2-CD2 4.14Å; T194-L224 WeakPolarHBondContact OG1-CD1 3.29Å; T194-L278 HydrophobicContact CG2-CD1 3.83Å |
| 195 | I | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.9 | -72.6 | 158.6 | 0 | 0 | 0 | 110.3 | A191 A192 A197 L198 I199 W275 L278 F326 V348 Y349 F354 W380 | A191-I195 WeakPolarHBondContact O-CD1 3.37Å; A191-I195 VanDerWaalsContact O-CG1 3.24Å; A191-I195 WeakPolarHBondContact O-CG1 3.43Å; A191-I195 PolarHBondContact O-N 3.47Å; A192-I195 PolarHBondContact O-N 3.31Å; I195-A197 PolarHBondContact O-N 2.71Å; I195-L198 PolarHBondContact O-N 2.87Å; I195-I199 HydrophobicContact CG2-CD1 3.63Å; I195-I199 WeakPolarHBondContact O-CB 3.43Å; I195-I199 WeakPolarHBondContact O-CD1 3.23Å; I195-I199 WeakPolarHBondContact O-CG1 3.15Å; I195-I199 PolarHBondContact O-N 3.31Å; I195-W275 HydrophobicContact CG1-CZ3 4.1Å; I195-W275 HydrophobicContact CG2-CH2 4.47Å; I195-W275 HydrophobicContact CG2-CZ3 4.44Å; I195-L278 HydrophobicContact CD1-CD2 4.12Å; I195-L278 HydrophobicContact CG1-CD2 3.55Å; I195-F326 HydrophobicContact CD1-CE1 4.5Å; I195-F326 HydrophobicContact CD1-CZ 3.98Å; I195-V348 HydrophobicContact CD1-CG1 3.84Å; I195-V348 HydrophobicContact CG1-CG1 3.97Å; I195-V348 HydrophobicContact CG2-CG1 3.93Å; I195-Y349 HydrophobicContact CG2-CE1 4.36Å; I195-F354 HydrophobicContact CD1-CE1 4.34Å; I195-F354 HydrophobicContact CD1-CE2 3.46Å; I195-F354 VanDerWaalsContact CD1-CE2 3.46Å; I195-F354 HydrophobicContact CD1-CZ 3.35Å; I195-W380 HydrophobicContact CB-CH2 4.43Å; I195-W380 HydrophobicContact CB-CZ3 4.25Å; I195-W380 HydrophobicContact CD1-CH2 3.99Å; I195-W380 HydrophobicContact CG2-CH2 4.2Å; I195-W380 HydrophobicContact CG2-CZ3 4.08Å |
| 196 | L | 94.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 12.3 Ų | 12.3 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 176.6 | -66.7 | 167.6 | 0 | 0 | 0 | 112 | W146 A192 E193 T194 I199 D200 Y349 W380 I383 | W146-L196 HydrophobicContact CD2-CB 3.96Å; W146-L196 HydrophobicContact CG-CB 4.31Å; W146-L196 HydrophobicContact CH2-CB 4.44Å; W146-L196 HydrophobicContact CH2-CD1 3.71Å; W146-L196 HydrophobicContact CZ2-CB 3.93Å; W146-L196 HydrophobicContact CZ2-CD1 3.45Å; W146-L196 VanDerWaalsContact CZ2-CD1 3.45Å; W146-L196 HydrophobicContact CZ2-CG 4.25Å; A192-L196 WeakPolarHBondContact O-CG 3.26Å; A192-L196 PolarHBondContact O-N 2.94Å; A192-L196 VanDerWaalsContact O-N 3.09Å; E193-L196 PolarHBondContact O-N 3.34Å; T194-L196 VanDerWaalsContact C-N 3.33Å; T194-L196 PolarHBondContact O-N 2.85Å; L196-I199 PolarHBondContact O-N 3.38Å; L196-D200 PolarHBondContact O-N 2.63Å; L196-Y349 HydrophobicContact CD2-CE1 3.86Å; L196-Y349 WeakPolarHBondContact CD2-OH 3.27Å; L196-W380 HydrophobicContact CD1-CE3 4.22Å; L196-W380 HydrophobicContact CD2-CE3 4.23Å; L196-W380 HydrophobicContact CG-CE3 4.16Å; L196-W380 HydrophobicContact CG-CZ3 4.37Å; L196-I383 HydrophobicContact CD1-CG2 3.67Å |
| 197 | A | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | W146 E193 T194 I195 I199 L201 L224 L226 | W146-A197 HydrophobicContact CB-CB 3.74Å; E193-A197 PolarHBondContact O-N 2.76Å; T194-A197 PolarHBondContact O-N 2.77Å; I195-A197 PolarHBondContact O-N 2.71Å; A197-I199 VanDerWaalsContact C-N 3.26Å; A197-I199 PolarHBondContact O-N 3.05Å; A197-L201 WeakPolarHBondContact O-CB 3.37Å; A197-L201 PolarHBondContact O-N 2.89Å; A197-L224 HydrophobicContact CB-CD2 4.1Å; A197-L226 HydrophobicContact CB-CB 4.01Å; A197-L226 HydrophobicContact CB-CD2 4.25Å |
| 198 | L | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64 | -32.5 | 175.7 | -73 | 176.5 | 0 | 0 | 0 | 112 | T194 I195 L201 H202 L211 L226 D274 W275 | T194-L198 HydrophobicContact CG2-CD1 4.43Å; T194-L198 HydrophobicContact CG2-CG 4.5Å; T194-L198 WeakPolarHBondContact O-CG 3.44Å; T194-L198 PolarHBondContact O-N 3.38Å; I195-L198 PolarHBondContact O-N 2.87Å; L198-L201 HydrophobicContact CD2-CD2 4.4Å; L198-L201 PolarHBondContact O-N 3.36Å; L198-H202 VanDerWaalsContact O-CB 3.27Å; L198-H202 WeakPolarHBondContact O-CB 3.19Å; L198-H202 PolarHBondContact O-CD2 3.39Å; L198-H202 VanDerWaalsContact O-CD2 3.23Å; L198-H202 PolarHBondContact O-N 3.48Å; L198-L211 HydrophobicContact CD1-CD2 3.83Å; L198-L211 HydrophobicContact CD2-CD1 4.23Å; L198-L211 HydrophobicContact CD2-CD2 4.17Å; L198-L211 HydrophobicContact CG-CD2 4.38Å; L198-L226 HydrophobicContact CD2-CD2 4.48Å; L198-D274 HydrophobicContact CD1-CB 4.18Å; L198-D274 HydrophobicContact CD2-CB 3.78Å; L198-W275 HydrophobicContact CB-CH2 3.91Å; L198-W275 HydrophobicContact CB-CZ3 4.08Å; L198-W275 HydrophobicContact CD1-CE3 3.8Å; L198-W275 HydrophobicContact CD1-CH2 4.17Å; L198-W275 HydrophobicContact CD1-CZ3 3.52Å; L198-W275 HydrophobicContact CG-CZ3 4.48Å |
| 199 | I | 91 | Very high | 92.9 | Very high | 19 Ų | 19 | 13.7 Ų | 13.7 | 10% | 0.097 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71.1 | -43.2 | -177.3 | -76.8 | 169.7 | 0 | 0 | 0 | 112.3 | I195 L196 A197 L201 H202 A203 W275 L345 Y349 | I195-I199 HydrophobicContact CG2-CD1 3.63Å; I195-I199 WeakPolarHBondContact O-CB 3.43Å; I195-I199 WeakPolarHBondContact O-CD1 3.23Å; I195-I199 WeakPolarHBondContact O-CG1 3.15Å; I195-I199 PolarHBondContact O-N 3.31Å; L196-I199 PolarHBondContact O-N 3.38Å; A197-I199 VanDerWaalsContact C-N 3.26Å; A197-I199 PolarHBondContact O-N 3.05Å; I199-L201 VanDerWaalsContact C-N 3.32Å; I199-H202 PolarHBondContact O-N 3.48Å; I199-A203 WeakPolarHBondContact O-CB 3.32Å; I199-A203 PolarHBondContact O-N 3.21Å; I199-W275 HydrophobicContact CG1-CH2 4.12Å; I199-L345 HydrophobicContact CB-CD2 4.48Å; I199-L345 HydrophobicContact CD1-CD1 3.76Å; I199-L345 HydrophobicContact CD1-CD2 3.84Å; I199-L345 HydrophobicContact CD1-CG 3.83Å; I199-L345 HydrophobicContact CG1-CD1 3.55Å; I199-L345 HydrophobicContact CG1-CD2 3.83Å; I199-L345 HydrophobicContact CG1-CG 4.02Å; I199-L345 HydrophobicContact CG2-CD2 3.89Å; I199-Y349 HydrophobicContact CD1-CD2 4.3Å; I199-Y349 HydrophobicContact CD1-CE1 3.97Å; I199-Y349 HydrophobicContact CD1-CE2 3.47Å; I199-Y349 VanDerWaalsContact CD1-CE2 3.47Å; I199-Y349 VanDerWaalsContact CD1-OH 3.27Å; I199-Y349 WeakPolarHBondContact CD1-OH 3.05Å |
| 200 | D | 92 | Very high | 92.7 | Very high | 51 Ų | 51 | 14.2 Ų | 14.2 | 27% | 0.273 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 172.5 | -78.5 | 5.1 | 0 | 0 | 0 | 110.6 | S144 L196 A203 M204 | S144-D200 WeakPolarHBondContact CB-OD2 3.5Å; S144-D200 PolarHBondContact OG-OD2 3.13Å; L196-D200 PolarHBondContact O-N 2.63Å; D200-A203 PolarHBondContact O-N 2.88Å; D200-M204 HydrophobicContact CB-CE 4.3Å; D200-M204 VanDerWaalsContact O-CG 3.31Å; D200-M204 WeakPolarHBondContact O-CG 3.43Å; D200-M204 PolarHBondContact O-N 3.39Å |
| 201 | L | 92.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 177.1 | -178.4 | 68.7 | 0 | 0 | 0 | 113.1 | I138 A197 L198 I199 A203 M204 G205 F206 H208 L226 F229 | I138-L201 HydrophobicContact CB-CD1 4.38Å; I138-L201 HydrophobicContact CD1-CD1 3.6Å; I138-L201 HydrophobicContact CG1-CD1 3.76Å; I138-L201 HydrophobicContact CG2-CD1 3.67Å; A197-L201 WeakPolarHBondContact O-CB 3.37Å; A197-L201 PolarHBondContact O-N 2.89Å; L198-L201 HydrophobicContact CD2-CD2 4.4Å; L198-L201 PolarHBondContact O-N 3.36Å; I199-L201 VanDerWaalsContact C-N 3.32Å; L201-A203 VanDerWaalsContact C-N 3.33Å; L201-M204 WeakPolarHBondContact O-CB 3.31Å; L201-M204 PolarHBondContact O-N 2.87Å; L201-G205 PolarHBondContact O-N 2.98Å; L201-F206 HydrophobicContact CD1-CB 3.74Å; L201-F206 HydrophobicContact CG-CB 4.16Å; L201-F206 PolarHBondContact O-N 3.29Å; L201-F206 VanDerWaalsContact O-N 3.14Å; L201-H208 HydrophobicContact CD2-CB 3.71Å; L201-L226 HydrophobicContact CD2-CD2 4.11Å; L201-F229 HydrophobicContact CD1-CD1 4.1Å; L201-F229 HydrophobicContact CD1-CE1 4.01Å; L201-F229 HydrophobicContact CD2-CE1 4.37Å |
| 202 | H | 90.7 | Very high | 92.6 | Very high | 23 Ų | 23 | 15.5 Ų | 15.5 | 11% | 0.106 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.5 | -34.1 | 178.8 | -67.7 | -176.2 | 0 | 0 | 0 | 110.9 | L198 I199 M204 G205 F206 F271 D274 W275 | L198-H202 VanDerWaalsContact O-CB 3.27Å; L198-H202 WeakPolarHBondContact O-CB 3.19Å; L198-H202 PolarHBondContact O-CD2 3.39Å; L198-H202 VanDerWaalsContact O-CD2 3.23Å; L198-H202 PolarHBondContact O-N 3.48Å; I199-H202 PolarHBondContact O-N 3.48Å; H202-M204 VanDerWaalsContact C-N 3.35Å; H202-G205 WeakPolarHBondContact O-CA 3.21Å; H202-G205 PolarHBondContact O-N 3.36Å; H202-F206 PolarHBondContact CD2-O 2.93Å; H202-F206 VanDerWaalsContact CD2-O 3.24Å; H202-F271 HydrophobicContact CB-CD1 3.81Å; H202-F271 HydrophobicContact CB-CE1 3.97Å; H202-F271 HydrophobicContact CB-CG 4.4Å; H202-F271 AromaticContact CD2-CD1 3.56Å; H202-F271 AromaticContact CG-CD1 3.49Å; H202-F271 VanDerWaalsContact CG-CD1 3.49Å; H202-F271 AromaticContact ND1-CD1 3.94Å; H202-F271 AromaticContact NE2-CD1 4Å; H202-D274 IonicContact CD2-OD2 3.17Å; H202-D274 IonicContact CE1-OD2 3.59Å; H202-D274 IonicContact NE2-OD2 2.69Å; H202-D274 PolarHBondContact NE2-OD2 2.95Å; H202-W275 AromaticContact CE1-CE2 3.99Å; H202-W275 AromaticContact CE1-CZ2 3.92Å; H202-W275 AromaticContact ND1-CZ2 3.75Å |
| 203 | A | 87.4 | Confident | 92.6 | Very high | 87 Ų | 87 | 15.5 Ų | 15.5 | 72% | 0.719 | 9% | 0.093 | S | C | * | . | H | α-helix | trans | -68.1 | -29.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I199 D200 L201 G205 | I199-A203 WeakPolarHBondContact O-CB 3.32Å; I199-A203 PolarHBondContact O-N 3.21Å; D200-A203 PolarHBondContact O-N 2.88Å; L201-A203 VanDerWaalsContact C-N 3.33Å; A203-G205 PolarHBondContact O-N 3.5Å |
| 204 | M | 87.4 | Confident | 92.3 | Very high | 38 Ų | 38 | 18.7 Ų | 18.7 | 19% | 0.187 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -9.4 | 167.3 | -64.1 | 168.9 | -157.2 | 0 | 0 | 112.8 | I138 H141 I147 D200 L201 H202 F206 | I138-M204 HydrophobicContact CG2-SD 4.36Å; H141-M204 HydrophobicContact CB-CE 3.57Å; H141-M204 HydrophobicContact CB-SD 3.89Å; I147-M204 HydrophobicContact CG1-CE 4.45Å; D200-M204 HydrophobicContact CB-CE 4.3Å; D200-M204 VanDerWaalsContact O-CG 3.31Å; D200-M204 WeakPolarHBondContact O-CG 3.43Å; D200-M204 PolarHBondContact O-N 3.39Å; L201-M204 WeakPolarHBondContact O-CB 3.31Å; L201-M204 PolarHBondContact O-N 2.87Å; H202-M204 VanDerWaalsContact C-N 3.35Å; M204-F206 HydrophobicContact CB-CD2 3.86Å; M204-F206 HydrophobicContact CB-CE2 4.4Å; M204-F206 WeakPolarHBondContact O-CD2 3.46Å |
| 205 | G | 88.5 | Confident | 92.2 | Very high | 16 Ų | 16 | 19.1 Ų | 19.1 | 17% | 0.165 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 21.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | L201 H202 A203 R234 V235 | L201-G205 PolarHBondContact O-N 2.98Å; H202-G205 WeakPolarHBondContact O-CA 3.21Å; H202-G205 PolarHBondContact O-N 3.36Å; A203-G205 PolarHBondContact O-N 3.5Å; G205-R234 CarbonylContact O-C 3.52Å; G205-R234 WeakPolarHBondContact O-CA 3.4Å; G205-V235 PolarHBondContact O-N 3.24Å |
| 206 | F | 90.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 1% | 0.013 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 149 | -178.9 | -69.9 | -91.2 | 0 | 0 | 0 | 112.7 | A134 E137 I138 L201 H202 M204 I233 R234 F271 | A134-F206 HydrophobicContact CB-CD1 3.88Å; A134-F206 HydrophobicContact CB-CE1 3.53Å; E137-F206 HydrophobicContact CB-CZ 4.22Å; E137-F206 HydrophobicContact CG-CE2 4.25Å; E137-F206 HydrophobicContact CG-CZ 4.11Å; I138-F206 HydrophobicContact CD1-CB 3.94Å; I138-F206 HydrophobicContact CD1-CD1 3.83Å; I138-F206 HydrophobicContact CD1-CD2 4.33Å; I138-F206 HydrophobicContact CD1-CE1 4.45Å; I138-F206 HydrophobicContact CD1-CG 3.77Å; I138-F206 HydrophobicContact CG1-CB 4.2Å; I138-F206 HydrophobicContact CG1-CD1 4.12Å; I138-F206 HydrophobicContact CG1-CD2 3.79Å; I138-F206 HydrophobicContact CG1-CE1 4.49Å; I138-F206 HydrophobicContact CG1-CE2 4.18Å; I138-F206 HydrophobicContact CG1-CG 3.77Å; L201-F206 HydrophobicContact CD1-CB 3.74Å; L201-F206 HydrophobicContact CG-CB 4.16Å; L201-F206 PolarHBondContact O-N 3.29Å; L201-F206 VanDerWaalsContact O-N 3.14Å; H202-F206 PolarHBondContact CD2-O 2.93Å; H202-F206 VanDerWaalsContact CD2-O 3.24Å; M204-F206 HydrophobicContact CB-CD2 3.86Å; M204-F206 HydrophobicContact CB-CE2 4.4Å; M204-F206 WeakPolarHBondContact O-CD2 3.46Å; F206-I233 CarbonylContact C-O 3.52Å; F206-I233 VanDerWaalsContact CA-O 3.32Å; F206-I233 WeakPolarHBondContact CA-O 3.08Å; F206-R234 HydrophobicContact CD1-CB 4Å; F206-R234 HydrophobicContact CD1-CG 4.42Å; F206-R234 HydrophobicContact CE1-CB 3.64Å; F206-R234 HydrophobicContact CE1-CG 4.03Å; F206-R234 HydrophobicContact CE2-CG 4.32Å; F206-R234 HydrophobicContact CZ-CB 4.08Å; F206-R234 HydrophobicContact CZ-CG 3.97Å; F206-F271 WeakPolarHBondContact O-CE1 3.47Å |
| 207 | I | 91 | Very high | 92.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138 | 169.3 | -52.3 | 168.9 | 0 | 0 | 0 | 107.7 | R209 A232 I233 V235 I242 G270 F271 V273 D274 | I207-R209 HydrophobicContact CB-CG 4.23Å; I207-R209 HydrophobicContact CG2-CG 3.66Å; I207-A232 CarbonylContact O-C 3.53Å; I207-A232 WeakPolarHBondContact O-CA 3.38Å; I207-A232 WeakPolarHBondContact O-CB 3.25Å; I207-I233 HydrophobicContact CB-CG2 4.23Å; I207-I233 PolarHBondContact N-O 3.26Å; I207-I233 PolarHBondContact O-N 2.69Å; I207-V235 HydrophobicContact CD1-CG1 3.64Å; I207-V235 HydrophobicContact CG1-CG1 3.68Å; I207-I242 HydrophobicContact CD1-CD1 4.22Å; I207-I242 HydrophobicContact CD1-CG1 4.02Å; I207-I242 HydrophobicContact CD1-CG2 4.39Å; I207-G270 VanDerWaalsContact CD1-C 3.47Å; I207-G270 WeakPolarHBondContact CD1-O 3.41Å; I207-F271 HydrophobicContact CG1-CD1 3.81Å; I207-F271 HydrophobicContact CG1-CE1 4.2Å; I207-F271 HydrophobicContact CG1-CG 4.49Å; I207-V273 HydrophobicContact CG2-CG2 3.32Å; I207-D274 WeakPolarHBondContact CG2-OD2 3.23Å |
| 208 | H | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -75.6 | -48.5 | -178.2 | -160 | -93.8 | 0 | 0 | 0 | 113.5 | L201 D210 L211 A227 F229 T231 D274 | L201-H208 HydrophobicContact CD2-CB 3.71Å; H208-D210 PolarHBondContact CE1-O 3.42Å; H208-D210 VanDerWaalsContact ND1-C 3.25Å; H208-D210 PolarHBondContact ND1-O 3.41Å; H208-D210 PolarHBondContact O-N 2.95Å; H208-L211 PolarHBondContact ND1-N 3.26Å; H208-A227 PolarHBondContact NE2-O 2.8Å; H208-F229 AromaticContact CD2-CD1 3.49Å; H208-F229 VanDerWaalsContact CD2-CD1 3.49Å; H208-F229 WeakPolarHBondContact CD2-CD1 3.44Å; H208-F229 AromaticContact CD2-CE1 3.66Å; H208-F229 AromaticContact NE2-CD1 3.58Å; H208-F229 AromaticContact NE2-CE1 3.8Å; H208-T231 CarbonylContact O-C 3.33Å; H208-T231 PolarHBondContact O-OG1 2.81Å; H208-D274 WeakPolarHBondContact CB-OD1 3.41Å; H208-D274 PolarHBondContact N-OD1 2.89Å; H208-D274 PolarHBondContact N-OD2 3.27Å | ||
| 209 | R | 90.8 | Very high | 92.4 | Very high | 34 Ų | 34 | 21.1 Ų | 21.1 | 13% | 0.128 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 65.4 | -21.9 | -178.9 | -51.6 | -168.4 | -65.2 | -174.6 | -6.2 | 117.8 | I207 T231 I233 C244 V248 Y269 V273 D274 | I207-R209 HydrophobicContact CB-CG 4.23Å; I207-R209 HydrophobicContact CG2-CG 3.66Å; R209-T231 VanDerWaalsContact CZ-O 3.24Å; R209-T231 PolarHBondContact NE-O 2.86Å; R209-T231 PolarHBondContact NH2-O 3.35Å; R209-I233 HydrophobicContact CG-CG2 4.36Å; R209-I233 VanDerWaalsContact CZ-CG2 3.42Å; R209-C244 PolarHBondContact NH1-SG 3.14Å; R209-V248 VanDerWaalsContact CZ-CG2 3.45Å; R209-Y269 WeakPolarHBondContact CD-OH 3.35Å; R209-Y269 HydrophobicContact CG-CE2 4.39Å; R209-Y269 PolarHBondContact NH1-OH 3.4Å; R209-Y269 VanDerWaalsContact NH1-OH 3.14Å; R209-V273 HydrophobicContact CG-CG2 4.39Å; R209-D274 PolarHBondContact N-OD1 3.02Å |
| 210 | D | 92.5 | Very high | 92.6 | Very high | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | trans | -122 | 48.8 | 172.8 | -165.9 | 37.3 | 0 | 0 | 0 | 111.7 | H208 K212 N215 T231 G249 T250 | H208-D210 PolarHBondContact CE1-O 3.42Å; H208-D210 VanDerWaalsContact ND1-C 3.25Å; H208-D210 PolarHBondContact ND1-O 3.41Å; H208-D210 PolarHBondContact O-N 2.95Å; D210-K212 PolarHBondContact O-N 2.82Å; D210-K212 IonicContact OD1-NZ 3.39Å; D210-K212 IonicContact OD2-NZ 2.76Å; D210-K212 PolarHBondContact OD2-NZ 3.14Å; D210-N215 PolarHBondContact O-ND2 3.09Å; D210-N215 PolarHBondContact OD2-ND2 2.9Å; D210-T231 HydrophobicContact CB-CG2 3.93Å; D210-T231 WeakPolarHBondContact CB-OG1 3.29Å; D210-T231 PolarHBondContact N-OG1 3.12Å; D210-G249 WeakPolarHBondContact OD1-CA 3.27Å; D210-T250 VanDerWaalsContact OD1-CB 3.26Å; D210-T250 WeakPolarHBondContact OD1-CB 3.45Å; D210-T250 PolarHBondContact OD1-N 3.05Å; D210-T250 PolarHBondContact OD1-OG1 3.42Å | ||
| 211 | L | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -76.6 | 119.9 | 176.5 | -174.8 | 76.6 | 0 | 0 | 0 | 109.9 | T194 L198 H208 L216 L226 Y253 A277 L278 | T194-L211 HydrophobicContact CG2-CD1 4.11Å; T194-L211 HydrophobicContact CG2-CD2 4.2Å; L198-L211 HydrophobicContact CD1-CD2 3.83Å; L198-L211 HydrophobicContact CD2-CD1 4.23Å; L198-L211 HydrophobicContact CD2-CD2 4.17Å; L198-L211 HydrophobicContact CG-CD2 4.38Å; H208-L211 PolarHBondContact ND1-N 3.26Å; L211-L216 HydrophobicContact CD1-CD2 3.95Å; L211-L226 HydrophobicContact CD1-CD1 3.62Å; L211-Y253 WeakPolarHBondContact O-CD1 3.44Å; L211-A277 HydrophobicContact CB-CB 3.85Å; L211-A277 HydrophobicContact CD2-CB 4.22Å; L211-A277 HydrophobicContact CG-CB 4.49Å; L211-L278 HydrophobicContact CD2-CB 4.08Å | ||
| 212 | K | 95 | Very high | 92.7 | Very high | 27 Ų | 27 | 21.8 Ų | 21.8 | 12% | 0.117 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -163.8 | 163.2 | -174.6 | 67.3 | -168 | -169 | -153 | 0 | 109.9 | D210 D214 N215 T250 Y253 | D210-K212 PolarHBondContact O-N 2.82Å; D210-K212 IonicContact OD1-NZ 3.39Å; D210-K212 IonicContact OD2-NZ 2.76Å; D210-K212 PolarHBondContact OD2-NZ 3.14Å; K212-D214 HydrophobicContact CD-CB 4.34Å; K212-D214 VanDerWaalsContact CD-OD2 3.26Å; K212-D214 WeakPolarHBondContact CD-OD2 3.15Å; K212-D214 VanDerWaalsContact CE-OD2 3.24Å; K212-D214 WeakPolarHBondContact CE-OD2 3.43Å; K212-D214 HydrophobicContact CG-CB 4.12Å; K212-D214 VanDerWaalsContact CG-OD2 3.29Å; K212-D214 WeakPolarHBondContact CG-OD2 3.12Å; K212-D214 PolarHBondContact O-N 2.78Å; K212-N215 WeakPolarHBondContact CE-ND2 3.41Å; K212-N215 HydrophobicContact CG-CB 4.23Å; K212-N215 PolarHBondContact O-N 3.03Å; K212-T250 HydrophobicContact CD-CG2 4.3Å; K212-T250 WeakPolarHBondContact CD-OG1 3.33Å; K212-T250 PolarHBondContact NZ-OG1 3.11Å; K212-Y253 HydrophobicContact CB-CD1 3.88Å; K212-Y253 HydrophobicContact CB-CD2 3.98Å; K212-Y253 HydrophobicContact CB-CE1 3.75Å; K212-Y253 HydrophobicContact CB-CE2 3.86Å; K212-Y253 HydrophobicContact CB-CG 4Å |
| 213 | P | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -65.1 | -23.7 | -173.5 | -17.5 | 31.9 | 0 | 0 | 0 | 113.8 | L172 V173 M176 N215 L216 Y253 V281 E284 | L172-P213 HydrophobicContact CB-CB 3.93Å; L172-P213 HydrophobicContact CD2-CB 4.29Å; L172-P213 HydrophobicContact CG-CB 4.32Å; L172-P213 PolarHBondContact N-O 3.5Å; V173-P213 HydrophobicContact CG2-CB 3.8Å; M176-P213 HydrophobicContact CE-CG 4.34Å; M176-P213 HydrophobicContact SD-CB 3.97Å; M176-P213 HydrophobicContact SD-CG 4.1Å; P213-N215 PolarHBondContact O-N 3.15Å; P213-L216 PolarHBondContact O-N 3.41Å; P213-Y253 WeakPolarHBondContact CD-OH 3.32Å; P213-V281 HydrophobicContact CG-CG1 4.37Å; P213-V281 HydrophobicContact CG-CG2 4.31Å; P213-E284 WeakPolarHBondContact CG-OE2 3.26Å |
| 214 | D | 91.7 | Very high | 93.5 | Very high | 66 Ų | 66 | 17.2 Ų | 17.2 | 35% | 0.353 | 10% | 0.104 | S | C | . | . | G | 310 helix | trans | -60.5 | -33.5 | 173.9 | -43.8 | -107.6 | 0 | 0 | 0 | 112.4 | N171 V173 K212 | N171-D214 WeakPolarHBondContact CB-O 3.1Å; V173-D214 HydrophobicContact CG2-CB 4.41Å; K212-D214 HydrophobicContact CD-CB 4.34Å; K212-D214 VanDerWaalsContact CD-OD2 3.26Å; K212-D214 WeakPolarHBondContact CD-OD2 3.15Å; K212-D214 VanDerWaalsContact CE-OD2 3.24Å; K212-D214 WeakPolarHBondContact CE-OD2 3.43Å; K212-D214 HydrophobicContact CG-CB 4.12Å; K212-D214 VanDerWaalsContact CG-OD2 3.29Å; K212-D214 WeakPolarHBondContact CG-OD2 3.12Å; K212-D214 PolarHBondContact O-N 2.78Å |
| 215 | N | 94.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 16 Ų | 16 | 5% | 0.053 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -93.8 | 0.5 | -174.9 | -68.8 | -8.9 | 0 | 0 | 0 | 112 | D210 K212 P213 A227 | D210-N215 PolarHBondContact O-ND2 3.09Å; D210-N215 PolarHBondContact OD2-ND2 2.9Å; K212-N215 WeakPolarHBondContact CE-ND2 3.41Å; K212-N215 HydrophobicContact CG-CB 4.23Å; K212-N215 PolarHBondContact O-N 3.03Å; P213-N215 PolarHBondContact O-N 3.15Å; N215-A227 WeakPolarHBondContact CB-O 3.32Å; N215-A227 PolarHBondContact O-N 2.7Å |
| 216 | L | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 95.1 | 173.5 | -55.9 | -179.6 | 0 | 0 | 0 | 108.1 | N171 L172 T194 L211 P213 L224 L226 V281 | N171-L216 CarbonylContact C-O 3.38Å; N171-L216 WeakPolarHBondContact CA-O 3.43Å; L172-L216 HydrophobicContact CB-CB 4.06Å; L172-L216 HydrophobicContact CD2-CB 4.28Å; L172-L216 HydrophobicContact CD2-CD1 3.83Å; L172-L216 PolarHBondContact N-O 2.87Å; T194-L216 HydrophobicContact CG2-CD1 4.45Å; T194-L216 HydrophobicContact CG2-CD2 4.14Å; L211-L216 HydrophobicContact CD1-CD2 3.95Å; P213-L216 PolarHBondContact O-N 3.41Å; L216-L224 HydrophobicContact CB-CD1 4.04Å; L216-L224 HydrophobicContact CB-CG 4.35Å; L216-L224 HydrophobicContact CD1-CD1 4.15Å; L216-L224 HydrophobicContact CD2-CD1 4.13Å; L216-L224 HydrophobicContact CD2-CD2 4.23Å; L216-L224 HydrophobicContact CD2-CG 4.44Å; L216-L224 HydrophobicContact CG-CD1 4.31Å; L216-L226 HydrophobicContact CD2-CD1 3.74Å; L216-V281 HydrophobicContact CD1-CG1 3.99Å |
| 217 | L | 95.9 | Very high | 94.3 | Very high | 33 Ų | 33 | 15.7 Ų | 15.7 | 17% | 0.173 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 149.7 | -178.5 | -55.4 | -173.1 | 0 | 0 | 0 | 111.3 | V148 V167 G170 N171 L224 K225 A227 | V148-L217 HydrophobicContact CG2-CD1 4.33Å; V167-L217 HydrophobicContact CB-CB 4.13Å; V167-L217 HydrophobicContact CB-CD1 4.19Å; V167-L217 HydrophobicContact CG1-CB 3.56Å; V167-L217 HydrophobicContact CG2-CD1 4.46Å; G170-L217 CarbonylContact O-C 3.59Å; G170-L217 VanDerWaalsContact O-CA 3.27Å; G170-L217 WeakPolarHBondContact O-CA 3.41Å; N171-L217 HydrophobicContact CB-CD2 3.69Å; L217-L224 CarbonylContact O-C 3.52Å; L217-L224 WeakPolarHBondContact O-CA 3.32Å; L217-K225 PolarHBondContact N-O 3.15Å; L217-K225 PolarHBondContact O-N 3.17Å; L217-A227 HydrophobicContact CD1-CB 3.67Å; L217-A227 HydrophobicContact CG-CB 3.83Å |
| 218 | L | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.5 | -177.3 | -57 | -179.3 | 0 | 0 | 0 | 110.6 | V167 G169 G170 L172 W175 Y190 H223 F390 | V167-L218 VanDerWaalsContact CG1-C 3.46Å; V167-L218 VanDerWaalsContact CG1-O 3.32Å; V167-L218 WeakPolarHBondContact CG1-O 3.3Å; G169-L218 CarbonylContact C-O 3.57Å; G169-L218 WeakPolarHBondContact CA-O 3.26Å; G169-L218 PolarHBondContact N-O 2.88Å; G170-L218 PolarHBondContact O-N 3.44Å; L172-L218 HydrophobicContact CD1-CD1 4.03Å; L172-L218 HydrophobicContact CD1-CD2 4.39Å; W175-L218 HydrophobicContact CB-CD1 4.3Å; Y190-L218 HydrophobicContact CD1-CD2 4.13Å; Y190-L218 HydrophobicContact CE1-CD2 3.58Å; L218-H223 CarbonylContact C-O 3.56Å; L218-H223 WeakPolarHBondContact CA-O 3.32Å; L218-F390 HydrophobicContact CB-CD1 4.12Å; L218-F390 HydrophobicContact CB-CE1 4.37Å; L218-F390 HydrophobicContact CD1-CB 4.45Å; L218-F390 HydrophobicContact CD1-CD1 3.57Å; L218-F390 HydrophobicContact CD1-CE1 4.19Å; L218-F390 HydrophobicContact CD1-CG 4.4Å; L218-F390 HydrophobicContact CG-CD1 4.48Å |
| 219 | D | 94.7 | Very high | 94.1 | Very high | 25 Ų | 25 | 17.6 Ų | 17.6 | 13% | 0.134 | 10% | 0.104 | C | C | . | . | trans | -78.7 | -177.3 | -176 | 77.3 | 10.4 | 0 | 0 | 0 | 113.6 | V167 G221 G222 H223 R384 P392 | V167-D219 HydrophobicContact CG1-CB 4.18Å; D219-G221 PolarHBondContact O-N 2.84Å; D219-G221 VanDerWaalsContact O-N 3.12Å; D219-G221 VanDerWaalsContact OD1-CA 3.27Å; D219-G221 WeakPolarHBondContact OD1-CA 3.27Å; D219-G221 PolarHBondContact OD1-N 3.4Å; D219-G222 WeakPolarHBondContact O-CA 3.41Å; D219-G222 PolarHBondContact O-N 3.14Å; D219-G222 PolarHBondContact OD1-N 2.81Å; D219-H223 PolarHBondContact N-O 3.39Å; D219-H223 IonicContact OD1-CD2 3.09Å; D219-H223 PolarHBondContact OD1-N 3.07Å; D219-H223 VanDerWaalsContact OD1-N 3.11Å; D219-R384 IonicContact OD2-CZ 2.65Å; D219-R384 IonicContact OD2-NH1 2.68Å; D219-R384 PolarHBondContact OD2-NH1 2.88Å; D219-R384 IonicContact OD2-NH2 3.71Å; D219-R384 PolarHBondContact OD2-NH2 3.37Å; D219-P392 VanDerWaalsContact O-CG 3.32Å; D219-P392 WeakPolarHBondContact O-CG 3.49Å | ||
| 220 | A | 93.7 | Very high | 93.6 | Very high | 57 Ų | 57 | 16.3 Ų | 16.3 | 47% | 0.471 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P168 Q391 L394 | P168-A220 HydrophobicContact CG-CB 3.86Å; A220-Q391 PolarHBondContact O-NE2 2.86Å; A220-L394 HydrophobicContact CB-CD1 3.93Å |
| 221 | G | 93.7 | Very high | 93.2 | Very high | 26 Ų | 26 | 16.8 Ų | 16.8 | 27% | 0.268 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D219 Q391 | D219-G221 PolarHBondContact O-N 2.84Å; D219-G221 VanDerWaalsContact O-N 3.12Å; D219-G221 VanDerWaalsContact OD1-CA 3.27Å; D219-G221 WeakPolarHBondContact OD1-CA 3.27Å; D219-G221 PolarHBondContact OD1-N 3.4Å; G221-Q391 PolarHBondContact O-NE2 3.34Å |
| 222 | G | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 88.2 | 8.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y190 D219 A388 | Y190-G222 WeakPolarHBondContact CE1-O 3.3Å; Y190-G222 PolarHBondContact OH-O 3.31Å; D219-G222 WeakPolarHBondContact O-CA 3.41Å; D219-G222 PolarHBondContact O-N 3.14Å; D219-G222 PolarHBondContact OD1-N 2.81Å; G222-A388 VanDerWaalsContact C-CB 3.45Å; G222-A388 VanDerWaalsContact O-CB 3.29Å; G222-A388 WeakPolarHBondContact O-CB 3.46Å |
| 223 | H | 97.1 | Very high | 92.5 | Very high | 14 Ų | 14 | 17.1 Ų | 17.1 | 7% | 0.065 | 11% | 0.108 | C | C | . | . | trans | -93 | 154 | -175.8 | -66.8 | -92.2 | 0 | 0 | 0 | 112.9 | F189 E193 L218 D219 I383 R384 C386 | F189-H223 AromaticContact CZ-CE1 3.83Å; F189-H223 AromaticContact CZ-ND1 3.67Å; E193-H223 IonicContact OE1-CE1 2.78Å; E193-H223 IonicContact OE1-CG 2.65Å; E193-H223 IonicContact OE1-ND1 3.67Å; E193-H223 PolarHBondContact OE1-ND1 2.91Å; E193-H223 WeakPolarHBondContact OE2-CA 3.32Å; E193-H223 IonicContact OE2-ND1 2.71Å; L218-H223 CarbonylContact C-O 3.56Å; L218-H223 WeakPolarHBondContact CA-O 3.32Å; D219-H223 PolarHBondContact N-O 3.39Å; D219-H223 IonicContact OD1-CD2 3.09Å; D219-H223 PolarHBondContact OD1-N 3.07Å; D219-H223 VanDerWaalsContact OD1-N 3.11Å; H223-I383 PolarHBondContact CE1-O 2.84Å; H223-R384 VanDerWaalsContact CB-NH1 3.32Å; H223-C386 PolarHBondContact CE1-O 3.45Å; H223-C386 PolarHBondContact NE2-O 3.31Å | ||
| 224 | L | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 141 | -174.2 | -167.2 | 145.6 | 0 | 0 | 0 | 113.6 | Y190 E193 T194 A197 L216 L217 R384 | Y190-L224 HydrophobicContact CD1-CB 4.47Å; Y190-L224 HydrophobicContact CD1-CD1 4.39Å; E193-L224 HydrophobicContact CB-CB 3.75Å; E193-L224 HydrophobicContact CB-CD1 4.49Å; E193-L224 WeakPolarHBondContact OE2-CB 3.44Å; E193-L224 PolarHBondContact OE2-N 3.31Å; T194-L224 WeakPolarHBondContact OG1-CD1 3.29Å; A197-L224 HydrophobicContact CB-CD2 4.1Å; L216-L224 HydrophobicContact CB-CD1 4.04Å; L216-L224 HydrophobicContact CB-CG 4.35Å; L216-L224 HydrophobicContact CD1-CD1 4.15Å; L216-L224 HydrophobicContact CD2-CD1 4.13Å; L216-L224 HydrophobicContact CD2-CD2 4.23Å; L216-L224 HydrophobicContact CD2-CG 4.44Å; L216-L224 HydrophobicContact CG-CD1 4.31Å; L217-L224 CarbonylContact O-C 3.52Å; L217-L224 WeakPolarHBondContact O-CA 3.32Å; L224-R384 PolarHBondContact O-NH2 2.76Å |
| 225 | K | 95.8 | Very high | 91.8 | Very high | 14 Ų | 14 | 21.3 Ų | 21.3 | 6% | 0.061 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 128.2 | 162.7 | -80.3 | 177.6 | 166 | -77.8 | 0 | 110.1 | P145 W146 I147 V148 E165 V167 L217 | P145-K225 WeakPolarHBondContact O-CE 3.47Å; P145-K225 WeakPolarHBondContact O-CG 3.42Å; P145-K225 PolarHBondContact O-NZ 3.45Å; W146-K225 CarbonylContact O-C 3.17Å; W146-K225 VanDerWaalsContact O-CA 3.31Å; W146-K225 WeakPolarHBondContact O-CA 3.28Å; I147-K225 PolarHBondContact O-NZ 3Å; V148-K225 HydrophobicContact CG2-CB 3.81Å; E165-K225 VanDerWaalsContact OE1-CE 3.28Å; E165-K225 WeakPolarHBondContact OE1-CE 3.37Å; E165-K225 IonicContact OE1-NZ 3.31Å; E165-K225 PolarHBondContact OE1-NZ 2.7Å; E165-K225 WeakPolarHBondContact OE2-CE 3.43Å; E165-K225 IonicContact OE2-NZ 2.68Å; E165-K225 PolarHBondContact OE2-NZ 3.41Å; V167-K225 HydrophobicContact CG2-CD 4.1Å; L217-K225 PolarHBondContact N-O 3.15Å; L217-K225 PolarHBondContact O-N 3.17Å |
| 226 | L | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 136.3 | 178.1 | -177.2 | 61.6 | 0 | 0 | 0 | 111 | W146 I147 V148 A197 L198 L201 L211 L216 F229 | W146-L226 PolarHBondContact O-N 2.97Å; I147-L226 HydrophobicContact CD1-CB 4.45Å; I147-L226 HydrophobicContact CD1-CD2 4.47Å; V148-L226 WeakPolarHBondContact CG2-O 3.5Å; V148-L226 PolarHBondContact N-O 3.44Å; V148-L226 VanDerWaalsContact N-O 3.15Å; A197-L226 HydrophobicContact CB-CB 4.01Å; A197-L226 HydrophobicContact CB-CD2 4.25Å; L198-L226 HydrophobicContact CD2-CD2 4.48Å; L201-L226 HydrophobicContact CD2-CD2 4.11Å; L211-L226 HydrophobicContact CD1-CD1 3.62Å; L216-L226 HydrophobicContact CD2-CD1 3.74Å; L226-F229 HydrophobicContact CB-CE1 4.48Å; L226-F229 HydrophobicContact CB-CZ 4.11Å; L226-F229 HydrophobicContact CD2-CE1 3.79Å; L226-F229 HydrophobicContact CD2-CZ 4.25Å; L226-F229 HydrophobicContact CG-CE1 3.73Å; L226-F229 HydrophobicContact CG-CZ 3.81Å; L226-F229 WeakPolarHBondContact O-CE2 3.34Å; L226-F229 VanDerWaalsContact O-CZ 3.23Å; L226-F229 WeakPolarHBondContact O-CZ 3.41Å |
| 227 | A | 92.1 | Very high | 90.2 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | trans | -140.2 | 173.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V148 H208 N215 L217 | V148-A227 HydrophobicContact CG2-CB 3.88Å; H208-A227 PolarHBondContact NE2-O 2.8Å; N215-A227 WeakPolarHBondContact CB-O 3.32Å; N215-A227 PolarHBondContact O-N 2.7Å; L217-A227 HydrophobicContact CD1-CB 3.67Å; L217-A227 HydrophobicContact CG-CB 3.83Å | ||
| 228 | D | 88.1 | Confident | 89.2 | Confident | 40 Ų | 40 | 36.7 Ų | 36.7 | 21% | 0.214 | 20% | 0.203 | C | C | . | . | trans | 51.6 | 60.7 | -177.2 | -158.7 | 7.9 | 0 | 0 | 0 | 115.3 | K118 G230 | K118-D228 IonicContact NZ-OD1 3.09Å; K118-D228 PolarHBondContact NZ-OD1 3.49Å; D228-G230 PolarHBondContact O-N 3.17Å; D228-G230 PolarHBondContact OD1-N 3.37Å | ||
| 229 | F | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -70.3 | 15.6 | 174.1 | -54.7 | -80.8 | 0 | 0 | 0 | 113.4 | E135 I138 M139 I147 L201 H208 L226 T231 A232 | E135-F229 HydrophobicContact CB-CB 3.92Å; E135-F229 HydrophobicContact CG-CB 4.07Å; E135-F229 PolarHBondContact OE1-N 2.93Å; I138-F229 HydrophobicContact CB-CD1 4.47Å; I138-F229 HydrophobicContact CB-CG 4.36Å; I138-F229 HydrophobicContact CD1-CB 3.91Å; I138-F229 HydrophobicContact CD1-CD1 3.87Å; I138-F229 HydrophobicContact CD1-CG 4.04Å; I138-F229 HydrophobicContact CG2-CD1 3.77Å; I138-F229 HydrophobicContact CG2-CD2 4.1Å; I138-F229 HydrophobicContact CG2-CE1 3.71Å; I138-F229 HydrophobicContact CG2-CE2 4.05Å; I138-F229 HydrophobicContact CG2-CG 3.97Å; I138-F229 HydrophobicContact CG2-CZ 3.87Å; M139-F229 HydrophobicContact CG-CD2 3.49Å; M139-F229 VanDerWaalsContact CG-CD2 3.49Å; M139-F229 HydrophobicContact CG-CE2 3.69Å; M139-F229 HydrophobicContact SD-CD2 3.91Å; M139-F229 HydrophobicContact SD-CE2 4.35Å; I147-F229 HydrophobicContact CD1-CE1 4.07Å; I147-F229 HydrophobicContact CD1-CZ 3.71Å; I147-F229 HydrophobicContact CG2-CE2 3.91Å; I147-F229 HydrophobicContact CG2-CZ 3.84Å; L201-F229 HydrophobicContact CD1-CD1 4.1Å; L201-F229 HydrophobicContact CD1-CE1 4.01Å; L201-F229 HydrophobicContact CD2-CE1 4.37Å; H208-F229 AromaticContact CD2-CD1 3.49Å; H208-F229 VanDerWaalsContact CD2-CD1 3.49Å; H208-F229 WeakPolarHBondContact CD2-CD1 3.44Å; H208-F229 AromaticContact CD2-CE1 3.66Å; H208-F229 AromaticContact NE2-CD1 3.58Å; H208-F229 AromaticContact NE2-CE1 3.8Å; L226-F229 HydrophobicContact CB-CE1 4.48Å; L226-F229 HydrophobicContact CB-CZ 4.11Å; L226-F229 HydrophobicContact CD2-CE1 3.79Å; L226-F229 HydrophobicContact CD2-CZ 4.25Å; L226-F229 HydrophobicContact CG-CE1 3.73Å; L226-F229 HydrophobicContact CG-CZ 3.81Å; L226-F229 WeakPolarHBondContact O-CE2 3.34Å; L226-F229 VanDerWaalsContact O-CZ 3.23Å; L226-F229 WeakPolarHBondContact O-CZ 3.41Å; F229-T231 PolarHBondContact O-N 2.88Å; F229-T231 VanDerWaalsContact O-N 3.12Å; F229-A232 HydrophobicContact CB-CB 3.98Å; F229-A232 WeakPolarHBondContact O-CB 3.31Å; F229-A232 PolarHBondContact O-N 2.85Å |
| 230 | G | 81.8 | Confident | 87.8 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -63.8 | -14.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D228 | D228-G230 PolarHBondContact O-N 3.17Å; D228-G230 PolarHBondContact OD1-N 3.37Å |
| 231 | T | 83.7 | Confident | 87.4 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 14% | 0.135 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -102.7 | -5.8 | 169.8 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | H208 R209 D210 F229 V248 | H208-T231 CarbonylContact O-C 3.33Å; H208-T231 PolarHBondContact O-OG1 2.81Å; R209-T231 VanDerWaalsContact CZ-O 3.24Å; R209-T231 PolarHBondContact NE-O 2.86Å; R209-T231 PolarHBondContact NH2-O 3.35Å; D210-T231 HydrophobicContact CB-CG2 3.93Å; D210-T231 WeakPolarHBondContact CB-OG1 3.29Å; D210-T231 PolarHBondContact N-OG1 3.12Å; F229-T231 PolarHBondContact O-N 2.88Å; F229-T231 VanDerWaalsContact O-N 3.12Å; T231-V248 HydrophobicContact CG2-CB 4.31Å; T231-V248 HydrophobicContact CG2-CG2 4.46Å |
| 232 | A | 88.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | trans | -65 | 159.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A134 I138 I207 F229 | A134-A232 HydrophobicContact CB-CB 4.38Å; I138-A232 HydrophobicContact CD1-CB 3.63Å; I207-A232 CarbonylContact O-C 3.53Å; I207-A232 WeakPolarHBondContact O-CA 3.38Å; I207-A232 WeakPolarHBondContact O-CB 3.25Å; F229-A232 HydrophobicContact CB-CB 3.98Å; F229-A232 WeakPolarHBondContact O-CB 3.31Å; F229-A232 PolarHBondContact O-N 2.85Å | ||
| 233 | I | 86.2 | Confident | 85.9 | Confident | 32 Ų | 32 | 47 Ų | 47 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 141.9 | -178 | -170.5 | 159.5 | 0 | 0 | 0 | 111.5 | F206 I207 R209 I242 | F206-I233 CarbonylContact C-O 3.52Å; F206-I233 VanDerWaalsContact CA-O 3.32Å; F206-I233 WeakPolarHBondContact CA-O 3.08Å; I207-I233 HydrophobicContact CB-CG2 4.23Å; I207-I233 PolarHBondContact N-O 3.26Å; I207-I233 PolarHBondContact O-N 2.69Å; R209-I233 HydrophobicContact CG-CG2 4.36Å; R209-I233 VanDerWaalsContact CZ-CG2 3.42Å; I233-I242 HydrophobicContact CD1-CD1 4.19Å; I233-I242 HydrophobicContact CG1-CG2 4.36Å; I233-I242 HydrophobicContact CG2-CD1 3.51Å; I233-I242 HydrophobicContact CG2-CG2 4.37Å |
| 234 | R | 87.1 | Confident | 84.4 | Confident | 141 Ų | 141 | 47.4 Ų | 47.4 | 53% | 0.532 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 135.9 | 176.9 | -154.9 | 179 | -169.3 | -171 | 7.6 | 110.5 | G205 F206 I242 | G205-R234 CarbonylContact O-C 3.52Å; G205-R234 WeakPolarHBondContact O-CA 3.4Å; F206-R234 HydrophobicContact CD1-CB 4Å; F206-R234 HydrophobicContact CD1-CG 4.42Å; F206-R234 HydrophobicContact CE1-CB 3.64Å; F206-R234 HydrophobicContact CE1-CG 4.03Å; F206-R234 HydrophobicContact CE2-CG 4.32Å; F206-R234 HydrophobicContact CZ-CB 4.08Å; F206-R234 HydrophobicContact CZ-CG 3.97Å; R234-I242 WeakPolarHBondContact O-CG2 3.44Å |
| 235 | V | 86.1 | Confident | 82.8 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 9% | 0.085 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 152.1 | 171.3 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | G205 I207 P237 I242 F271 | G205-V235 PolarHBondContact O-N 3.24Å; I207-V235 HydrophobicContact CD1-CG1 3.64Å; I207-V235 HydrophobicContact CG1-CG1 3.68Å; V235-P237 WeakPolarHBondContact O-CD 2.91Å; V235-I242 HydrophobicContact CG1-CG2 4.44Å; V235-F271 HydrophobicContact CB-CZ 4.3Å; V235-F271 HydrophobicContact CG1-CD1 4.36Å; V235-F271 HydrophobicContact CG1-CE1 3.77Å; V235-F271 HydrophobicContact CG1-CE2 4.12Å; V235-F271 HydrophobicContact CG1-CZ 3.65Å; V235-F271 HydrophobicContact CG2-CE1 4.44Å; V235-F271 HydrophobicContact CG2-CE2 4.19Å; V235-F271 HydrophobicContact CG2-CZ 3.66Å |
| 236 | D | 80.5 | Confident | 81.3 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 122.6 | 164.5 | 170.6 | -89.1 | 0 | 0 | 0 | 109.3 | E238 T239 S240 L241 | D236-E238 VanDerWaalsContact C-N 3.28Å; D236-E238 PolarHBondContact O-N 2.68Å; D236-E238 PolarHBondContact OD1-N 3.38Å; D236-E238 VanDerWaalsContact OD1-N 3.14Å; D236-T239 WeakPolarHBondContact CB-OG1 3.05Å; D236-T239 PolarHBondContact O-N 2.79Å; D236-T239 WeakPolarHBondContact OD1-CB 3.43Å; D236-T239 WeakPolarHBondContact OD1-CG2 3.34Å; D236-T239 PolarHBondContact OD1-N 3.3Å; D236-T239 PolarHBondContact OD1-OG1 3.2Å; D236-S240 WeakPolarHBondContact O-CA 3.2Å; D236-S240 PolarHBondContact O-N 3.11Å; D236-L241 WeakPolarHBondContact CB-O 3.31Å; D236-L241 PolarHBondContact N-O 3.07Å |
| 237 | P | 77 | Confident | 79.8 | Confident | 107 Ų | 107 | 53.3 Ų | 53.3 | 70% | 0.695 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.4 | -172.7 | -24.1 | 35.4 | 0 | 0 | 0 | 115.4 | V235 | V235-P237 WeakPolarHBondContact O-CD 2.91Š|
| 238 | E | 74.4 | Confident | 78.7 | Confident | 185 Ų | 185 | 55 Ų | 55 | 86% | 0.864 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -34.7 | -179.7 | -61.2 | -169 | 176.7 | 0 | 0 | 111.8 | D236 | D236-E238 VanDerWaalsContact C-N 3.28Å; D236-E238 PolarHBondContact O-N 2.68Å; D236-E238 PolarHBondContact OD1-N 3.38Å; D236-E238 VanDerWaalsContact OD1-N 3.14Å |
| 239 | T | 81.2 | Confident | 78 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 52% | 0.515 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -17 | -176.2 | 61.6 | 0 | 0 | 0 | 0 | 114.3 | D236 L241 | D236-T239 WeakPolarHBondContact CB-OG1 3.05Å; D236-T239 PolarHBondContact O-N 2.79Å; D236-T239 WeakPolarHBondContact OD1-CB 3.43Å; D236-T239 WeakPolarHBondContact OD1-CG2 3.34Å; D236-T239 PolarHBondContact OD1-N 3.3Å; D236-T239 PolarHBondContact OD1-OG1 3.2Å; T239-L241 PolarHBondContact O-N 3.05Å; T239-L241 PolarHBondContact OG1-N 3.09Å |
| 240 | S | 80.4 | Confident | 77.8 | Confident | 55 Ų | 55 | 56 Ų | 56 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 55.1 | 28 | -170.8 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | D236 | D236-S240 WeakPolarHBondContact O-CA 3.2Å; D236-S240 PolarHBondContact O-N 3.11Å |
| 241 | L | 84.1 | Confident | 78.1 | Confident | 50 Ų | 50 | 57 Ų | 57 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | trans | -130.7 | 167.9 | -177.7 | -69 | 171.1 | 0 | 0 | 0 | 110.2 | D236 T239 Y269 | D236-L241 WeakPolarHBondContact CB-O 3.31Å; D236-L241 PolarHBondContact N-O 3.07Å; T239-L241 PolarHBondContact O-N 3.05Å; T239-L241 PolarHBondContact OG1-N 3.09Å; L241-Y269 WeakPolarHBondContact CA-O 3.33Å | ||
| 242 | I | 82.3 | Confident | 78.5 | Confident | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 156 | 165.1 | 56.9 | 158 | 0 | 0 | 0 | 110.9 | I207 I233 R234 V235 C244 S268 Y269 | I207-I242 HydrophobicContact CD1-CD1 4.22Å; I207-I242 HydrophobicContact CD1-CG1 4.02Å; I207-I242 HydrophobicContact CD1-CG2 4.39Å; I233-I242 HydrophobicContact CD1-CD1 4.19Å; I233-I242 HydrophobicContact CG1-CG2 4.36Å; I233-I242 HydrophobicContact CG2-CD1 3.51Å; I233-I242 HydrophobicContact CG2-CG2 4.37Å; R234-I242 WeakPolarHBondContact O-CG2 3.44Å; V235-I242 HydrophobicContact CG1-CG2 4.44Å; I242-C244 HydrophobicContact CD1-CB 4.34Å; I242-S268 CarbonylContact O-C 3.46Å; I242-S268 WeakPolarHBondContact O-CA 3.21Å; I242-S268 WeakPolarHBondContact O-CB 3.38Å; I242-Y269 HydrophobicContact CD1-CD2 3.89Å; I242-Y269 HydrophobicContact CD1-CE1 4.27Å; I242-Y269 HydrophobicContact CD1-CE2 3.25Å; I242-Y269 VanDerWaalsContact CD1-CZ 3.46Å; I242-Y269 HydrophobicContact CG1-CD2 3.87Å; I242-Y269 HydrophobicContact CG1-CE2 3.77Å; I242-Y269 HydrophobicContact CG1-CG 4.36Å; I242-Y269 WeakPolarHBondContact CG1-O 3.41Å; I242-Y269 PolarHBondContact N-O 2.96Å; I242-Y269 PolarHBondContact O-N 3.23Å; I242-Y269 VanDerWaalsContact O-N 3.14Å |
| 243 | H | 75 | Confident | 78.8 | Confident | 123 Ų | 123 | 57.9 Ų | 57.9 | 57% | 0.569 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.6 | 170.2 | -173.6 | 80.9 | 0 | 0 | 0 | 107.9 | G266 | H243-G266 PolarHBondContact CE1-O 3.38Å; H243-G266 PolarHBondContact ND1-O 2.88Å |
| 244 | C | 66.4 | Low | 79.1 | Confident | 23 Ų | 23 | 56.7 Ų | 56.7 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | trans | -146.3 | 111.2 | -173 | -89.7 | 0 | 0 | 0 | 0 | 112.1 | R209 I242 A246 S261 Y269 | R209-C244 PolarHBondContact NH1-SG 3.14Å; I242-C244 HydrophobicContact CD1-CB 4.34Å; C244-A246 PolarHBondContact O-N 2.78Å; C244-S261 WeakPolarHBondContact O-CB 3.38Å; C244-S261 PolarHBondContact O-OG 2.72Å; C244-Y269 HydrophobicContact CB-CE1 4.02Å | ||
| 245 | D | 63.6 | Low | 79.4 | Confident | 63 Ų | 63 | 50 Ų | 50 | 34% | 0.337 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -68.2 | -16.1 | 176.7 | -58.3 | -55.3 | 0 | 0 | 0 | 113.3 | Q1458 | D245-Q1458 PolarHBondContact OD2-NE2 2.72Å; D245-Q1458 PolarHBondContact OD2-OE1 2.82Å |
| 246 | A | 64.2 | Low | 79.7 | Confident | 50 Ų | 50 | 49.6 Ų | 49.6 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -107.5 | 129.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C244 V248 | C244-A246 PolarHBondContact O-N 2.78Å; A246-V248 HydrophobicContact CB-CG1 4.43Å |
| 247 | A | 64.9 | Low | 80.1 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | trans | -79.3 | 120.9 | 156 | 0 | 0 | 0 | 0 | 0 | 108 | L254 V258 Q262 | A247-L254 HydrophobicContact CB-CD1 4.38Å; A247-V258 HydrophobicContact CB-CG1 3.68Å; A247-Q262 HydrophobicContact CB-CG 3.61Å | ||
| 248 | V | 68.3 | Low | 80.6 | Confident | 48 Ų | 48 | 42 Ų | 42 | 29% | 0.291 | 24% | 0.242 | S | C | . | . | trans | -117.7 | 148.3 | 169.8 | -65.5 | 0 | 0 | 0 | 0 | 107.9 | R209 T231 A246 L254 | R209-V248 VanDerWaalsContact CZ-CG2 3.45Å; T231-V248 HydrophobicContact CG2-CB 4.31Å; T231-V248 HydrophobicContact CG2-CG2 4.46Å; A246-V248 HydrophobicContact CB-CG1 4.43Å; V248-L254 VanDerWaalsContact O-CD2 3.28Å; V248-L254 WeakPolarHBondContact O-CD2 3.48Å | ||
| 249 | G | 72.7 | Confident | 81.1 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 24% | 0.237 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 116.2 | 165.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D210 | D210-G249 WeakPolarHBondContact OD1-CA 3.27Š|
| 250 | T | 84.4 | Confident | 81.1 | Confident | 38 Ų | 38 | 34.6 Ų | 34.6 | 23% | 0.233 | 21% | 0.205 | C | C | . | . | trans | -77.5 | 127 | -169.1 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | D210 K212 D252 Y253 L254 | D210-T250 VanDerWaalsContact OD1-CB 3.26Å; D210-T250 WeakPolarHBondContact OD1-CB 3.45Å; D210-T250 PolarHBondContact OD1-N 3.05Å; D210-T250 PolarHBondContact OD1-OG1 3.42Å; K212-T250 HydrophobicContact CD-CG2 4.3Å; K212-T250 WeakPolarHBondContact CD-OG1 3.33Å; K212-T250 PolarHBondContact NZ-OG1 3.11Å; T250-D252 VanDerWaalsContact C-N 3.29Å; T250-D252 PolarHBondContact O-N 2.76Å; T250-Y253 HydrophobicContact CG2-CD2 3.8Å; T250-Y253 HydrophobicContact CG2-CE2 4.03Å; T250-Y253 PolarHBondContact O-N 3.39Å; T250-L254 PolarHBondContact O-N 3.32Å | ||
| 251 | P | 88.1 | Confident | 80.6 | Confident | 28 Ų | 28 | 32 Ų | 32 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -36.5 | -161 | -34.8 | 38.1 | 0 | 0 | 0 | 117.8 | L297 Y301 I304 | P251-L297 HydrophobicContact CB-CD2 3.79Å; P251-L297 HydrophobicContact CG-CD2 3.79Å; P251-Y301 HydrophobicContact CB-CE1 3.81Å; P251-I304 WeakPolarHBondContact O-CD1 3.35Å |
| 252 | D | 92.8 | Very high | 79.4 | Confident | 23 Ų | 23 | 33 Ų | 33 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -22 | -176.6 | -63.4 | -108.1 | 0 | 0 | 0 | 113.7 | T250 T290 T300 | T250-D252 VanDerWaalsContact C-N 3.29Å; T250-D252 PolarHBondContact O-N 2.76Å; D252-T290 HydrophobicContact CB-CG2 3.78Å; D252-T290 PolarHBondContact OD1-OG1 3.24Å; D252-T290 VanDerWaalsContact OD1-OG1 3.05Å; D252-T300 HydrophobicContact CB-CG2 4.22Å; D252-T300 VanDerWaalsContact OD1-CG2 3.3Å; D252-T300 WeakPolarHBondContact OD1-CG2 2.92Å |
| 253 | Y | 95.6 | Very high | 77.8 | Confident | 19 Ų | 19 | 34.3 Ų | 34.3 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -13.9 | -178.6 | -59.3 | -93.7 | 0 | 0 | 0 | 113 | L211 K212 P213 T250 S255 W276 V280 V281 E284 T290 | L211-Y253 WeakPolarHBondContact O-CD1 3.44Å; K212-Y253 HydrophobicContact CB-CD1 3.88Å; K212-Y253 HydrophobicContact CB-CD2 3.98Å; K212-Y253 HydrophobicContact CB-CE1 3.75Å; K212-Y253 HydrophobicContact CB-CE2 3.86Å; K212-Y253 HydrophobicContact CB-CG 4Å; P213-Y253 WeakPolarHBondContact CD-OH 3.32Å; T250-Y253 HydrophobicContact CG2-CD2 3.8Å; T250-Y253 HydrophobicContact CG2-CE2 4.03Å; T250-Y253 PolarHBondContact O-N 3.39Å; Y253-S255 PolarHBondContact O-N 2.98Å; Y253-W276 VanDerWaalsContact O-CD1 3.23Å; Y253-V280 HydrophobicContact CD1-CB 3.9Å; Y253-V280 HydrophobicContact CD1-CG1 3.43Å; Y253-V280 VanDerWaalsContact CD1-CG1 3.43Å; Y253-V280 HydrophobicContact CE1-CB 4.36Å; Y253-V280 HydrophobicContact CE1-CG1 3.64Å; Y253-V280 HydrophobicContact CG-CG1 4.02Å; Y253-V281 HydrophobicContact CD1-CG2 4Å; Y253-V281 HydrophobicContact CE1-CG2 3.71Å; Y253-E284 PolarHBondContact OH-OE1 3.12Å; Y253-E284 PolarHBondContact OH-OE2 2.81Å; Y253-T290 HydrophobicContact CE2-CG2 4.44Å |
| 254 | L | 92.8 | Very high | 76.2 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | trans | -64.5 | 134 | -178.1 | -66.3 | 177.7 | 0 | 0 | 0 | 111.7 | A247 V248 T250 V258 L259 W276 Y301 I304 | A247-L254 HydrophobicContact CB-CD1 4.38Å; V248-L254 VanDerWaalsContact O-CD2 3.28Å; V248-L254 WeakPolarHBondContact O-CD2 3.48Å; T250-L254 PolarHBondContact O-N 3.32Å; L254-V258 HydrophobicContact CD2-CG1 4.13Å; L254-L259 HydrophobicContact CB-CD2 3.54Å; L254-L259 HydrophobicContact CB-CG 4.26Å; L254-L259 HydrophobicContact CD1-CD2 3.54Å; L254-L259 HydrophobicContact CG-CD2 4.16Å; L254-W276 PolarHBondContact O-NE1 3.03Å; L254-Y301 HydrophobicContact CD1-CE1 4.16Å; L254-I304 WeakPolarHBondContact O-CG2 3.45Å | ||
| 255 | S | 92.7 | Very high | 75 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | trans | -79.3 | 156.3 | 178 | 75.4 | 0 | 0 | 0 | 0 | 113 | Y253 E257 V258 L259 W276 | Y253-S255 PolarHBondContact O-N 2.98Å; S255-E257 VanDerWaalsContact C-N 3.26Å; S255-E257 WeakPolarHBondContact CB-OE1 3.28Å; S255-E257 PolarHBondContact O-N 3.07Å; S255-E257 PolarHBondContact OG-OE1 2.98Å; S255-V258 PolarHBondContact O-N 3.34Å; S255-V258 VanDerWaalsContact O-N 3.12Å; S255-V258 WeakPolarHBondContact OG-CG2 3.44Å; S255-L259 WeakPolarHBondContact O-CG 3.34Å; S255-L259 PolarHBondContact O-N 2.67Å; S255-L259 VanDerWaalsContact O-N 3.09Å; S255-W276 VanDerWaalsContact CA-CD1 3.47Å; S255-W276 VanDerWaalsContact CB-CG 3.46Å | ||
| 256 | P | 91.7 | Very high | 74.4 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.6 | -38.8 | -177.3 | -24.6 | 34.2 | 0 | 0 | 0 | 112.9 | L259 L260 W276 I304 M305 | P256-L259 CarbonylContact O-C 3.58Å; P256-L259 WeakPolarHBondContact O-CB 3.49Å; P256-L259 PolarHBondContact O-N 3.15Å; P256-L260 VanDerWaalsContact O-CG 3.31Å; P256-L260 WeakPolarHBondContact O-CG 3.22Å; P256-L260 PolarHBondContact O-N 2.94Å; P256-W276 HydrophobicContact CG-CE3 4.28Å; P256-W276 HydrophobicContact CG-CH2 3.59Å; P256-W276 HydrophobicContact CG-CZ2 4.03Å; P256-W276 HydrophobicContact CG-CZ3 3.72Å; P256-I304 HydrophobicContact CB-CG2 4.45Å; P256-I304 HydrophobicContact CG-CG2 3.98Å; P256-M305 HydrophobicContact CB-SD 4.42Å |
| 257 | E | 89.3 | Confident | 74.2 | Confident | 15 Ų | 15 | 34.2 Ų | 34.2 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.3 | -30.2 | 178.7 | 63.6 | -74.9 | 166.3 | 0 | 0 | 114.6 | S255 L259 L260 S261 V273 R334 R337 | S255-E257 VanDerWaalsContact C-N 3.26Å; S255-E257 WeakPolarHBondContact CB-OE1 3.28Å; S255-E257 PolarHBondContact O-N 3.07Å; S255-E257 PolarHBondContact OG-OE1 2.98Å; E257-L259 VanDerWaalsContact C-N 3.32Å; E257-L260 PolarHBondContact O-N 3.49Å; E257-S261 PolarHBondContact O-N 2.93Å; E257-V273 HydrophobicContact CG-CG1 4.18Å; E257-R334 HydrophobicContact CG-CB 4.28Å; E257-R337 IonicContact OE1-CZ 3.15Å; E257-R337 IonicContact OE1-NH1 2.76Å; E257-R337 PolarHBondContact OE1-NH1 3.43Å; E257-R337 IonicContact OE1-NH2 3.93Å; E257-R337 PolarHBondContact OE1-NH2 2.74Å; E257-R337 IonicContact OE2-CZ 3.27Å; E257-R337 IonicContact OE2-NH1 3.51Å; E257-R337 IonicContact OE2-NH2 3.55Å; E257-R337 PolarHBondContact OE2-NH2 2.58Å |
| 258 | V | 87.5 | Confident | 74.8 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.5 | -33.5 | 169.3 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | A247 L254 S255 L260 S261 Y269 V273 | A247-V258 HydrophobicContact CB-CG1 3.68Å; L254-V258 HydrophobicContact CD2-CG1 4.13Å; S255-V258 PolarHBondContact O-N 3.34Å; S255-V258 VanDerWaalsContact O-N 3.12Å; S255-V258 WeakPolarHBondContact OG-CG2 3.44Å; V258-L260 VanDerWaalsContact C-N 3.34Å; V258-S261 PolarHBondContact O-OG 3.12Å; V258-Y269 HydrophobicContact CG2-CD1 4.17Å; V258-Y269 HydrophobicContact CG2-CD2 4.04Å; V258-Y269 HydrophobicContact CG2-CE1 4.05Å; V258-Y269 HydrophobicContact CG2-CE2 3.87Å; V258-Y269 HydrophobicContact CG2-CG 4.17Å; V258-V273 HydrophobicContact CG2-CB 4.02Å; V258-V273 HydrophobicContact CG2-CG1 3.57Å |
| 259 | L | 85.1 | Confident | 75.6 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.5 | -26.5 | 172.6 | -56.6 | -163.3 | 0 | 0 | 0 | 113.3 | L254 S255 P256 E257 Y301 I304 M305 | L254-L259 HydrophobicContact CB-CD2 3.54Å; L254-L259 HydrophobicContact CB-CG 4.26Å; L254-L259 HydrophobicContact CD1-CD2 3.54Å; L254-L259 HydrophobicContact CG-CD2 4.16Å; S255-L259 WeakPolarHBondContact O-CG 3.34Å; S255-L259 PolarHBondContact O-N 2.67Å; S255-L259 VanDerWaalsContact O-N 3.09Å; P256-L259 CarbonylContact O-C 3.58Å; P256-L259 WeakPolarHBondContact O-CB 3.49Å; P256-L259 PolarHBondContact O-N 3.15Å; E257-L259 VanDerWaalsContact C-N 3.32Å; L259-Y301 HydrophobicContact CD1-CD1 3.68Å; L259-Y301 HydrophobicContact CD1-CE1 4.5Å; L259-Y301 HydrophobicContact CD1-CG 4.29Å; L259-Y301 HydrophobicContact CD2-CD1 4.2Å; L259-Y301 HydrophobicContact CD2-CE1 4.23Å; L259-I304 HydrophobicContact CD1-CB 3.96Å; L259-I304 HydrophobicContact CD1-CD1 4.18Å; L259-I304 HydrophobicContact CD1-CG2 3.63Å; L259-I304 HydrophobicContact CG-CG2 4.34Å; L259-M305 HydrophobicContact CB-SD 3.82Å; L259-M305 HydrophobicContact CD1-CG 4.33Å; L259-M305 HydrophobicContact CD1-SD 4.41Å |
| 260 | L | 81.6 | Confident | 76.4 | Confident | 106 Ų | 106 | 32.1 Ų | 32.1 | 56% | 0.555 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -80.9 | -28.9 | 174.1 | -73.7 | 165.6 | 0 | 0 | 0 | 113 | P256 E257 V258 Q262 G263 M305 | P256-L260 VanDerWaalsContact O-CG 3.31Å; P256-L260 WeakPolarHBondContact O-CG 3.22Å; P256-L260 PolarHBondContact O-N 2.94Å; E257-L260 PolarHBondContact O-N 3.49Å; V258-L260 VanDerWaalsContact C-N 3.34Å; L260-Q262 PolarHBondContact O-N 2.76Å; L260-G263 PolarHBondContact O-N 3.43Å; L260-M305 HydrophobicContact CD1-CE 4.14Å; L260-M305 HydrophobicContact CD2-CE 3.69Å; L260-M305 HydrophobicContact CG-CE 3.77Å; L260-M305 HydrophobicContact CG-SD 4.23Å |
| 261 | S | 68.6 | Low | 76.7 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -27.1 | 178.6 | 85.1 | 0 | 0 | 0 | 0 | 112.7 | C244 E257 V258 G263 G267 | C244-S261 WeakPolarHBondContact O-CB 3.38Å; C244-S261 PolarHBondContact O-OG 2.72Å; E257-S261 PolarHBondContact O-N 2.93Å; V258-S261 PolarHBondContact O-OG 3.12Å; S261-G263 PolarHBondContact O-N 3.47Å; S261-G263 VanDerWaalsContact O-N 3.12Å; S261-G267 WeakPolarHBondContact CB-O 3.49Å |
| 262 | Q | 59.9 | Low | 76.9 | Confident | 71 Ų | 71 | 31.7 Ų | 31.7 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -6.6 | 170.9 | -44.8 | -159.4 | -91.3 | 0 | 0 | 114.3 | A247 L260 | A247-Q262 HydrophobicContact CB-CG 3.61Å; L260-Q262 PolarHBondContact O-N 2.76Å |
| 263 | G | 49.6 | Very low | 76.9 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -81.4 | 157.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L260 S261 G265 G266 | L260-G263 PolarHBondContact O-N 3.43Å; S261-G263 PolarHBondContact O-N 3.47Å; S261-G263 VanDerWaalsContact O-N 3.12Å; G263-G265 PolarHBondContact O-N 2.8Å; G263-G266 PolarHBondContact O-N 3.06Å |
| 264 | I | 41 | Very low | 76.9 | Confident | 137 Ų | 137 | 30 Ų | 30 | 70% | 0.703 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | 97.9 | 171.4 | -58.1 | 171.4 | 0 | 0 | 0 | 108.3 | Y1451 | I264-Y1451 HydrophobicContact CD1-CE1 4.23Å; I264-Y1451 WeakPolarHBondContact CG2-OH 3.22Å |
| 265 | G | 41.2 | Very low | 77 | Confident | 76 Ų | 76 | 29.8 Ų | 29.8 | 78% | 0.784 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 149.7 | -20.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G263 | G263-G265 PolarHBondContact O-N 2.8Š|
| 266 | G | 50.3 | Low | 77.2 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | trans | 63.8 | 71.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H243 G263 | H243-G266 PolarHBondContact CE1-O 3.38Å; H243-G266 PolarHBondContact ND1-O 2.88Å; G263-G266 PolarHBondContact O-N 3.06Å | ||
| 267 | G | 59.6 | Low | 77.4 | Confident | 30 Ų | 30 | 29.7 Ų | 29.7 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | trans | -64.5 | 140.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S261 | S261-G267 WeakPolarHBondContact CB-O 3.49Š| ||
| 268 | S | 77.1 | Confident | 77.8 | Confident | 50 Ų | 50 | 29 Ų | 29 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 141.2 | 170.5 | 56.2 | 0 | 0 | 0 | 0 | 112 | I242 R334 | I242-S268 CarbonylContact O-C 3.46Å; I242-S268 WeakPolarHBondContact O-CA 3.21Å; I242-S268 WeakPolarHBondContact O-CB 3.38Å; S268-R334 PolarHBondContact O-NH1 3.09Å; S268-R334 PolarHBondContact O-NH2 2.87Å |
| 269 | Y | 86.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 160.1 | -179.9 | 57.8 | -96 | 0 | 0 | 0 | 111.4 | R209 L241 I242 C244 V258 V273 | R209-Y269 WeakPolarHBondContact CD-OH 3.35Å; R209-Y269 HydrophobicContact CG-CE2 4.39Å; R209-Y269 PolarHBondContact NH1-OH 3.4Å; R209-Y269 VanDerWaalsContact NH1-OH 3.14Å; L241-Y269 WeakPolarHBondContact CA-O 3.33Å; I242-Y269 HydrophobicContact CD1-CD2 3.89Å; I242-Y269 HydrophobicContact CD1-CE1 4.27Å; I242-Y269 HydrophobicContact CD1-CE2 3.25Å; I242-Y269 VanDerWaalsContact CD1-CZ 3.46Å; I242-Y269 HydrophobicContact CG1-CD2 3.87Å; I242-Y269 HydrophobicContact CG1-CE2 3.77Å; I242-Y269 HydrophobicContact CG1-CG 4.36Å; I242-Y269 WeakPolarHBondContact CG1-O 3.41Å; I242-Y269 PolarHBondContact N-O 2.96Å; I242-Y269 PolarHBondContact O-N 3.23Å; I242-Y269 VanDerWaalsContact O-N 3.14Å; C244-Y269 HydrophobicContact CB-CE1 4.02Å; V258-Y269 HydrophobicContact CG2-CD1 4.17Å; V258-Y269 HydrophobicContact CG2-CD2 4.04Å; V258-Y269 HydrophobicContact CG2-CE1 4.05Å; V258-Y269 HydrophobicContact CG2-CE2 3.87Å; V258-Y269 HydrophobicContact CG2-CG 4.17Å; Y269-V273 HydrophobicContact CD2-CG1 3.49Å; Y269-V273 VanDerWaalsContact CD2-CG1 3.49Å; Y269-V273 HydrophobicContact CD2-CG2 4.29Å; Y269-V273 HydrophobicContact CE2-CG1 4.23Å; Y269-V273 HydrophobicContact CE2-CG2 4.46Å; Y269-V273 HydrophobicContact CG-CG1 3.95Å |
| 270 | G | 88.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | trans | -123.1 | -157.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I207 E272 V273 | I207-G270 VanDerWaalsContact CD1-C 3.47Å; I207-G270 WeakPolarHBondContact CD1-O 3.41Å; G270-E272 WeakPolarHBondContact CA-OE2 3.19Å; G270-E272 PolarHBondContact N-OE1 2.86Å; G270-E272 PolarHBondContact N-OE2 2.97Å; G270-E272 PolarHBondContact O-N 3.42Å; G270-E272 VanDerWaalsContact O-N 3.08Å; G270-V273 PolarHBondContact O-N 2.56Å | ||
| 271 | F | 91.3 | Very high | 79.6 | Confident | 45 Ų | 45 | 23.3 Ų | 23.3 | 20% | 0.197 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -22.1 | 179.2 | -60.6 | -68.3 | 0 | 0 | 0 | 114.5 | H202 F206 I207 V235 V273 D274 | H202-F271 HydrophobicContact CB-CD1 3.81Å; H202-F271 HydrophobicContact CB-CE1 3.97Å; H202-F271 HydrophobicContact CB-CG 4.4Å; H202-F271 AromaticContact CD2-CD1 3.56Å; H202-F271 AromaticContact CG-CD1 3.49Å; H202-F271 VanDerWaalsContact CG-CD1 3.49Å; H202-F271 AromaticContact ND1-CD1 3.94Å; H202-F271 AromaticContact NE2-CD1 4Å; F206-F271 WeakPolarHBondContact O-CE1 3.47Å; I207-F271 HydrophobicContact CG1-CD1 3.81Å; I207-F271 HydrophobicContact CG1-CE1 4.2Å; I207-F271 HydrophobicContact CG1-CG 4.49Å; V235-F271 HydrophobicContact CB-CZ 4.3Å; V235-F271 HydrophobicContact CG1-CD1 4.36Å; V235-F271 HydrophobicContact CG1-CE1 3.77Å; V235-F271 HydrophobicContact CG1-CE2 4.12Å; V235-F271 HydrophobicContact CG1-CZ 3.65Å; V235-F271 HydrophobicContact CG2-CE1 4.44Å; V235-F271 HydrophobicContact CG2-CE2 4.19Å; V235-F271 HydrophobicContact CG2-CZ 3.66Å; F271-V273 PolarHBondContact O-N 3.25Å; F271-V273 VanDerWaalsContact O-N 3.1Å; F271-D274 PolarHBondContact O-N 3.28Å |
| 272 | E | 91.2 | Very high | 81 | Confident | 12 Ų | 12 | 23.2 Ų | 23.2 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68 | -11.5 | -173.9 | 75.6 | -74.6 | 179.3 | 0 | 0 | 115.2 | G270 D274 W275 W276 R334 R337 | G270-E272 WeakPolarHBondContact CA-OE2 3.19Å; G270-E272 PolarHBondContact N-OE1 2.86Å; G270-E272 PolarHBondContact N-OE2 2.97Å; G270-E272 PolarHBondContact O-N 3.42Å; G270-E272 VanDerWaalsContact O-N 3.08Å; E272-D274 VanDerWaalsContact C-N 3.33Å; E272-W275 PolarHBondContact O-N 3.44Å; E272-W276 PolarHBondContact O-N 2.88Å; E272-R334 HydrophobicContact CG-CB 3.92Å; E272-R334 IonicContact OE1-CZ 2.69Å; E272-R334 IonicContact OE1-NE 3.75Å; E272-R334 PolarHBondContact OE1-NE 3.42Å; E272-R334 IonicContact OE1-NH2 2.67Å; E272-R334 PolarHBondContact OE1-NH2 2.38Å; E272-R337 WeakPolarHBondContact O-CD 3.49Å; E272-R337 PolarHBondContact O-NH1 2.67Å |
| 273 | V | 93.1 | Very high | 82.7 | Confident | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.03 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.2 | -32.5 | 173.8 | -52.5 | 0 | 0 | 0 | 0 | 112 | I207 R209 E257 V258 Y269 G270 F271 W276 A277 | I207-V273 HydrophobicContact CG2-CG2 3.32Å; R209-V273 HydrophobicContact CG-CG2 4.39Å; E257-V273 HydrophobicContact CG-CG1 4.18Å; V258-V273 HydrophobicContact CG2-CB 4.02Å; V258-V273 HydrophobicContact CG2-CG1 3.57Å; Y269-V273 HydrophobicContact CD2-CG1 3.49Å; Y269-V273 VanDerWaalsContact CD2-CG1 3.49Å; Y269-V273 HydrophobicContact CD2-CG2 4.29Å; Y269-V273 HydrophobicContact CE2-CG1 4.23Å; Y269-V273 HydrophobicContact CE2-CG2 4.46Å; Y269-V273 HydrophobicContact CG-CG1 3.95Å; G270-V273 PolarHBondContact O-N 2.56Å; F271-V273 PolarHBondContact O-N 3.25Å; F271-V273 VanDerWaalsContact O-N 3.1Å; V273-W276 WeakPolarHBondContact O-CB 3.26Å; V273-W276 PolarHBondContact O-N 3.1Å; V273-A277 PolarHBondContact O-N 3.04Å |
| 274 | D | 95.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -74.6 | -33.9 | 178.6 | -62 | -27.6 | 0 | 0 | 0 | 110.8 | L198 H202 I207 H208 R209 F271 E272 W276 A277 L278 | L198-D274 HydrophobicContact CD1-CB 4.18Å; L198-D274 HydrophobicContact CD2-CB 3.78Å; H202-D274 IonicContact CD2-OD2 3.17Å; H202-D274 IonicContact CE1-OD2 3.59Å; H202-D274 IonicContact NE2-OD2 2.69Å; H202-D274 PolarHBondContact NE2-OD2 2.95Å; I207-D274 WeakPolarHBondContact CG2-OD2 3.23Å; H208-D274 WeakPolarHBondContact CB-OD1 3.41Å; H208-D274 PolarHBondContact N-OD1 2.89Å; H208-D274 PolarHBondContact N-OD2 3.27Å; R209-D274 PolarHBondContact N-OD1 3.02Å; F271-D274 PolarHBondContact O-N 3.28Å; E272-D274 VanDerWaalsContact C-N 3.33Å; D274-W276 VanDerWaalsContact C-N 3.3Å; D274-W276 PolarHBondContact O-N 2.82Å; D274-A277 PolarHBondContact O-N 3.06Å; D274-L278 PolarHBondContact O-N 3.4Å |
| 275 | W | 95.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.8 | -35.3 | 172.5 | -61 | 137 | 0 | 0 | 0 | 112.3 | I195 L198 I199 H202 E272 L278 G279 L330 G339 L345 V348 | I195-W275 HydrophobicContact CG1-CZ3 4.1Å; I195-W275 HydrophobicContact CG2-CH2 4.47Å; I195-W275 HydrophobicContact CG2-CZ3 4.44Å; L198-W275 HydrophobicContact CB-CH2 3.91Å; L198-W275 HydrophobicContact CB-CZ3 4.08Å; L198-W275 HydrophobicContact CD1-CE3 3.8Å; L198-W275 HydrophobicContact CD1-CH2 4.17Å; L198-W275 HydrophobicContact CD1-CZ3 3.52Å; L198-W275 HydrophobicContact CG-CZ3 4.48Å; I199-W275 HydrophobicContact CG1-CH2 4.12Å; H202-W275 AromaticContact CE1-CE2 3.99Å; H202-W275 AromaticContact CE1-CZ2 3.92Å; H202-W275 AromaticContact ND1-CZ2 3.75Å; E272-W275 PolarHBondContact O-N 3.44Å; W275-L278 HydrophobicContact CE3-CD2 3.96Å; W275-L278 HydrophobicContact CZ3-CD2 4.15Å; W275-G279 PolarHBondContact O-N 3.5Å; W275-L330 HydrophobicContact CB-CD2 4.02Å; W275-L330 WeakPolarHBondContact O-CB 3.43Å; W275-L330 WeakPolarHBondContact O-CD2 3.35Å; W275-G339 PolarHBondContact NE1-O 3.25Å; W275-L345 HydrophobicContact CH2-CD1 4.22Å; W275-L345 HydrophobicContact CZ2-CD1 3.68Å; W275-V348 HydrophobicContact CZ3-CG1 4.21Å |
| 276 | W | 96.5 | Very high | 90 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.3 | -49.4 | 170.8 | 169.7 | -82 | 0 | 0 | 0 | 111.6 | Y253 L254 S255 P256 E272 V273 D274 L278 G279 V280 F292 I304 H307 L331 | Y253-W276 VanDerWaalsContact O-CD1 3.23Å; L254-W276 PolarHBondContact O-NE1 3.03Å; S255-W276 VanDerWaalsContact CA-CD1 3.47Å; S255-W276 VanDerWaalsContact CB-CG 3.46Å; P256-W276 HydrophobicContact CG-CE3 4.28Å; P256-W276 HydrophobicContact CG-CH2 3.59Å; P256-W276 HydrophobicContact CG-CZ2 4.03Å; P256-W276 HydrophobicContact CG-CZ3 3.72Å; E272-W276 PolarHBondContact O-N 2.88Å; V273-W276 WeakPolarHBondContact O-CB 3.26Å; V273-W276 PolarHBondContact O-N 3.1Å; D274-W276 VanDerWaalsContact C-N 3.3Å; D274-W276 PolarHBondContact O-N 2.82Å; W276-L278 VanDerWaalsContact C-N 3.29Å; W276-L278 PolarHBondContact O-N 3.45Å; W276-G279 WeakPolarHBondContact O-CA 3.22Å; W276-G279 PolarHBondContact O-N 3.19Å; W276-V280 PolarHBondContact O-N 3.4Å; W276-V280 VanDerWaalsContact O-N 3.13Å; W276-F292 AromaticContact CH2-CE2 3.84Å; W276-F292 HydrophobicContact CH2-CE2 3.84Å; W276-F292 AromaticContact CH2-CZ 3.75Å; W276-F292 HydrophobicContact CH2-CZ 3.75Å; W276-F292 HydrophobicContact CZ2-CD2 4.06Å; W276-F292 AromaticContact CZ2-CE2 3.27Å; W276-F292 HydrophobicContact CZ2-CE2 3.27Å; W276-F292 AromaticContact CZ2-CZ 3.7Å; W276-F292 HydrophobicContact CZ2-CZ 3.7Å; W276-I304 HydrophobicContact CZ2-CG2 3.99Å; W276-H307 HydrophobicContact CH2-CB 3.65Å; W276-H307 AromaticContact CH2-CG 3.72Å; W276-H307 HydrophobicContact CZ3-CB 4.4Å; W276-L331 HydrophobicContact CD2-CD2 3.97Å; W276-L331 HydrophobicContact CE3-CD2 4.17Å; W276-L331 HydrophobicContact CG-CD2 4.45Å; W276-L331 HydrophobicContact CH2-CD2 4.5Å; W276-L331 HydrophobicContact CZ2-CD2 4.31Å; W276-L331 VanDerWaalsContact CZ3-C 3.45Å; W276-L331 HydrophobicContact CZ3-CB 4.38Å; W276-L331 HydrophobicContact CZ3-CD2 4.44Å |
| 277 | A | 97.3 | Very high | 92 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 3% | 0.033 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.7 | -35.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L211 V273 D274 G279 V280 V281 | L211-A277 HydrophobicContact CB-CB 3.85Å; L211-A277 HydrophobicContact CD2-CB 4.22Å; L211-A277 HydrophobicContact CG-CB 4.49Å; V273-A277 PolarHBondContact O-N 3.04Å; D274-A277 PolarHBondContact O-N 3.06Å; A277-G279 VanDerWaalsContact C-N 3.29Å; A277-G279 PolarHBondContact O-N 3.09Å; A277-V280 WeakPolarHBondContact O-CB 3.28Å; A277-V280 PolarHBondContact O-N 2.85Å; A277-V280 VanDerWaalsContact O-N 3.11Å; A277-V281 WeakPolarHBondContact O-CG2 3.18Å; A277-V281 PolarHBondContact O-N 2.99Å |
| 278 | L | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.4 | -40.2 | 169.4 | 175.6 | 63.3 | 0 | 0 | 0 | 111.9 | T194 I195 L211 D274 W275 W276 V280 V281 I282 L330 | T194-L278 HydrophobicContact CG2-CD1 3.83Å; I195-L278 HydrophobicContact CD1-CD2 4.12Å; I195-L278 HydrophobicContact CG1-CD2 3.55Å; L211-L278 HydrophobicContact CD2-CB 4.08Å; D274-L278 PolarHBondContact O-N 3.4Å; W275-L278 HydrophobicContact CE3-CD2 3.96Å; W275-L278 HydrophobicContact CZ3-CD2 4.15Å; W276-L278 VanDerWaalsContact C-N 3.29Å; W276-L278 PolarHBondContact O-N 3.45Å; L278-V280 VanDerWaalsContact C-N 3.3Å; L278-V280 PolarHBondContact O-N 3.32Å; L278-V281 PolarHBondContact O-N 3.04Å; L278-I282 HydrophobicContact CD1-CD1 3.88Å; L278-I282 HydrophobicContact CD1-CG1 4.14Å; L278-I282 HydrophobicContact CD2-CD1 4.49Å; L278-I282 HydrophobicContact CG-CD1 3.78Å; L278-I282 HydrophobicContact CG-CG1 4.47Å; L278-I282 WeakPolarHBondContact O-CD1 3.24Å; L278-I282 VanDerWaalsContact O-CG1 3.25Å; L278-I282 WeakPolarHBondContact O-CG1 3.4Å; L278-I282 PolarHBondContact O-N 3.49Å; L278-L330 HydrophobicContact CB-CD1 4.43Å; L278-L330 HydrophobicContact CD2-CD1 4.21Å; L278-L330 HydrophobicContact CG-CD1 4.1Å |
| 279 | G | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.8 | -33.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W275 W276 A277 Y283 | W275-G279 PolarHBondContact O-N 3.5Å; W276-G279 WeakPolarHBondContact O-CA 3.22Å; W276-G279 PolarHBondContact O-N 3.19Å; A277-G279 VanDerWaalsContact C-N 3.29Å; A277-G279 PolarHBondContact O-N 3.09Å; G279-Y283 WeakPolarHBondContact O-CB 3.31Å; G279-Y283 PolarHBondContact O-N 2.91Å |
| 280 | V | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.8 | -46.2 | 173.6 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | Y253 W276 A277 L278 Y283 E284 T290 P291 F292 L331 | Y253-V280 HydrophobicContact CD1-CB 3.9Å; Y253-V280 HydrophobicContact CD1-CG1 3.43Å; Y253-V280 VanDerWaalsContact CD1-CG1 3.43Å; Y253-V280 HydrophobicContact CE1-CB 4.36Å; Y253-V280 HydrophobicContact CE1-CG1 3.64Å; Y253-V280 HydrophobicContact CG-CG1 4.02Å; W276-V280 PolarHBondContact O-N 3.4Å; W276-V280 VanDerWaalsContact O-N 3.13Å; A277-V280 WeakPolarHBondContact O-CB 3.28Å; A277-V280 PolarHBondContact O-N 2.85Å; A277-V280 VanDerWaalsContact O-N 3.11Å; L278-V280 VanDerWaalsContact C-N 3.3Å; L278-V280 PolarHBondContact O-N 3.32Å; V280-Y283 PolarHBondContact O-N 3.04Å; V280-E284 PolarHBondContact O-N 3.01Å; V280-T290 HydrophobicContact CG1-CG2 4.43Å; V280-P291 HydrophobicContact CG1-CG 4.37Å; V280-P291 HydrophobicContact CG2-CG 4.34Å; V280-F292 HydrophobicContact CG2-CE2 4.32Å; V280-L331 HydrophobicContact CG2-CD2 3.78Å |
| 281 | V | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 177.4 | 169 | 0 | 0 | 0 | 0 | 112 | P213 L216 Y253 A277 L278 E284 M285 | P213-V281 HydrophobicContact CG-CG1 4.37Å; P213-V281 HydrophobicContact CG-CG2 4.31Å; L216-V281 HydrophobicContact CD1-CG1 3.99Å; Y253-V281 HydrophobicContact CD1-CG2 4Å; Y253-V281 HydrophobicContact CE1-CG2 3.71Å; A277-V281 WeakPolarHBondContact O-CG2 3.18Å; A277-V281 PolarHBondContact O-N 2.99Å; L278-V281 PolarHBondContact O-N 3.04Å; V281-E284 PolarHBondContact O-N 3.47Å; V281-M285 HydrophobicContact CG1-CE 3.92Å; V281-M285 WeakPolarHBondContact O-CG 3.32Å; V281-M285 PolarHBondContact O-N 3.38Å |
| 282 | I | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 177.2 | -69.5 | 164.3 | 0 | 0 | 0 | 111.2 | A191 L278 M285 L286 F326 M327 L330 W353 | A191-I282 HydrophobicContact CB-CD1 3.83Å; A191-I282 HydrophobicContact CB-CG1 3.9Å; L278-I282 HydrophobicContact CD1-CD1 3.88Å; L278-I282 HydrophobicContact CD1-CG1 4.14Å; L278-I282 HydrophobicContact CD2-CD1 4.49Å; L278-I282 HydrophobicContact CG-CD1 3.78Å; L278-I282 HydrophobicContact CG-CG1 4.47Å; L278-I282 WeakPolarHBondContact O-CD1 3.24Å; L278-I282 VanDerWaalsContact O-CG1 3.25Å; L278-I282 WeakPolarHBondContact O-CG1 3.4Å; L278-I282 PolarHBondContact O-N 3.49Å; I282-M285 HydrophobicContact CG1-CE 4.09Å; I282-L286 HydrophobicContact CG2-CD1 4.06Å; I282-L286 WeakPolarHBondContact O-CG 3.35Å; I282-L286 PolarHBondContact O-N 2.82Å; I282-F326 HydrophobicContact CD1-CD1 3.84Å; I282-F326 HydrophobicContact CD1-CE1 3.54Å; I282-M327 HydrophobicContact CB-CG 4.29Å; I282-M327 HydrophobicContact CG2-CG 3.64Å; I282-M327 HydrophobicContact CG2-SD 3.83Å; I282-L330 HydrophobicContact CD1-CD1 4.15Å; I282-W353 HydrophobicContact CD1-CH2 4.38Å; I282-W353 HydrophobicContact CD1-CZ3 3.97Å; I282-W353 HydrophobicContact CG1-CH2 4.49Å; I282-W353 HydrophobicContact CG2-CH2 3.98Å; I282-W353 HydrophobicContact CG2-CZ3 4.39Å |
| 283 | Y | 96.7 | Very high | 95.1 | Very high | 13 Ų | 13 | 17.6 Ų | 17.6 | 5% | 0.051 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 175.6 | -177.7 | -75.1 | 0 | 0 | 0 | 111 | G279 V280 M285 L286 Y287 V289 P291 L311 K312 F313 P314 M327 | G279-Y283 WeakPolarHBondContact O-CB 3.31Å; G279-Y283 PolarHBondContact O-N 2.91Å; V280-Y283 PolarHBondContact O-N 3.04Å; Y283-M285 PolarHBondContact O-N 3.38Å; Y283-L286 PolarHBondContact O-N 2.95Å; Y283-Y287 AromaticContact CD1-CD2 3.83Å; Y283-Y287 HydrophobicContact CD1-CD2 3.83Å; Y283-Y287 HydrophobicContact CD1-CG 4.34Å; Y283-Y287 AromaticContact CD2-CD2 3.49Å; Y283-Y287 HydrophobicContact CD2-CD2 3.49Å; Y283-Y287 VanDerWaalsContact CD2-CD2 3.49Å; Y283-Y287 AromaticContact CD2-CE2 3.73Å; Y283-Y287 HydrophobicContact CD2-CE2 3.73Å; Y283-Y287 AromaticContact CE1-CD2 3.78Å; Y283-Y287 HydrophobicContact CE1-CD2 3.78Å; Y283-Y287 AromaticContact CE1-CG 3.95Å; Y283-Y287 HydrophobicContact CE1-CG 3.95Å; Y283-Y287 AromaticContact CE2-CD2 3.44Å; Y283-Y287 HydrophobicContact CE2-CD2 3.44Å; Y283-Y287 VanDerWaalsContact CE2-CD2 3.44Å; Y283-Y287 AromaticContact CE2-CE2 3.69Å; Y283-Y287 HydrophobicContact CE2-CE2 3.69Å; Y283-Y287 HydrophobicContact CE2-CG 4.14Å; Y283-Y287 AromaticContact CG-CD2 3.69Å; Y283-Y287 HydrophobicContact CG-CD2 3.69Å; Y283-Y287 HydrophobicContact CG-CE2 4.32Å; Y283-Y287 AromaticContact CZ-CD2 3.58Å; Y283-Y287 AromaticContact CZ-CG 3.83Å; Y283-Y287 WeakPolarHBondContact O-CB 3.2Å; Y283-Y287 VanDerWaalsContact O-CD2 3.31Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.45Å; Y283-Y287 PolarHBondContact O-N 2.77Å; Y283-V289 WeakPolarHBondContact CD1-O 3.06Å; Y283-V289 WeakPolarHBondContact CE1-O 3.14Å; Y283-P291 HydrophobicContact CD1-CB 3.69Å; Y283-P291 HydrophobicContact CD1-CG 3.94Å; Y283-P291 HydrophobicContact CD2-CB 3.8Å; Y283-P291 HydrophobicContact CD2-CG 4.39Å; Y283-P291 VanDerWaalsContact CE1-CA 3.49Å; Y283-P291 HydrophobicContact CE1-CB 3.86Å; Y283-P291 HydrophobicContact CE2-CB 3.96Å; Y283-P291 HydrophobicContact CG-CB 3.66Å; Y283-P291 HydrophobicContact CG-CG 3.85Å; Y283-L311 HydrophobicContact CD2-CD1 4.42Å; Y283-L311 HydrophobicContact CE2-CD1 4.41Å; Y283-K312 VanDerWaalsContact CE2-O 3.26Å; Y283-K312 WeakPolarHBondContact CE2-O 3.36Å; Y283-K312 PolarHBondContact OH-O 2.96Å; Y283-K312 VanDerWaalsContact OH-O 3.06Å; Y283-F313 HydrophobicContact CD2-CD1 4.08Å; Y283-F313 AromaticContact CD2-CE1 3.9Å; Y283-F313 HydrophobicContact CD2-CE1 3.9Å; Y283-F313 AromaticContact CE2-CD1 3.94Å; Y283-F313 HydrophobicContact CE2-CD1 3.94Å; Y283-F313 HydrophobicContact CE2-CE1 4.16Å; Y283-P314 WeakPolarHBondContact OH-CD 3.4Å; Y283-M327 HydrophobicContact CD2-SD 4.2Å; Y283-M327 HydrophobicContact CG-SD 4.48Å |
| 284 | E | 95.4 | Very high | 95 | Very high | 32 Ų | 32 | 18.9 Ų | 18.9 | 15% | 0.15 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.1 | -39.5 | -178 | -166 | -178 | -122.1 | 0 | 0 | 112.6 | M176 P213 Y253 V280 V281 L286 Y287 G288 T290 | M176-E284 HydrophobicContact CE-CB 4.2Å; M176-E284 HydrophobicContact CE-CG 3.68Å; P213-E284 WeakPolarHBondContact CG-OE2 3.26Å; Y253-E284 PolarHBondContact OH-OE1 3.12Å; Y253-E284 PolarHBondContact OH-OE2 2.81Å; V280-E284 PolarHBondContact O-N 3.01Å; V281-E284 PolarHBondContact O-N 3.47Å; E284-L286 PolarHBondContact O-N 3.37Å; E284-Y287 PolarHBondContact O-N 3.17Å; E284-G288 WeakPolarHBondContact O-CA 2.96Å; E284-G288 PolarHBondContact O-N 2.95Å; E284-T290 HydrophobicContact CG-CG2 4.47Å; E284-T290 WeakPolarHBondContact OE1-CG2 3.27Å |
| 285 | M | 94.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.6 | -36.2 | 173 | -76.1 | -171.6 | -69.9 | 0 | 0 | 113 | L172 M176 M182 V281 I282 Y283 | L172-M285 HydrophobicContact CD2-SD 3.82Å; M176-M285 HydrophobicContact CE-CG 4.35Å; M176-M285 HydrophobicContact SD-CG 3.8Å; M182-M285 HydrophobicContact CB-CB 4.23Å; M182-M285 WeakPolarHBondContact CB-O 3.47Å; M182-M285 HydrophobicContact CE-CB 4.32Å; M182-M285 HydrophobicContact CE-CG 3.85Å; M182-M285 HydrophobicContact CE-SD 3.72Å; M182-M285 PolarHBondContact N-O 3.03Å; M182-M285 HydrophobicContact SD-CB 4.34Å; M182-M285 HydrophobicContact SD-CG 4.24Å; M182-M285 HydrophobicContact SD-SD 3.67Å; M182-M285 VanDerWaalsContact SD-SD 3.67Å; V281-M285 HydrophobicContact CG1-CE 3.92Å; V281-M285 WeakPolarHBondContact O-CG 3.32Å; V281-M285 PolarHBondContact O-N 3.38Å; I282-M285 HydrophobicContact CG1-CE 4.09Å; Y283-M285 PolarHBondContact O-N 3.38Å |
| 286 | L | 93.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -88.8 | -32.5 | -176.7 | -65.3 | 168.8 | 0 | 0 | 0 | 113.6 | E184 C187 I282 Y283 E284 V319 M327 | E184-L286 HydrophobicContact CB-CD2 4.34Å; E184-L286 HydrophobicContact CG-CD2 4.49Å; C187-L286 HydrophobicContact CB-CD2 3.78Å; C187-L286 HydrophobicContact CB-CG 4.26Å; I282-L286 HydrophobicContact CG2-CD1 4.06Å; I282-L286 WeakPolarHBondContact O-CG 3.35Å; I282-L286 PolarHBondContact O-N 2.82Å; Y283-L286 PolarHBondContact O-N 2.95Å; E284-L286 PolarHBondContact O-N 3.37Å; L286-V319 HydrophobicContact CB-CG2 4.39Å; L286-V319 HydrophobicContact CD1-CG1 4Å; L286-V319 HydrophobicContact CD1-CG2 4.24Å; L286-V319 HydrophobicContact CD2-CG2 4.5Å; L286-M327 HydrophobicContact CD1-CE 3.76Å; L286-M327 HydrophobicContact CD1-SD 4.33Å |
| 287 | Y | 92.5 | Very high | 93.9 | Very high | 18 Ų | 18 | 35 Ų | 35 | 7% | 0.071 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -114.5 | -2 | -171.3 | -64.8 | -73.9 | 0 | 0 | 0 | 114.5 | Y283 E284 V289 F313 P314 V317 V319 M327 | Y283-Y287 AromaticContact CD1-CD2 3.83Å; Y283-Y287 HydrophobicContact CD1-CD2 3.83Å; Y283-Y287 HydrophobicContact CD1-CG 4.34Å; Y283-Y287 AromaticContact CD2-CD2 3.49Å; Y283-Y287 HydrophobicContact CD2-CD2 3.49Å; Y283-Y287 VanDerWaalsContact CD2-CD2 3.49Å; Y283-Y287 AromaticContact CD2-CE2 3.73Å; Y283-Y287 HydrophobicContact CD2-CE2 3.73Å; Y283-Y287 AromaticContact CE1-CD2 3.78Å; Y283-Y287 HydrophobicContact CE1-CD2 3.78Å; Y283-Y287 AromaticContact CE1-CG 3.95Å; Y283-Y287 HydrophobicContact CE1-CG 3.95Å; Y283-Y287 AromaticContact CE2-CD2 3.44Å; Y283-Y287 HydrophobicContact CE2-CD2 3.44Å; Y283-Y287 VanDerWaalsContact CE2-CD2 3.44Å; Y283-Y287 AromaticContact CE2-CE2 3.69Å; Y283-Y287 HydrophobicContact CE2-CE2 3.69Å; Y283-Y287 HydrophobicContact CE2-CG 4.14Å; Y283-Y287 AromaticContact CG-CD2 3.69Å; Y283-Y287 HydrophobicContact CG-CD2 3.69Å; Y283-Y287 HydrophobicContact CG-CE2 4.32Å; Y283-Y287 AromaticContact CZ-CD2 3.58Å; Y283-Y287 AromaticContact CZ-CG 3.83Å; Y283-Y287 WeakPolarHBondContact O-CB 3.2Å; Y283-Y287 VanDerWaalsContact O-CD2 3.31Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.45Å; Y283-Y287 PolarHBondContact O-N 2.77Å; E284-Y287 PolarHBondContact O-N 3.17Å; Y287-V289 PolarHBondContact O-N 3.34Å; Y287-F313 AromaticContact CE2-CD1 3.92Å; Y287-F313 HydrophobicContact CE2-CD1 3.92Å; Y287-P314 HydrophobicContact CD1-CB 4.35Å; Y287-P314 HydrophobicContact CD1-CG 4.06Å; Y287-P314 HydrophobicContact CE1-CB 4.34Å; Y287-P314 HydrophobicContact CE1-CG 4.3Å; Y287-V317 HydrophobicContact CD1-CB 3.96Å; Y287-V317 HydrophobicContact CD1-CG2 3.61Å; Y287-V317 HydrophobicContact CE1-CB 3.67Å; Y287-V317 HydrophobicContact CE1-CG1 4.45Å; Y287-V317 HydrophobicContact CE1-CG2 3.83Å; Y287-V319 HydrophobicContact CE1-CG2 4.5Å; Y287-V319 HydrophobicContact CE2-CG2 4.49Å; Y287-M327 HydrophobicContact CE2-CE 4.27Å |
| 288 | G | 90.4 | Very high | 93.4 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 40% | 0.402 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 71.1 | 2.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | E284 | E284-G288 WeakPolarHBondContact O-CA 2.96Å; E284-G288 PolarHBondContact O-N 2.95Å |
| 289 | V | 91.7 | Very high | 93.1 | Very high | 78 Ų | 78 | 39 Ų | 39 | 47% | 0.473 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -149.8 | 153.5 | 179.1 | -64.9 | 0 | 0 | 0 | 0 | 110.4 | Y283 Y287 | Y283-V289 WeakPolarHBondContact CD1-O 3.06Å; Y283-V289 WeakPolarHBondContact CE1-O 3.14Å; Y287-V289 PolarHBondContact O-N 3.34Å |
| 290 | T | 94.5 | Very high | 92.8 | Very high | 12 Ų | 12 | 39 Ų | 39 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | trans | -66.6 | 146.8 | 175.5 | 78.1 | 0 | 0 | 0 | 0 | 111.8 | D252 Y253 V280 E284 F292 Y293 | D252-T290 HydrophobicContact CB-CG2 3.78Å; D252-T290 PolarHBondContact OD1-OG1 3.24Å; D252-T290 VanDerWaalsContact OD1-OG1 3.05Å; Y253-T290 HydrophobicContact CE2-CG2 4.44Å; V280-T290 HydrophobicContact CG1-CG2 4.43Å; E284-T290 HydrophobicContact CG-CG2 4.47Å; E284-T290 WeakPolarHBondContact OE1-CG2 3.27Å; T290-F292 PolarHBondContact O-N 3.11Å; T290-F292 VanDerWaalsContact O-N 3.09Å; T290-Y293 PolarHBondContact O-N 2.96Å; T290-Y293 WeakPolarHBondContact OG1-CA 3.12Å; T290-Y293 WeakPolarHBondContact OG1-CB 2.26Å; T290-Y293 PolarHBondContact OG1-N 3.14Å | ||
| 291 | P | 95.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 41 Ų | 41 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.7 | -176.9 | 21.8 | -30 | 0 | 0 | 0 | 114.6 | V280 Y283 L311 L331 | V280-P291 HydrophobicContact CG1-CG 4.37Å; V280-P291 HydrophobicContact CG2-CG 4.34Å; Y283-P291 HydrophobicContact CD1-CB 3.69Å; Y283-P291 HydrophobicContact CD1-CG 3.94Å; Y283-P291 HydrophobicContact CD2-CB 3.8Å; Y283-P291 HydrophobicContact CD2-CG 4.39Å; Y283-P291 VanDerWaalsContact CE1-CA 3.49Å; Y283-P291 HydrophobicContact CE1-CB 3.86Å; Y283-P291 HydrophobicContact CE2-CB 3.96Å; Y283-P291 HydrophobicContact CG-CB 3.66Å; Y283-P291 HydrophobicContact CG-CG 3.85Å; P291-L311 HydrophobicContact CB-CD1 3.62Å; P291-L331 HydrophobicContact CB-CD1 4.42Å; P291-L331 HydrophobicContact CG-CD1 4.05Å |
| 292 | F | 96.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 5.2 | -175.7 | -53.9 | -60.2 | 0 | 0 | 0 | 113.6 | W276 V280 T290 T300 N303 I304 H307 L311 L331 | W276-F292 AromaticContact CH2-CE2 3.84Å; W276-F292 HydrophobicContact CH2-CE2 3.84Å; W276-F292 AromaticContact CH2-CZ 3.75Å; W276-F292 HydrophobicContact CH2-CZ 3.75Å; W276-F292 HydrophobicContact CZ2-CD2 4.06Å; W276-F292 AromaticContact CZ2-CE2 3.27Å; W276-F292 HydrophobicContact CZ2-CE2 3.27Å; W276-F292 AromaticContact CZ2-CZ 3.7Å; W276-F292 HydrophobicContact CZ2-CZ 3.7Å; V280-F292 HydrophobicContact CG2-CE2 4.32Å; T290-F292 PolarHBondContact O-N 3.11Å; T290-F292 VanDerWaalsContact O-N 3.09Å; F292-T300 WeakPolarHBondContact O-CA 3.01Å; F292-N303 HydrophobicContact CB-CB 3.89Å; F292-N303 HydrophobicContact CD1-CB 4.19Å; F292-N303 HydrophobicContact CG-CB 4.49Å; F292-N303 WeakPolarHBondContact O-CB 3.46Å; F292-N303 PolarHBondContact O-ND2 3.06Å; F292-I304 HydrophobicContact CB-CG1 3.72Å; F292-I304 HydrophobicContact CD2-CG1 3.71Å; F292-I304 HydrophobicContact CG-CG1 3.73Å; F292-H307 HydrophobicContact CE1-CB 3.71Å; F292-H307 HydrophobicContact CZ-CB 3.82Å; F292-L311 HydrophobicContact CE1-CB 4.03Å; F292-L311 HydrophobicContact CE1-CD1 4.42Å; F292-L311 HydrophobicContact CZ-CB 4.47Å; F292-L311 HydrophobicContact CZ-CD1 4.34Å; F292-L331 HydrophobicContact CE2-CD2 4.17Å |
| 293 | Y | 91.5 | Very high | 92.1 | Very high | 146 Ų | 146 | 44.4 Ų | 44.4 | 57% | 0.573 | 24% | 0.238 | S | C | * | . | trans | -48.1 | 145 | -175.4 | -178.8 | -104.1 | 0 | 0 | 0 | 113.8 | T290 N303 | T290-Y293 PolarHBondContact O-N 2.96Å; T290-Y293 WeakPolarHBondContact OG1-CA 3.12Å; T290-Y293 WeakPolarHBondContact OG1-CB 2.26Å; T290-Y293 PolarHBondContact OG1-N 3.14Å; Y293-N303 PolarHBondContact O-ND2 2.81Å | ||
| 294 | S | 90.7 | Very high | 91.9 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | trans | -158 | 154 | 167.6 | -159.2 | 0 | 0 | 0 | 0 | 111.1 | T296 N299 T300 | S294-T296 PolarHBondContact O-N 2.84Å; S294-N299 VanDerWaalsContact OG-CB 3.24Å; S294-N299 WeakPolarHBondContact OG-CB 3.35Å; S294-T300 PolarHBondContact N-OG1 3.42Å | ||
| 295 | E | 87.5 | Confident | 91.7 | Very high | 181 Ų | 181 | 45.2 Ų | 45.2 | 85% | 0.846 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -53.6 | -16.5 | 175.2 | -59.2 | 175.9 | 173.6 | 0 | 0 | 114.4 | ||
| 296 | T | 88.3 | Confident | 91.7 | Very high | 66 Ų | 66 | 48.1 Ų | 48.1 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -135.2 | 135.6 | 176.5 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | S294 V298 N299 T300 | S294-T296 PolarHBondContact O-N 2.84Å; T296-V298 PolarHBondContact O-N 2.82Å; T296-N299 WeakPolarHBondContact O-CA 3.3Å; T296-N299 WeakPolarHBondContact O-CB 2.24Å; T296-N299 PolarHBondContact O-N 3.46Å; T296-N299 PolarHBondContact OG1-ND2 3.15Å; T296-T300 PolarHBondContact O-N 3.07Å; T296-T300 PolarHBondContact O-OG1 3.3Å |
| 297 | L | 87.6 | Confident | 91.6 | Very high | 94 Ų | 94 | 48.5 Ų | 48.5 | 49% | 0.492 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -50.9 | -35.9 | 177.4 | -59.4 | 179.6 | 0 | 0 | 0 | 113.1 | P251 N299 T300 Y301 | P251-L297 HydrophobicContact CB-CD2 3.79Å; P251-L297 HydrophobicContact CG-CD2 3.79Å; L297-N299 VanDerWaalsContact C-N 3.26Å; L297-N299 PolarHBondContact O-N 3.18Å; L297-T300 PolarHBondContact O-N 3.25Å; L297-Y301 HydrophobicContact CB-CD2 4.5Å; L297-Y301 HydrophobicContact CB-CE2 4.07Å; L297-Y301 WeakPolarHBondContact O-CB 3.46Å; L297-Y301 WeakPolarHBondContact O-CD2 3.44Å; L297-Y301 PolarHBondContact O-N 2.68Å |
| 298 | V | 87.5 | Confident | 91.6 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -28.6 | -180 | -162.9 | 0 | 0 | 0 | 0 | 111.7 | T296 A302 R1377 L1518 | T296-V298 PolarHBondContact O-N 2.82Å; V298-A302 WeakPolarHBondContact O-CB 3.18Å; V298-A302 PolarHBondContact O-N 3.24Å; V298-A302 VanDerWaalsContact O-N 3.14Å; V298-R1377 HydrophobicContact CG1-CB 4.37Å; V298-R1377 HydrophobicContact CG1-CG 3.87Å; V298-R1377 VanDerWaalsContact CG1-NH1 3.28Å; V298-L1518 HydrophobicContact CG1-CD1 3.8Å; V298-L1518 HydrophobicContact CG1-CD2 4.35Å |
| 299 | N | 91.1 | Very high | 91.7 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 32% | 0.316 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -83.3 | -38.9 | 173 | -70.7 | -10.5 | 0 | 0 | 0 | 111.8 | S294 T296 L297 Y301 A302 N303 R1377 | S294-N299 VanDerWaalsContact OG-CB 3.24Å; S294-N299 WeakPolarHBondContact OG-CB 3.35Å; T296-N299 WeakPolarHBondContact O-CA 3.3Å; T296-N299 WeakPolarHBondContact O-CB 2.24Å; T296-N299 PolarHBondContact O-N 3.46Å; T296-N299 PolarHBondContact OG1-ND2 3.15Å; L297-N299 VanDerWaalsContact C-N 3.26Å; L297-N299 PolarHBondContact O-N 3.18Å; N299-Y301 VanDerWaalsContact C-N 3.3Å; N299-Y301 PolarHBondContact O-N 2.98Å; N299-A302 CarbonylContact O-C 3.6Å; N299-A302 WeakPolarHBondContact O-CA 2.96Å; N299-A302 WeakPolarHBondContact O-CB 2.89Å; N299-A302 PolarHBondContact O-N 2.84Å; N299-N303 VanDerWaalsContact O-CG 3.26Å; N299-N303 PolarHBondContact O-N 3.38Å; N299-R1377 PolarHBondContact OD1-NH1 3.05Å; N299-R1377 PolarHBondContact OD1-NH2 3.46Å |
| 300 | T | 91.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54 | -48.3 | 169.2 | -49 | 0 | 0 | 0 | 0 | 110.8 | D252 F292 S294 T296 L297 A302 N303 I304 | D252-T300 HydrophobicContact CB-CG2 4.22Å; D252-T300 VanDerWaalsContact OD1-CG2 3.3Å; D252-T300 WeakPolarHBondContact OD1-CG2 2.92Å; F292-T300 WeakPolarHBondContact O-CA 3.01Å; S294-T300 PolarHBondContact N-OG1 3.42Å; T296-T300 PolarHBondContact O-N 3.07Å; T296-T300 PolarHBondContact O-OG1 3.3Å; L297-T300 PolarHBondContact O-N 3.25Å; T300-A302 VanDerWaalsContact C-N 3.32Å; T300-A302 PolarHBondContact O-N 3.38Å; T300-N303 WeakPolarHBondContact O-CB 3.48Å; T300-N303 PolarHBondContact O-N 2.75Å; T300-N303 VanDerWaalsContact O-N 3.15Å; T300-I304 HydrophobicContact CG2-CD1 4.19Å; T300-I304 WeakPolarHBondContact O-CG1 3.46Å; T300-I304 PolarHBondContact O-N 3.07Å |
| 301 | Y | 91.5 | Very high | 91.7 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -33.8 | 173.6 | -63.4 | -35 | 0 | 0 | 0 | 113.5 | P251 L254 L259 L297 N299 M305 K1378 | P251-Y301 HydrophobicContact CB-CE1 3.81Å; L254-Y301 HydrophobicContact CD1-CE1 4.16Å; L259-Y301 HydrophobicContact CD1-CD1 3.68Å; L259-Y301 HydrophobicContact CD1-CE1 4.5Å; L259-Y301 HydrophobicContact CD1-CG 4.29Å; L259-Y301 HydrophobicContact CD2-CD1 4.2Å; L259-Y301 HydrophobicContact CD2-CE1 4.23Å; L297-Y301 HydrophobicContact CB-CD2 4.5Å; L297-Y301 HydrophobicContact CB-CE2 4.07Å; L297-Y301 WeakPolarHBondContact O-CB 3.46Å; L297-Y301 WeakPolarHBondContact O-CD2 3.44Å; L297-Y301 PolarHBondContact O-N 2.68Å; N299-Y301 VanDerWaalsContact C-N 3.3Å; N299-Y301 PolarHBondContact O-N 2.98Å; Y301-M305 VanDerWaalsContact O-CB 3.28Å; Y301-M305 WeakPolarHBondContact O-CB 3.47Å; Y301-M305 WeakPolarHBondContact O-CG 3.42Å; Y301-M305 PolarHBondContact O-N 3.11Å; Y301-K1378 VanDerWaalsContact CD1-NZ 3.33Å; Y301-K1378 HydrophobicContact CD2-CD 3.36Å; Y301-K1378 HydrophobicContact CE2-CD 4.04Å; Y301-K1378 HydrophobicContact CG-CD 3.68Å; Y301-K1378 VanDerWaalsContact CG-NZ 3.31Å |
| 302 | A | 90.4 | Very high | 91.6 | Very high | 25 Ų | 25 | 60.8 Ų | 60.8 | 21% | 0.207 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.6 | -30.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V298 N299 T300 N306 | V298-A302 WeakPolarHBondContact O-CB 3.18Å; V298-A302 PolarHBondContact O-N 3.24Å; V298-A302 VanDerWaalsContact O-N 3.14Å; N299-A302 CarbonylContact O-C 3.6Å; N299-A302 WeakPolarHBondContact O-CA 2.96Å; N299-A302 WeakPolarHBondContact O-CB 2.89Å; N299-A302 PolarHBondContact O-N 2.84Å; T300-A302 VanDerWaalsContact C-N 3.32Å; T300-A302 PolarHBondContact O-N 3.38Å; A302-N306 WeakPolarHBondContact O-CB 3.45Å; A302-N306 PolarHBondContact O-N 2.84Å |
| 303 | N | 94.4 | Very high | 91.4 | Very high | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.251 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -50.9 | 173.6 | -68.6 | -18.9 | 0 | 0 | 0 | 110.3 | F292 Y293 N299 T300 M305 N306 H307 S310 | F292-N303 HydrophobicContact CB-CB 3.89Å; F292-N303 HydrophobicContact CD1-CB 4.19Å; F292-N303 HydrophobicContact CG-CB 4.49Å; F292-N303 WeakPolarHBondContact O-CB 3.46Å; F292-N303 PolarHBondContact O-ND2 3.06Å; Y293-N303 PolarHBondContact O-ND2 2.81Å; N299-N303 VanDerWaalsContact O-CG 3.26Å; N299-N303 PolarHBondContact O-N 3.38Å; T300-N303 WeakPolarHBondContact O-CB 3.48Å; T300-N303 PolarHBondContact O-N 2.75Å; T300-N303 VanDerWaalsContact O-N 3.15Å; N303-M305 PolarHBondContact O-N 2.93Å; N303-N306 CarbonylContact O-C 3.34Å; N303-N306 WeakPolarHBondContact O-CA 3.46Å; N303-N306 PolarHBondContact O-N 3.04Å; N303-H307 PolarHBondContact O-N 2.99Å; N303-S310 PolarHBondContact O-OG 2.96Å |
| 304 | I | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 175.9 | -67 | 161.3 | 0 | 0 | 0 | 111.3 | P251 L254 P256 L259 W276 F292 T300 N306 H307 | P251-I304 WeakPolarHBondContact O-CD1 3.35Å; L254-I304 WeakPolarHBondContact O-CG2 3.45Å; P256-I304 HydrophobicContact CB-CG2 4.45Å; P256-I304 HydrophobicContact CG-CG2 3.98Å; L259-I304 HydrophobicContact CD1-CB 3.96Å; L259-I304 HydrophobicContact CD1-CD1 4.18Å; L259-I304 HydrophobicContact CD1-CG2 3.63Å; L259-I304 HydrophobicContact CG-CG2 4.34Å; W276-I304 HydrophobicContact CZ2-CG2 3.99Å; F292-I304 HydrophobicContact CB-CG1 3.72Å; F292-I304 HydrophobicContact CD2-CG1 3.71Å; F292-I304 HydrophobicContact CG-CG1 3.73Å; T300-I304 HydrophobicContact CG2-CD1 4.19Å; T300-I304 WeakPolarHBondContact O-CG1 3.46Å; T300-I304 PolarHBondContact O-N 3.07Å; I304-N306 PolarHBondContact O-N 3.18Å; I304-H307 WeakPolarHBondContact O-CB 3.19Å; I304-H307 PolarHBondContact O-N 3.48Å; I304-H307 PolarHBondContact O-ND1 2.84Å |
| 305 | M | 91.3 | Very high | 91.1 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -4.3 | 176.8 | -70.4 | -55.4 | -46.5 | 0 | 0 | 114.3 | P256 L259 L260 Y301 N303 | P256-M305 HydrophobicContact CB-SD 4.42Å; L259-M305 HydrophobicContact CB-SD 3.82Å; L259-M305 HydrophobicContact CD1-CG 4.33Å; L259-M305 HydrophobicContact CD1-SD 4.41Å; L260-M305 HydrophobicContact CD1-CE 4.14Å; L260-M305 HydrophobicContact CD2-CE 3.69Å; L260-M305 HydrophobicContact CG-CE 3.77Å; L260-M305 HydrophobicContact CG-SD 4.23Å; Y301-M305 VanDerWaalsContact O-CB 3.28Å; Y301-M305 WeakPolarHBondContact O-CB 3.47Å; Y301-M305 WeakPolarHBondContact O-CG 3.42Å; Y301-M305 PolarHBondContact O-N 3.11Å; N303-M305 PolarHBondContact O-N 2.93Å |
| 306 | N | 93.5 | Very high | 90.8 | Very high | 62 Ų | 62 | 63.7 Ų | 63.7 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | 28.3 | 178.3 | -171.3 | 35.3 | 0 | 0 | 0 | 111 | A302 N303 I304 V308 N309 S310 | A302-N306 WeakPolarHBondContact O-CB 3.45Å; A302-N306 PolarHBondContact O-N 2.84Å; N303-N306 CarbonylContact O-C 3.34Å; N303-N306 WeakPolarHBondContact O-CA 3.46Å; N303-N306 PolarHBondContact O-N 3.04Å; I304-N306 PolarHBondContact O-N 3.18Å; N306-V308 PolarHBondContact O-N 3.27Å; N306-V308 VanDerWaalsContact O-N 3.08Å; N306-N309 PolarHBondContact O-N 2.69Å; N306-N309 PolarHBondContact OD1-ND2 2.89Å; N306-S310 PolarHBondContact O-N 2.94Å; N306-S310 PolarHBondContact O-OG 2.77Å |
| 307 | H | 93.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -50.1 | -40 | -169.9 | 62.5 | -88.7 | 0 | 0 | 0 | 113.9 | W276 F292 N303 I304 N309 S310 L311 L331 D333 | W276-H307 HydrophobicContact CH2-CB 3.65Å; W276-H307 AromaticContact CH2-CG 3.72Å; W276-H307 HydrophobicContact CZ3-CB 4.4Å; F292-H307 HydrophobicContact CE1-CB 3.71Å; F292-H307 HydrophobicContact CZ-CB 3.82Å; N303-H307 PolarHBondContact O-N 2.99Å; I304-H307 WeakPolarHBondContact O-CB 3.19Å; I304-H307 PolarHBondContact O-N 3.48Å; I304-H307 PolarHBondContact O-ND1 2.84Å; H307-N309 PolarHBondContact O-N 3.19Å; H307-S310 VanDerWaalsContact CA-OG 3.27Å; H307-S310 WeakPolarHBondContact CA-OG 3.44Å; H307-S310 PolarHBondContact O-N 2.81Å; H307-L311 WeakPolarHBondContact O-CB 3.37Å; H307-L311 PolarHBondContact O-N 2.95Å; H307-L331 PolarHBondContact CD2-O 2.69Å; H307-L331 VanDerWaalsContact CD2-O 3.3Å; H307-D333 IonicContact CE1-OD1 2.9Å; H307-D333 PolarHBondContact CE1-OD1 3.32Å; H307-D333 PolarHBondContact NE2-N 3.26Å; H307-D333 IonicContact NE2-OD1 3.84Å |
| 308 | V | 91.6 | Very high | 90.4 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 65% | 0.648 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -51.2 | -27.7 | 175 | -175.4 | 0 | 0 | 0 | 0 | 114 | N306 | N306-V308 PolarHBondContact O-N 3.27Å; N306-V308 VanDerWaalsContact O-N 3.08Å |
| 309 | N | 92.4 | Very high | 90.4 | Very high | 114 Ų | 114 | 62.8 Ų | 62.8 | 61% | 0.61 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -119.2 | -13.9 | -179.5 | -55 | -77 | 0 | 0 | 0 | 114.1 | N306 H307 | N306-N309 PolarHBondContact O-N 2.69Å; N306-N309 PolarHBondContact OD1-ND2 2.89Å; H307-N309 PolarHBondContact O-N 3.19Å |
| 310 | S | 93.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 60.5 Ų | 60.5 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -95.5 | -34.9 | -179 | 66 | 0 | 0 | 0 | 0 | 112.4 | N303 N306 H307 K312 | N303-S310 PolarHBondContact O-OG 2.96Å; N306-S310 PolarHBondContact O-N 2.94Å; N306-S310 PolarHBondContact O-OG 2.77Å; H307-S310 VanDerWaalsContact CA-OG 3.27Å; H307-S310 WeakPolarHBondContact CA-OG 3.44Å; H307-S310 PolarHBondContact O-N 2.81Å; S310-K312 PolarHBondContact O-N 3.13Å |
| 311 | L | 94.1 | Very high | 90.5 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | trans | -61.2 | 125.3 | 175.6 | -178.2 | 61.9 | 0 | 0 | 0 | 109.8 | Y283 P291 F292 H307 F313 L331 | Y283-L311 HydrophobicContact CD2-CD1 4.42Å; Y283-L311 HydrophobicContact CE2-CD1 4.41Å; P291-L311 HydrophobicContact CB-CD1 3.62Å; F292-L311 HydrophobicContact CE1-CB 4.03Å; F292-L311 HydrophobicContact CE1-CD1 4.42Å; F292-L311 HydrophobicContact CZ-CB 4.47Å; F292-L311 HydrophobicContact CZ-CD1 4.34Å; H307-L311 WeakPolarHBondContact O-CB 3.37Å; H307-L311 PolarHBondContact O-N 2.95Å; L311-F313 HydrophobicContact CD1-CE2 4.39Å; L311-F313 HydrophobicContact CD1-CZ 4.06Å; L311-F313 HydrophobicContact CD2-CE2 3.98Å; L311-F313 HydrophobicContact CD2-CZ 3.89Å; L311-F313 HydrophobicContact CG-CE2 3.9Å; L311-F313 HydrophobicContact CG-CZ 3.99Å; L311-L331 HydrophobicContact CD1-CD1 3.78Å; L311-L331 HydrophobicContact CD2-CB 3.85Å; L311-L331 HydrophobicContact CD2-CD1 4.17Å | ||
| 312 | K | 92.2 | Very high | 90.6 | Very high | 145 Ų | 145 | 67 Ų | 67 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | trans | -140.1 | 145.3 | 179.1 | -68.4 | 168.7 | -171.5 | 168.4 | 0 | 108.1 | Y283 S310 | Y283-K312 VanDerWaalsContact CE2-O 3.26Å; Y283-K312 WeakPolarHBondContact CE2-O 3.36Å; Y283-K312 PolarHBondContact OH-O 2.96Å; Y283-K312 VanDerWaalsContact OH-O 3.06Å; S310-K312 PolarHBondContact O-N 3.13Å | ||
| 313 | F | 92.7 | Very high | 90.8 | Very high | 49 Ų | 49 | 65.8 Ų | 65.8 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | trans | -112.1 | 107.9 | 175.4 | -61.6 | -83.3 | 0 | 0 | 0 | 107.4 | Y283 Y287 L311 E315 L324 M327 K328 | Y283-F313 HydrophobicContact CD2-CD1 4.08Å; Y283-F313 AromaticContact CD2-CE1 3.9Å; Y283-F313 HydrophobicContact CD2-CE1 3.9Å; Y283-F313 AromaticContact CE2-CD1 3.94Å; Y283-F313 HydrophobicContact CE2-CD1 3.94Å; Y283-F313 HydrophobicContact CE2-CE1 4.16Å; Y287-F313 AromaticContact CE2-CD1 3.92Å; Y287-F313 HydrophobicContact CE2-CD1 3.92Å; L311-F313 HydrophobicContact CD1-CE2 4.39Å; L311-F313 HydrophobicContact CD1-CZ 4.06Å; L311-F313 HydrophobicContact CD2-CE2 3.98Å; L311-F313 HydrophobicContact CD2-CZ 3.89Å; L311-F313 HydrophobicContact CG-CE2 3.9Å; L311-F313 HydrophobicContact CG-CZ 3.99Å; F313-E315 PolarHBondContact O-N 2.92Å; F313-L324 HydrophobicContact CB-CD2 4.06Å; F313-L324 HydrophobicContact CD1-CD2 3.47Å; F313-L324 VanDerWaalsContact CD1-CD2 3.47Å; F313-L324 HydrophobicContact CD2-CD2 4.48Å; F313-L324 HydrophobicContact CE1-CD2 3.99Å; F313-L324 HydrophobicContact CG-CD2 3.75Å; F313-M327 HydrophobicContact CD1-CE 4.29Å; F313-M327 HydrophobicContact CE1-CB 4.11Å; F313-M327 HydrophobicContact CE1-CE 3.9Å; F313-M327 HydrophobicContact CE1-SD 3.94Å; F313-M327 HydrophobicContact CZ-CB 4.26Å; F313-K328 HydrophobicContact CE2-CD 4.46Å; F313-K328 HydrophobicContact CE2-CG 3.95Å; F313-K328 HydrophobicContact CZ-CG 4.03Å | ||
| 314 | P | 89.7 | Confident | 90.8 | Very high | 46 Ų | 46 | 64.7 Ų | 64.7 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | trans | -60.8 | 125.4 | 179 | -25.5 | 33.4 | 0 | 0 | 0 | 112.7 | Y283 Y287 N316 V317 | Y283-P314 WeakPolarHBondContact OH-CD 3.4Å; Y287-P314 HydrophobicContact CD1-CB 4.35Å; Y287-P314 HydrophobicContact CD1-CG 4.06Å; Y287-P314 HydrophobicContact CE1-CB 4.34Å; Y287-P314 HydrophobicContact CE1-CG 4.3Å; P314-N316 WeakPolarHBondContact CB-OD1 3.39Å; P314-N316 PolarHBondContact O-N 2.76Å; P314-V317 PolarHBondContact O-N 2.82Å | ||
| 315 | E | 85 | Confident | 90.9 | Very high | 196 Ų | 196 | 67.2 Ų | 67.2 | 92% | 0.916 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 0 | -179 | -61.3 | 179.2 | 173.9 | 0 | 0 | 114.3 | F313 | F313-E315 PolarHBondContact O-N 2.92Š|
| 316 | N | 82.5 | Confident | 91.1 | Very high | 130 Ų | 130 | 64.2 Ų | 64.2 | 70% | 0.695 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 2.1 | -179.7 | 67.7 | -96.1 | 0 | 0 | 0 | 114.4 | P314 | P314-N316 WeakPolarHBondContact CB-OD1 3.39Å; P314-N316 PolarHBondContact O-N 2.76Å |
| 317 | V | 83.1 | Confident | 91.2 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -120.6 | 125.9 | 169.9 | -171.8 | 0 | 0 | 0 | 0 | 107.9 | Y287 P314 V319 | Y287-V317 HydrophobicContact CD1-CB 3.96Å; Y287-V317 HydrophobicContact CD1-CG2 3.61Å; Y287-V317 HydrophobicContact CE1-CB 3.67Å; Y287-V317 HydrophobicContact CE1-CG1 4.45Å; Y287-V317 HydrophobicContact CE1-CG2 3.83Å; P314-V317 PolarHBondContact O-N 2.82Å; V317-V319 HydrophobicContact CB-CG2 4.35Å; V317-V319 HydrophobicContact CG1-CG2 3.85Å; V317-V319 PolarHBondContact O-N 3.43Å |
| 318 | N | 83.5 | Confident | 91.3 | Very high | 116 Ų | 116 | 65.5 Ų | 65.5 | 62% | 0.62 | 34% | 0.341 | S | S | * | . | trans | -77.5 | 108.6 | 176.8 | -67.2 | 9.8 | 0 | 0 | 0 | 108.5 | H367 | N318-H367 PolarHBondContact ND2-NE2 3.12Š| ||
| 319 | V | 88.9 | Confident | 91.5 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | trans | -128.4 | 132.2 | 177.8 | -179.9 | 0 | 0 | 0 | 0 | 108 | E184 L286 Y287 V317 C323 L324 M327 | E184-V319 WeakPolarHBondContact OE2-CA 3.43Å; L286-V319 HydrophobicContact CB-CG2 4.39Å; L286-V319 HydrophobicContact CD1-CG1 4Å; L286-V319 HydrophobicContact CD1-CG2 4.24Å; L286-V319 HydrophobicContact CD2-CG2 4.5Å; Y287-V319 HydrophobicContact CE1-CG2 4.5Å; Y287-V319 HydrophobicContact CE2-CG2 4.49Å; V317-V319 HydrophobicContact CB-CG2 4.35Å; V317-V319 HydrophobicContact CG1-CG2 3.85Å; V317-V319 PolarHBondContact O-N 3.43Å; V319-C323 HydrophobicContact CG1-CB 3.62Å; V319-L324 HydrophobicContact CB-CD2 4.23Å; V319-L324 HydrophobicContact CB-CG 4.32Å; V319-L324 HydrophobicContact CG1-CD2 4.01Å; V319-L324 HydrophobicContact CG1-CG 3.99Å; V319-M327 HydrophobicContact CG1-CE 4.01Å | ||
| 320 | S | 91.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 8% | 0.077 | 30% | 0.298 | C | S | . | . | trans | -63.1 | 148.6 | -175.5 | 78.6 | 0 | 0 | 0 | 0 | 112.2 | E184 T322 C323 L324 W358 | E184-S320 VanDerWaalsContact OE1-CB 3.29Å; E184-S320 WeakPolarHBondContact OE1-CB 3.46Å; E184-S320 PolarHBondContact OE1-OG 3.4Å; E184-S320 PolarHBondContact OE2-N 2.79Å; S320-T322 PolarHBondContact O-N 2.63Å; S320-T322 VanDerWaalsContact O-N 3.09Å; S320-T322 PolarHBondContact OG-OG1 3.22Å; S320-C323 PolarHBondContact O-N 3Å; S320-C323 PolarHBondContact OG-N 3.45Å; S320-C323 VanDerWaalsContact OG-N 3.13Å; S320-L324 WeakPolarHBondContact O-CG 3.27Å; S320-L324 PolarHBondContact O-N 3.3Å; S320-W358 PolarHBondContact OG-NE1 3.43Å | ||
| 321 | D | 91.7 | Very high | 91.8 | Very high | 137 Ų | 137 | 58 Ų | 58 | 73% | 0.733 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -53.6 | -32.3 | 174 | -82.1 | -42.8 | 0 | 0 | 0 | 112.2 | D325 | D321-D325 WeakPolarHBondContact O-CB 3.31Å; D321-D325 PolarHBondContact O-N 2.78Å |
| 322 | T | 93.8 | Very high | 91.8 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.9 | -38 | 177.3 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | S320 D325 F326 H351 P352 | S320-T322 PolarHBondContact O-N 2.63Å; S320-T322 VanDerWaalsContact O-N 3.09Å; S320-T322 PolarHBondContact OG-OG1 3.22Å; T322-D325 PolarHBondContact O-N 3.27Å; T322-F326 WeakPolarHBondContact O-CB 2.42Å; T322-F326 PolarHBondContact O-N 3.34Å; T322-H351 PolarHBondContact O-CE1 2.99Å; T322-P352 HydrophobicContact CG2-CB 4.02Å |
| 323 | C | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.7 | -42.1 | 174.5 | -173 | 0 | 0 | 0 | 0 | 111.1 | E184 V319 S320 D325 F326 M327 W353 | E184-C323 HydrophobicContact CG-CB 4.37Å; E184-C323 WeakPolarHBondContact OE1-CB 3.27Å; V319-C323 HydrophobicContact CG1-CB 3.62Å; S320-C323 PolarHBondContact O-N 3Å; S320-C323 PolarHBondContact OG-N 3.45Å; S320-C323 VanDerWaalsContact OG-N 3.13Å; C323-D325 VanDerWaalsContact C-N 3.33Å; C323-D325 PolarHBondContact O-N 3.36Å; C323-F326 PolarHBondContact O-N 3.17Å; C323-M327 PolarHBondContact O-N 3.1Å; C323-W353 HydrophobicContact CB-CD2 4.12Å; C323-W353 HydrophobicContact CB-CG 4.13Å; C323-W353 HydrophobicContact CB-CZ2 4.21Å; C323-W353 WeakPolarHBondContact SG-CZ2 3.18Å |
| 324 | L | 94.9 | Very high | 91.5 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 173.3 | -67 | 175.2 | 0 | 0 | 0 | 111.8 | F313 V319 S320 M327 K328 | F313-L324 HydrophobicContact CB-CD2 4.06Å; F313-L324 HydrophobicContact CD1-CD2 3.47Å; F313-L324 VanDerWaalsContact CD1-CD2 3.47Å; F313-L324 HydrophobicContact CD2-CD2 4.48Å; F313-L324 HydrophobicContact CE1-CD2 3.99Å; F313-L324 HydrophobicContact CG-CD2 3.75Å; V319-L324 HydrophobicContact CB-CD2 4.23Å; V319-L324 HydrophobicContact CB-CG 4.32Å; V319-L324 HydrophobicContact CG1-CD2 4.01Å; V319-L324 HydrophobicContact CG1-CG 3.99Å; S320-L324 WeakPolarHBondContact O-CG 3.27Å; S320-L324 PolarHBondContact O-N 3.3Å; L324-M327 HydrophobicContact CD2-CE 4.03Å; L324-K328 WeakPolarHBondContact O-CB 3.38Å; L324-K328 WeakPolarHBondContact O-CD 3.27Å; L324-K328 WeakPolarHBondContact O-CE 3.21Å; L324-K328 WeakPolarHBondContact O-CG 3.44Å; L324-K328 PolarHBondContact O-N 3.45Å |
| 325 | D | 95.1 | Very high | 91.3 | Very high | 53 Ų | 53 | 58.8 Ų | 58.8 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 174.2 | 175.8 | 60.4 | 0 | 0 | 0 | 112.3 | D321 T322 C323 K328 K329 H351 | D321-D325 WeakPolarHBondContact O-CB 3.31Å; D321-D325 PolarHBondContact O-N 2.78Å; T322-D325 PolarHBondContact O-N 3.27Å; C323-D325 VanDerWaalsContact C-N 3.33Å; C323-D325 PolarHBondContact O-N 3.36Å; D325-K328 PolarHBondContact O-N 2.98Å; D325-K329 VanDerWaalsContact CG-NZ 3.26Å; D325-K329 WeakPolarHBondContact O-CB 3.48Å; D325-K329 WeakPolarHBondContact O-CG 3.49Å; D325-K329 PolarHBondContact O-N 3.16Å; D325-K329 WeakPolarHBondContact OD1-CE 3.44Å; D325-K329 IonicContact OD1-NZ 3.18Å; D325-K329 PolarHBondContact OD1-NZ 2.89Å; D325-K329 VanDerWaalsContact OD1-NZ 3.08Å; D325-K329 WeakPolarHBondContact OD2-CE 3.27Å; D325-K329 IonicContact OD2-NZ 3.78Å; D325-K329 PolarHBondContact OD2-NZ 3.11Å; D325-H351 IonicContact OD1-NE2 3.72Å; D325-H351 IonicContact OD2-CE1 2.78Å; D325-H351 PolarHBondContact OD2-CE1 3.31Å; D325-H351 IonicContact OD2-NE2 3.8Å; D325-H351 PolarHBondContact OD2-NE2 3.07Å |
| 326 | F | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -52.8 | 173.7 | -169.4 | -117.5 | 0 | 0 | 0 | 111.3 | I195 I282 T322 C323 K328 K329 L330 L338 V348 H351 W353 F354 | I195-F326 HydrophobicContact CD1-CE1 4.5Å; I195-F326 HydrophobicContact CD1-CZ 3.98Å; I282-F326 HydrophobicContact CD1-CD1 3.84Å; I282-F326 HydrophobicContact CD1-CE1 3.54Å; T322-F326 WeakPolarHBondContact O-CB 2.42Å; T322-F326 PolarHBondContact O-N 3.34Å; C323-F326 PolarHBondContact O-N 3.17Å; F326-K328 VanDerWaalsContact C-N 3.31Å; F326-K328 PolarHBondContact O-N 2.82Å; F326-K329 PolarHBondContact O-N 3.15Å; F326-L330 HydrophobicContact CD1-CD1 3.93Å; F326-L330 HydrophobicContact CE1-CD1 3.54Å; F326-L330 HydrophobicContact CE1-CG 4.41Å; F326-L330 HydrophobicContact CZ-CD1 3.87Å; F326-L330 HydrophobicContact CZ-CD2 4.48Å; F326-L330 HydrophobicContact CZ-CG 4.43Å; F326-L330 WeakPolarHBondContact O-CG 3.26Å; F326-L330 PolarHBondContact O-N 2.91Å; F326-L330 VanDerWaalsContact O-N 3.09Å; F326-L338 HydrophobicContact CD2-CD2 3.84Å; F326-L338 HydrophobicContact CE2-CD2 3.48Å; F326-L338 VanDerWaalsContact CE2-CD2 3.48Å; F326-V348 HydrophobicContact CE2-CG1 4.35Å; F326-V348 HydrophobicContact CZ-CG1 4.23Å; F326-H351 HydrophobicContact CD2-CB 3.83Å; F326-H351 AromaticContact CD2-CD2 3.76Å; F326-H351 AromaticContact CD2-CG 3.44Å; F326-H351 VanDerWaalsContact CD2-CG 3.44Å; F326-H351 AromaticContact CD2-ND1 3.71Å; F326-H351 HydrophobicContact CE2-CB 4.04Å; F326-H351 PolarHBondContact N-CE1 3.27Å; F326-W353 HydrophobicContact CB-CB 4.5Å; F326-W353 HydrophobicContact CB-CE3 4.2Å; F326-W353 AromaticContact CD1-CE3 3.45Å; F326-W353 HydrophobicContact CD1-CE3 3.45Å; F326-W353 VanDerWaalsContact CD1-CE3 3.45Å; F326-W353 AromaticContact CD1-CZ3 3.58Å; F326-W353 HydrophobicContact CD1-CZ3 3.58Å; F326-W353 AromaticContact CE1-CE3 3.99Å; F326-W353 HydrophobicContact CE1-CE3 3.99Å; F326-W353 AromaticContact CE1-CZ3 3.89Å; F326-W353 HydrophobicContact CE1-CZ3 3.89Å; F326-W353 AromaticContact CG-CE3 3.94Å; F326-W353 HydrophobicContact CG-CE3 3.94Å; F326-W353 HydrophobicContact CG-CZ3 4.49Å; F326-F354 HydrophobicContact CD1-CE2 4.48Å; F326-F354 HydrophobicContact CD1-CZ 4.43Å; F326-F354 HydrophobicContact CD2-CE2 4.37Å; F326-F354 AromaticContact CE1-CE2 3.88Å; F326-F354 HydrophobicContact CE1-CE2 3.88Å; F326-F354 AromaticContact CE1-CZ 3.81Å; F326-F354 HydrophobicContact CE1-CZ 3.81Å; F326-F354 AromaticContact CE2-CE2 3.74Å; F326-F354 HydrophobicContact CE2-CE2 3.74Å; F326-F354 AromaticContact CZ-CE2 3.49Å; F326-F354 HydrophobicContact CZ-CE2 3.49Å; F326-F354 VanDerWaalsContact CZ-CE2 3.49Å; F326-F354 AromaticContact CZ-CZ 3.87Å; F326-F354 HydrophobicContact CZ-CZ 3.87Å |
| 327 | M | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.9 | -41.9 | 176.2 | -77.4 | -171.8 | -81.1 | 0 | 0 | 112.3 | I282 Y283 L286 Y287 F313 V319 C323 L324 K329 L330 L331 | I282-M327 HydrophobicContact CB-CG 4.29Å; I282-M327 HydrophobicContact CG2-CG 3.64Å; I282-M327 HydrophobicContact CG2-SD 3.83Å; Y283-M327 HydrophobicContact CD2-SD 4.2Å; Y283-M327 HydrophobicContact CG-SD 4.48Å; L286-M327 HydrophobicContact CD1-CE 3.76Å; L286-M327 HydrophobicContact CD1-SD 4.33Å; Y287-M327 HydrophobicContact CE2-CE 4.27Å; F313-M327 HydrophobicContact CD1-CE 4.29Å; F313-M327 HydrophobicContact CE1-CB 4.11Å; F313-M327 HydrophobicContact CE1-CE 3.9Å; F313-M327 HydrophobicContact CE1-SD 3.94Å; F313-M327 HydrophobicContact CZ-CB 4.26Å; V319-M327 HydrophobicContact CG1-CE 4.01Å; C323-M327 PolarHBondContact O-N 3.1Å; L324-M327 HydrophobicContact CD2-CE 4.03Å; M327-K329 VanDerWaalsContact C-N 3.3Å; M327-K329 PolarHBondContact O-N 3.36Å; M327-L330 PolarHBondContact O-N 3.04Å; M327-L331 WeakPolarHBondContact O-CB 3.31Å; M327-L331 WeakPolarHBondContact O-CG 3.34Å; M327-L331 PolarHBondContact O-N 3.35Å |
| 328 | K | 95.3 | Very high | 92.3 | Very high | 100 Ų | 100 | 50 Ų | 50 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.9 | -30.4 | 177 | -71.9 | 160.4 | -163.4 | 165 | 0 | 113.2 | F313 L324 D325 F326 | F313-K328 HydrophobicContact CE2-CD 4.46Å; F313-K328 HydrophobicContact CE2-CG 3.95Å; F313-K328 HydrophobicContact CZ-CG 4.03Å; L324-K328 WeakPolarHBondContact O-CB 3.38Å; L324-K328 WeakPolarHBondContact O-CD 3.27Å; L324-K328 WeakPolarHBondContact O-CE 3.21Å; L324-K328 WeakPolarHBondContact O-CG 3.44Å; L324-K328 PolarHBondContact O-N 3.45Å; D325-K328 PolarHBondContact O-N 2.98Å; F326-K328 VanDerWaalsContact C-N 3.31Å; F326-K328 PolarHBondContact O-N 2.82Å |
| 329 | K | 94.6 | Very high | 92.3 | Very high | 80 Ų | 80 | 45 Ų | 45 | 35% | 0.348 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -81.8 | -14.6 | 175.8 | -73.1 | 166.5 | 175.5 | 166.4 | 0 | 113.9 | D325 F326 M327 R337 L338 H351 | D325-K329 VanDerWaalsContact CG-NZ 3.26Å; D325-K329 WeakPolarHBondContact O-CB 3.48Å; D325-K329 WeakPolarHBondContact O-CG 3.49Å; D325-K329 PolarHBondContact O-N 3.16Å; D325-K329 WeakPolarHBondContact OD1-CE 3.44Å; D325-K329 IonicContact OD1-NZ 3.18Å; D325-K329 PolarHBondContact OD1-NZ 2.89Å; D325-K329 VanDerWaalsContact OD1-NZ 3.08Å; D325-K329 WeakPolarHBondContact OD2-CE 3.27Å; D325-K329 IonicContact OD2-NZ 3.78Å; D325-K329 PolarHBondContact OD2-NZ 3.11Å; F326-K329 PolarHBondContact O-N 3.15Å; M327-K329 VanDerWaalsContact C-N 3.3Å; M327-K329 PolarHBondContact O-N 3.36Å; K329-R337 WeakPolarHBondContact O-CA 3.19Å; K329-R337 WeakPolarHBondContact O-CG 3.41Å; K329-L338 HydrophobicContact CB-CB 4.3Å; K329-L338 PolarHBondContact O-N 2.5Å; K329-H351 WeakPolarHBondContact CD-NE2 3.24Å; K329-H351 WeakPolarHBondContact CE-NE2 3.27Å; K329-H351 PolarHBondContact NZ-NE2 3.18Å |
| 330 | L | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -93 | -44.3 | 170.6 | -63.3 | -178.2 | 0 | 0 | 0 | 111.6 | W275 L278 I282 F326 M327 C332 R337 L338 | W275-L330 HydrophobicContact CB-CD2 4.02Å; W275-L330 WeakPolarHBondContact O-CB 3.43Å; W275-L330 WeakPolarHBondContact O-CD2 3.35Å; L278-L330 HydrophobicContact CB-CD1 4.43Å; L278-L330 HydrophobicContact CD2-CD1 4.21Å; L278-L330 HydrophobicContact CG-CD1 4.1Å; I282-L330 HydrophobicContact CD1-CD1 4.15Å; F326-L330 HydrophobicContact CD1-CD1 3.93Å; F326-L330 HydrophobicContact CE1-CD1 3.54Å; F326-L330 HydrophobicContact CE1-CG 4.41Å; F326-L330 HydrophobicContact CZ-CD1 3.87Å; F326-L330 HydrophobicContact CZ-CD2 4.48Å; F326-L330 HydrophobicContact CZ-CG 4.43Å; F326-L330 WeakPolarHBondContact O-CG 3.26Å; F326-L330 PolarHBondContact O-N 2.91Å; F326-L330 VanDerWaalsContact O-N 3.09Å; M327-L330 PolarHBondContact O-N 3.04Å; L330-C332 PolarHBondContact O-N 2.76Å; L330-C332 VanDerWaalsContact O-N 3.08Å; L330-R337 WeakPolarHBondContact O-CD 3.48Å; L330-R337 VanDerWaalsContact O-CG 3.32Å; L330-R337 WeakPolarHBondContact O-CG 3.47Å; L330-R337 PolarHBondContact O-NE 3.16Å; L330-R337 VanDerWaalsContact O-NE 3.11Å; L330-L338 HydrophobicContact CD2-CB 4.01Å |
| 331 | L | 96.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -87.5 | 45.7 | -176.2 | -60.5 | -178.4 | 0 | 0 | 0 | 113.3 | W276 V280 P291 F292 H307 L311 M327 | W276-L331 HydrophobicContact CD2-CD2 3.97Å; W276-L331 HydrophobicContact CE3-CD2 4.17Å; W276-L331 HydrophobicContact CG-CD2 4.45Å; W276-L331 HydrophobicContact CH2-CD2 4.5Å; W276-L331 HydrophobicContact CZ2-CD2 4.31Å; W276-L331 VanDerWaalsContact CZ3-C 3.45Å; W276-L331 HydrophobicContact CZ3-CB 4.38Å; W276-L331 HydrophobicContact CZ3-CD2 4.44Å; V280-L331 HydrophobicContact CG2-CD2 3.78Å; P291-L331 HydrophobicContact CB-CD1 4.42Å; P291-L331 HydrophobicContact CG-CD1 4.05Å; F292-L331 HydrophobicContact CE2-CD2 4.17Å; H307-L331 PolarHBondContact CD2-O 2.69Å; H307-L331 VanDerWaalsContact CD2-O 3.3Å; L311-L331 HydrophobicContact CD1-CD1 3.78Å; L311-L331 HydrophobicContact CD2-CB 3.85Å; L311-L331 HydrophobicContact CD2-CD1 4.17Å; M327-L331 WeakPolarHBondContact O-CB 3.31Å; M327-L331 WeakPolarHBondContact O-CG 3.34Å; M327-L331 PolarHBondContact O-N 3.35Å |
| 332 | C | 94.1 | Very high | 88.7 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -128.4 | 176.8 | 176.5 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | L330 R337 | L330-C332 PolarHBondContact O-N 2.76Å; L330-C332 VanDerWaalsContact O-N 3.08Å; C332-R337 PolarHBondContact O-NE 3.08Å; C332-R337 VanDerWaalsContact O-NE 3.08Å; C332-R337 PolarHBondContact O-NH2 2.67Å; C332-R337 VanDerWaalsContact SG-CA 3.54Å |
| 333 | D | 90.7 | Very high | 86.7 | Confident | 88 Ų | 88 | 54.9 Ų | 54.9 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | trans | -53.8 | 137.5 | 173.1 | -76.9 | -47.5 | 0 | 0 | 0 | 112.2 | H307 T335 Q336 R337 | H307-D333 IonicContact CE1-OD1 2.9Å; H307-D333 PolarHBondContact CE1-OD1 3.32Å; H307-D333 PolarHBondContact NE2-N 3.26Å; H307-D333 IonicContact NE2-OD1 3.84Å; D333-T335 PolarHBondContact O-N 2.73Å; D333-Q336 PolarHBondContact O-N 3.38Å; D333-R337 PolarHBondContact O-N 2.32Å | ||
| 334 | R | 89.3 | Confident | 85 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 28% | 0.275 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -27.8 | -172.6 | 71.1 | -178.2 | -68.5 | -144.7 | -3.5 | 115.4 | E257 S268 E272 Q336 S340 | E257-R334 HydrophobicContact CG-CB 4.28Å; S268-R334 PolarHBondContact O-NH1 3.09Å; S268-R334 PolarHBondContact O-NH2 2.87Å; E272-R334 HydrophobicContact CG-CB 3.92Å; E272-R334 IonicContact OE1-CZ 2.69Å; E272-R334 IonicContact OE1-NE 3.75Å; E272-R334 PolarHBondContact OE1-NE 3.42Å; E272-R334 IonicContact OE1-NH2 2.67Å; E272-R334 PolarHBondContact OE1-NH2 2.38Å; R334-Q336 VanDerWaalsContact C-N 3.32Å; R334-S340 WeakPolarHBondContact O-CB 3.45Å; R334-S340 PolarHBondContact O-OG 3.49Å |
| 335 | T | 85.3 | Confident | 84.1 | Confident | 100 Ų | 100 | 57.5 Ų | 57.5 | 61% | 0.613 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -12.3 | -177 | 53 | 0 | 0 | 0 | 0 | 113.8 | D333 | D333-T335 PolarHBondContact O-N 2.73Š|
| 336 | Q | 88.3 | Confident | 83.2 | Confident | 156 Ų | 156 | 57.9 Ų | 57.9 | 73% | 0.729 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | 0.9 | 176.5 | -60.2 | -68.4 | -98.6 | 0 | 0 | 112.1 | D333 R334 | D333-Q336 PolarHBondContact O-N 3.38Å; R334-Q336 VanDerWaalsContact C-N 3.32Å |
| 337 | R | 92.7 | Very high | 82.5 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.011 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -70 | 140.4 | -177.8 | -162.8 | 177.7 | -58.7 | 142.4 | 4.8 | 111.1 | E257 E272 K329 L330 C332 D333 G339 S340 | E257-R337 IonicContact OE1-CZ 3.15Å; E257-R337 IonicContact OE1-NH1 2.76Å; E257-R337 PolarHBondContact OE1-NH1 3.43Å; E257-R337 IonicContact OE1-NH2 3.93Å; E257-R337 PolarHBondContact OE1-NH2 2.74Å; E257-R337 IonicContact OE2-CZ 3.27Å; E257-R337 IonicContact OE2-NH1 3.51Å; E257-R337 IonicContact OE2-NH2 3.55Å; E257-R337 PolarHBondContact OE2-NH2 2.58Å; E272-R337 WeakPolarHBondContact O-CD 3.49Å; E272-R337 PolarHBondContact O-NH1 2.67Å; K329-R337 WeakPolarHBondContact O-CA 3.19Å; K329-R337 WeakPolarHBondContact O-CG 3.41Å; L330-R337 WeakPolarHBondContact O-CD 3.48Å; L330-R337 VanDerWaalsContact O-CG 3.32Å; L330-R337 WeakPolarHBondContact O-CG 3.47Å; L330-R337 PolarHBondContact O-NE 3.16Å; L330-R337 VanDerWaalsContact O-NE 3.11Å; C332-R337 PolarHBondContact O-NE 3.08Å; C332-R337 VanDerWaalsContact O-NE 3.08Å; C332-R337 PolarHBondContact O-NH2 2.67Å; C332-R337 VanDerWaalsContact SG-CA 3.54Å; D333-R337 PolarHBondContact O-N 2.32Å; R337-G339 PolarHBondContact O-N 2.97Å; R337-S340 WeakPolarHBondContact O-CB 3.06Å; R337-S340 PolarHBondContact O-N 3.31Å; R337-S340 PolarHBondContact O-OG 2.3Å |
| 338 | L | 89.5 | Confident | 82 | Confident | 16 Ų | 16 | 62 Ų | 62 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 137.4 | 174.7 | -150.8 | 65.8 | 0 | 0 | 0 | 110.1 | F326 K329 L330 S340 E347 V348 | F326-L338 HydrophobicContact CD2-CD2 3.84Å; F326-L338 HydrophobicContact CE2-CD2 3.48Å; F326-L338 VanDerWaalsContact CE2-CD2 3.48Å; K329-L338 HydrophobicContact CB-CB 4.3Å; K329-L338 PolarHBondContact O-N 2.5Å; L330-L338 HydrophobicContact CD2-CB 4.01Å; L338-S340 VanDerWaalsContact C-N 3.28Å; L338-S340 PolarHBondContact O-N 2.62Å; L338-E347 HydrophobicContact CD1-CB 3.72Å; L338-E347 HydrophobicContact CG-CB 4.3Å; L338-V348 HydrophobicContact CD2-CB 4.46Å; L338-V348 HydrophobicContact CD2-CG2 4.23Å; L338-V348 HydrophobicContact CG-CG2 3.99Å |
| 339 | G | 83.4 | Confident | 81.4 | Confident | 11 Ų | 11 | 60 Ų | 60 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 9.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | W275 R337 Q341 | W275-G339 PolarHBondContact NE1-O 3.25Å; R337-G339 PolarHBondContact O-N 2.97Å; G339-Q341 PolarHBondContact O-N 3.36Å |
| 340 | S | 75.8 | Confident | 81.1 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | trans | -78.4 | -9.2 | -179.7 | 60.3 | 0 | 0 | 0 | 0 | 116.2 | R334 R337 L338 | R334-S340 WeakPolarHBondContact O-CB 3.45Å; R334-S340 PolarHBondContact O-OG 3.49Å; R337-S340 WeakPolarHBondContact O-CB 3.06Å; R337-S340 PolarHBondContact O-N 3.31Å; R337-S340 PolarHBondContact O-OG 2.3Å; L338-S340 VanDerWaalsContact C-N 3.28Å; L338-S340 PolarHBondContact O-N 2.62Å | ||
| 341 | Q | 65.2 | Low | 81 | Confident | 118 Ų | 118 | 62.5 Ų | 62.5 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -111.1 | 141.3 | -179.4 | -58.5 | 178.9 | 39.7 | 0 | 0 | 110.1 | G339 H343 C344 | G339-Q341 PolarHBondContact O-N 3.36Å; Q341-H343 PolarHBondContact O-N 2.77Å; Q341-C344 HydrophobicContact CB-CB 4Å; Q341-C344 PolarHBondContact O-N 3.12Å |
| 342 | A | 56.4 | Low | 80.8 | Confident | 93 Ų | 93 | 65.7 Ų | 65.7 | 77% | 0.769 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -0.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 343 | H | 51.7 | Low | 80.8 | Confident | 174 Ų | 174 | 64.5 Ų | 64.5 | 81% | 0.806 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | -0 | 176.3 | -57.8 | -29.7 | 0 | 0 | 0 | 113.3 | Q341 L345 | Q341-H343 PolarHBondContact O-N 2.77Å; H343-L345 PolarHBondContact O-N 3.25Å |
| 344 | C | 59.6 | Low | 80.8 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 20.6 | -166.8 | -71.6 | 0 | 0 | 0 | 0 | 114.4 | Q341 S346 E347 | Q341-C344 HydrophobicContact CB-CB 4Å; Q341-C344 PolarHBondContact O-N 3.12Å; C344-S346 PolarHBondContact O-N 3.24Å; C344-E347 VanDerWaalsContact CB-CD 3.46Å; C344-E347 HydrophobicContact CB-CG 3.88Å; C344-E347 VanDerWaalsContact O-CB 3.31Å; C344-E347 WeakPolarHBondContact O-CB 3.23Å; C344-E347 PolarHBondContact O-N 3.28Å; C344-E347 VanDerWaalsContact SG-CD 3.58Å; C344-E347 PolarHBondContact SG-OE1 3.17Å |
| 345 | L | 74.3 | Confident | 80.7 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 34% | 0.335 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.3 | -30.8 | 172.4 | -164 | 73.1 | 0 | 0 | 0 | 112.2 | I199 W275 H343 E347 V348 Y349 | I199-L345 HydrophobicContact CB-CD2 4.48Å; I199-L345 HydrophobicContact CD1-CD1 3.76Å; I199-L345 HydrophobicContact CD1-CD2 3.84Å; I199-L345 HydrophobicContact CD1-CG 3.83Å; I199-L345 HydrophobicContact CG1-CD1 3.55Å; I199-L345 HydrophobicContact CG1-CD2 3.83Å; I199-L345 HydrophobicContact CG1-CG 4.02Å; I199-L345 HydrophobicContact CG2-CD2 3.89Å; W275-L345 HydrophobicContact CH2-CD1 4.22Å; W275-L345 HydrophobicContact CZ2-CD1 3.68Å; H343-L345 PolarHBondContact O-N 3.25Å; L345-E347 PolarHBondContact O-N 3.33Å; L345-V348 PolarHBondContact O-N 3.08Å; L345-Y349 HydrophobicContact CD2-CE2 4.15Å; L345-Y349 HydrophobicContact CG-CD2 4.46Å; L345-Y349 HydrophobicContact CG-CE2 4.23Å; L345-Y349 WeakPolarHBondContact O-CD2 3.25Å; L345-Y349 PolarHBondContact O-N 3.08Å |
| 346 | S | 76.1 | Confident | 80.4 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 43% | 0.427 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -24.2 | 171.6 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | C344 N350 | C344-S346 PolarHBondContact O-N 3.24Å; S346-N350 VanDerWaalsContact O-CB 3.26Å; S346-N350 WeakPolarHBondContact O-CB 3.5Å; S346-N350 PolarHBondContact O-N 3.09Å; S346-N350 PolarHBondContact O-ND2 3.5Å |
| 347 | E | 81.7 | Confident | 80.1 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -74.6 | -30 | 178.2 | -57.3 | 179.9 | 170.5 | 0 | 0 | 112.1 | L338 C344 L345 | L338-E347 HydrophobicContact CD1-CB 3.72Å; L338-E347 HydrophobicContact CG-CB 4.3Å; C344-E347 VanDerWaalsContact CB-CD 3.46Å; C344-E347 HydrophobicContact CB-CG 3.88Å; C344-E347 VanDerWaalsContact O-CB 3.31Å; C344-E347 WeakPolarHBondContact O-CB 3.23Å; C344-E347 PolarHBondContact O-N 3.28Å; C344-E347 VanDerWaalsContact SG-CD 3.58Å; C344-E347 PolarHBondContact SG-OE1 3.17Å; L345-E347 PolarHBondContact O-N 3.33Å |
| 348 | V | 86.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.2 | -50.5 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | I195 W275 F326 L338 L345 N350 H351 | I195-V348 HydrophobicContact CD1-CG1 3.84Å; I195-V348 HydrophobicContact CG1-CG1 3.97Å; I195-V348 HydrophobicContact CG2-CG1 3.93Å; W275-V348 HydrophobicContact CZ3-CG1 4.21Å; F326-V348 HydrophobicContact CE2-CG1 4.35Å; F326-V348 HydrophobicContact CZ-CG1 4.23Å; L338-V348 HydrophobicContact CD2-CB 4.46Å; L338-V348 HydrophobicContact CD2-CG2 4.23Å; L338-V348 HydrophobicContact CG-CG2 3.99Å; L345-V348 PolarHBondContact O-N 3.08Å; V348-N350 PolarHBondContact O-N 3.49Å; V348-H351 PolarHBondContact O-N 3.27Å |
| 349 | Y | 83.5 | Confident | 79.2 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 179.2 | -79.6 | -59.6 | 0 | 0 | 0 | 114.3 | I195 L196 I199 L345 H351 W380 | I195-Y349 HydrophobicContact CG2-CE1 4.36Å; L196-Y349 HydrophobicContact CD2-CE1 3.86Å; L196-Y349 WeakPolarHBondContact CD2-OH 3.27Å; I199-Y349 HydrophobicContact CD1-CD2 4.3Å; I199-Y349 HydrophobicContact CD1-CE1 3.97Å; I199-Y349 HydrophobicContact CD1-CE2 3.47Å; I199-Y349 VanDerWaalsContact CD1-CE2 3.47Å; I199-Y349 VanDerWaalsContact CD1-OH 3.27Å; I199-Y349 WeakPolarHBondContact CD1-OH 3.05Å; L345-Y349 HydrophobicContact CD2-CE2 4.15Å; L345-Y349 HydrophobicContact CG-CD2 4.46Å; L345-Y349 HydrophobicContact CG-CE2 4.23Å; L345-Y349 WeakPolarHBondContact O-CD2 3.25Å; L345-Y349 PolarHBondContact O-N 3.08Å; Y349-H351 VanDerWaalsContact C-N 3.28Å; Y349-H351 PolarHBondContact O-N 3.28Å; Y349-W380 AromaticContact CD1-CD2 3.57Å; Y349-W380 HydrophobicContact CD1-CD2 3.57Å; Y349-W380 AromaticContact CD1-CE2 3.64Å; Y349-W380 AromaticContact CD1-CE3 3.7Å; Y349-W380 HydrophobicContact CD1-CE3 3.7Å; Y349-W380 HydrophobicContact CD1-CG 4.11Å; Y349-W380 AromaticContact CD1-CH2 3.97Å; Y349-W380 HydrophobicContact CD1-CH2 3.97Å; Y349-W380 AromaticContact CD1-CZ2 3.84Å; Y349-W380 HydrophobicContact CD1-CZ2 3.84Å; Y349-W380 AromaticContact CD1-CZ3 3.89Å; Y349-W380 HydrophobicContact CD1-CZ3 3.89Å; Y349-W380 AromaticContact CE1-CD2 3.9Å; Y349-W380 HydrophobicContact CE1-CD2 3.9Å; Y349-W380 AromaticContact CE1-CE3 3.67Å; Y349-W380 HydrophobicContact CE1-CE3 3.67Å; Y349-W380 HydrophobicContact CE1-CG 4.38Å; Y349-W380 AromaticContact CE1-CZ3 3.99Å; Y349-W380 HydrophobicContact CE1-CZ3 3.99Å; Y349-W380 WeakPolarHBondContact O-CZ2 3.49Å; Y349-W380 PolarHBondContact O-NE1 3.2Å |
| 350 | N | 87.4 | Confident | 78.9 | Confident | 126 Ų | 126 | 61.2 Ų | 61.2 | 67% | 0.674 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 14.8 | -175.4 | -64.8 | -57.9 | 0 | 0 | 0 | 113.1 | S346 V348 | S346-N350 VanDerWaalsContact O-CB 3.26Å; S346-N350 WeakPolarHBondContact O-CB 3.5Å; S346-N350 PolarHBondContact O-N 3.09Å; S346-N350 PolarHBondContact O-ND2 3.5Å; V348-N350 PolarHBondContact O-N 3.49Å |
| 351 | H | 92.6 | Very high | 79 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 3% | 0.032 | 34% | 0.336 | C | S | . | . | trans | -66.7 | 134.5 | 177.6 | -166.1 | -83.1 | 0 | 0 | 0 | 110.7 | T322 D325 F326 K329 V348 Y349 W353 F354 | T322-H351 PolarHBondContact O-CE1 2.99Å; D325-H351 IonicContact OD1-NE2 3.72Å; D325-H351 IonicContact OD2-CE1 2.78Å; D325-H351 PolarHBondContact OD2-CE1 3.31Å; D325-H351 IonicContact OD2-NE2 3.8Å; D325-H351 PolarHBondContact OD2-NE2 3.07Å; F326-H351 HydrophobicContact CD2-CB 3.83Å; F326-H351 AromaticContact CD2-CD2 3.76Å; F326-H351 AromaticContact CD2-CG 3.44Å; F326-H351 VanDerWaalsContact CD2-CG 3.44Å; F326-H351 AromaticContact CD2-ND1 3.71Å; F326-H351 HydrophobicContact CE2-CB 4.04Å; F326-H351 PolarHBondContact N-CE1 3.27Å; K329-H351 WeakPolarHBondContact CD-NE2 3.24Å; K329-H351 WeakPolarHBondContact CE-NE2 3.27Å; K329-H351 PolarHBondContact NZ-NE2 3.18Å; V348-H351 PolarHBondContact O-N 3.27Å; Y349-H351 VanDerWaalsContact C-N 3.28Å; Y349-H351 PolarHBondContact O-N 3.28Å; H351-W353 PolarHBondContact ND1-N 3.05Å; H351-W353 PolarHBondContact O-N 3.24Å; H351-F354 HydrophobicContact CB-CD2 4.28Å; H351-F354 PolarHBondContact O-N 3.11Å | ||
| 352 | P | 92.6 | Very high | 79.5 | Confident | 71 Ų | 71 | 57 Ų | 57 | 46% | 0.461 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -52.5 | -27.9 | -175.4 | -31.7 | 36.8 | 0 | 0 | 0 | 115.8 | T322 F354 S355 | T322-P352 HydrophobicContact CG2-CB 4.02Å; P352-F354 PolarHBondContact O-N 2.83Å; P352-S355 WeakPolarHBondContact O-CB 3.09Å; P352-S355 PolarHBondContact O-N 2.71Å; P352-S355 VanDerWaalsContact O-N 3.08Å |
| 353 | W | 93.8 | Very high | 80.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -59.5 | -33.4 | 176 | -173.4 | 43.1 | 0 | 0 | 0 | 113 | E184 R188 A191 I282 C323 F326 H351 W358 | E184-W353 HydrophobicContact CG-CZ2 4.16Å; E184-W353 PolarHBondContact OE1-NE1 3.01Å; R188-W353 HydrophobicContact CB-CH2 4.21Å; R188-W353 HydrophobicContact CB-CZ2 3.62Å; R188-W353 WeakPolarHBondContact CD-O 3.45Å; R188-W353 HydrophobicContact CG-CD2 4.39Å; R188-W353 HydrophobicContact CG-CZ2 4.26Å; R188-W353 PolarHBondContact NE-O 2.68Å; A191-W353 HydrophobicContact CB-CH2 3.83Å; A191-W353 HydrophobicContact CB-CZ3 3.72Å; I282-W353 HydrophobicContact CD1-CH2 4.38Å; I282-W353 HydrophobicContact CD1-CZ3 3.97Å; I282-W353 HydrophobicContact CG1-CH2 4.49Å; I282-W353 HydrophobicContact CG2-CH2 3.98Å; I282-W353 HydrophobicContact CG2-CZ3 4.39Å; C323-W353 HydrophobicContact CB-CD2 4.12Å; C323-W353 HydrophobicContact CB-CG 4.13Å; C323-W353 HydrophobicContact CB-CZ2 4.21Å; C323-W353 WeakPolarHBondContact SG-CZ2 3.18Å; F326-W353 HydrophobicContact CB-CB 4.5Å; F326-W353 HydrophobicContact CB-CE3 4.2Å; F326-W353 AromaticContact CD1-CE3 3.45Å; F326-W353 HydrophobicContact CD1-CE3 3.45Å; F326-W353 VanDerWaalsContact CD1-CE3 3.45Å; F326-W353 AromaticContact CD1-CZ3 3.58Å; F326-W353 HydrophobicContact CD1-CZ3 3.58Å; F326-W353 AromaticContact CE1-CE3 3.99Å; F326-W353 HydrophobicContact CE1-CE3 3.99Å; F326-W353 AromaticContact CE1-CZ3 3.89Å; F326-W353 HydrophobicContact CE1-CZ3 3.89Å; F326-W353 AromaticContact CG-CE3 3.94Å; F326-W353 HydrophobicContact CG-CE3 3.94Å; F326-W353 HydrophobicContact CG-CZ3 4.49Å; H351-W353 PolarHBondContact ND1-N 3.05Å; H351-W353 PolarHBondContact O-N 3.24Å; W353-W358 AromaticContact CD1-CD1 3.74Å; W353-W358 AromaticContact CD1-NE1 3.52Å; W353-W358 AromaticContact NE1-NE1 3.75Å |
| 354 | F | 92.4 | Very high | 81.1 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -88 | -5.9 | 177.2 | -59.2 | -60.1 | 0 | 0 | 0 | 113.7 | R188 A191 A192 I195 F326 H351 P352 W378 W380 | R188-F354 HydrophobicContact CG-CD1 3.97Å; R188-F354 HydrophobicContact CG-CE1 4.21Å; R188-F354 PolarHBondContact NH2-O 2.65Å; R188-F354 VanDerWaalsContact NH2-O 3.08Å; A191-F354 HydrophobicContact CB-CE1 4.24Å; A191-F354 HydrophobicContact CB-CZ 4.23Å; A192-F354 HydrophobicContact CB-CD1 4.32Å; A192-F354 HydrophobicContact CB-CE1 4.1Å; I195-F354 HydrophobicContact CD1-CE1 4.34Å; I195-F354 HydrophobicContact CD1-CE2 3.46Å; I195-F354 VanDerWaalsContact CD1-CE2 3.46Å; I195-F354 HydrophobicContact CD1-CZ 3.35Å; F326-F354 HydrophobicContact CD1-CE2 4.48Å; F326-F354 HydrophobicContact CD1-CZ 4.43Å; F326-F354 HydrophobicContact CD2-CE2 4.37Å; F326-F354 AromaticContact CE1-CE2 3.88Å; F326-F354 HydrophobicContact CE1-CE2 3.88Å; F326-F354 AromaticContact CE1-CZ 3.81Å; F326-F354 HydrophobicContact CE1-CZ 3.81Å; F326-F354 AromaticContact CE2-CE2 3.74Å; F326-F354 HydrophobicContact CE2-CE2 3.74Å; F326-F354 AromaticContact CZ-CE2 3.49Å; F326-F354 HydrophobicContact CZ-CE2 3.49Å; F326-F354 VanDerWaalsContact CZ-CE2 3.49Å; F326-F354 AromaticContact CZ-CZ 3.87Å; F326-F354 HydrophobicContact CZ-CZ 3.87Å; H351-F354 HydrophobicContact CB-CD2 4.28Å; H351-F354 PolarHBondContact O-N 3.11Å; P352-F354 PolarHBondContact O-N 2.83Å; F354-W378 HydrophobicContact CB-CH2 4.48Å; F354-W378 AromaticContact CD1-CH2 3.85Å; F354-W378 HydrophobicContact CD1-CH2 3.85Å; F354-W378 HydrophobicContact CD1-CZ2 4.36Å; F354-W380 HydrophobicContact CB-CH2 4.37Å; F354-W380 HydrophobicContact CB-CZ2 3.53Å; F354-W380 HydrophobicContact CD1-CH2 4.12Å; F354-W380 HydrophobicContact CD1-CZ2 4.11Å; F354-W380 AromaticContact CD2-CH2 3.84Å; F354-W380 HydrophobicContact CD2-CH2 3.84Å; F354-W380 AromaticContact CD2-CZ2 3.57Å; F354-W380 HydrophobicContact CD2-CZ2 3.57Å; F354-W380 HydrophobicContact CE1-CH2 4.37Å; F354-W380 HydrophobicContact CE2-CH2 4.09Å; F354-W380 HydrophobicContact CE2-CZ2 4.28Å; F354-W380 AromaticContact CG-CH2 3.85Å; F354-W380 HydrophobicContact CG-CH2 3.85Å; F354-W380 AromaticContact CG-CZ2 3.46Å; F354-W380 HydrophobicContact CG-CZ2 3.46Å; F354-W380 VanDerWaalsContact CG-CZ2 3.46Å; F354-W380 HydrophobicContact CZ-CH2 4.35Å |
| 355 | S | 86.1 | Confident | 81.5 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -62.6 | 152.6 | 176.9 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | R188 P352 D357 W358 | R188-S355 PolarHBondContact NH2-O 3.24Å; R188-S355 VanDerWaalsContact NH2-O 3.17Å; P352-S355 WeakPolarHBondContact O-CB 3.09Å; P352-S355 PolarHBondContact O-N 2.71Å; P352-S355 VanDerWaalsContact O-N 3.08Å; S355-D357 PolarHBondContact O-N 2.74Å; S355-D357 VanDerWaalsContact OG-CG 3.32Å; S355-D357 PolarHBondContact OG-N 2.8Å; S355-D357 PolarHBondContact OG-OD2 3.18Å; S355-W358 WeakPolarHBondContact O-CB 3.47Å; S355-W358 PolarHBondContact O-N 2.93Å |
| 356 | I | 80 | Confident | 81.2 | Confident | 88 Ų | 88 | 58.2 Ų | 58.2 | 45% | 0.451 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -26.5 | 168.6 | -62.1 | 172.4 | 0 | 0 | 0 | 110.3 | W358 I359 | I356-W358 PolarHBondContact O-N 2.8Å; I356-I359 HydrophobicContact CG2-CD1 4.39Å; I356-I359 WeakPolarHBondContact O-CB 3.17Å; I356-I359 PolarHBondContact O-N 2.93Å; I356-I359 VanDerWaalsContact O-N 3.11Å |
| 357 | D | 80.2 | Confident | 80.8 | Confident | 105 Ų | 105 | 60 Ų | 60 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.4 | -27.9 | 176.8 | -49.7 | -54.2 | 0 | 0 | 0 | 112.9 | S355 I359 Q360 S361 | S355-D357 PolarHBondContact O-N 2.74Å; S355-D357 VanDerWaalsContact OG-CG 3.32Å; S355-D357 PolarHBondContact OG-N 2.8Å; S355-D357 PolarHBondContact OG-OD2 3.18Å; D357-I359 VanDerWaalsContact C-N 3.3Å; D357-I359 PolarHBondContact O-N 3.27Å; D357-Q360 PolarHBondContact O-N 1.87Å; D357-S361 PolarHBondContact O-N 3.49Å |
| 358 | W | 86 | Confident | 80.1 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 2% | 0.023 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -38.2 | 175.3 | 176.6 | 91.5 | 0 | 0 | 0 | 111.8 | E184 A185 S320 W353 S355 I356 Q360 S361 Q362 L368 A376 | E184-W358 HydrophobicContact CB-CZ2 4.01Å; E184-W358 HydrophobicContact CG-CZ2 3.74Å; E184-W358 WeakPolarHBondContact OE1-CZ2 3.17Å; E184-W358 PolarHBondContact OE1-NE1 3.32Å; A185-W358 HydrophobicContact CB-CH2 4.01Å; A185-W358 HydrophobicContact CB-CZ3 4.45Å; S320-W358 PolarHBondContact OG-NE1 3.43Å; W353-W358 AromaticContact CD1-CD1 3.74Å; W353-W358 AromaticContact CD1-NE1 3.52Å; W353-W358 AromaticContact NE1-NE1 3.75Å; S355-W358 WeakPolarHBondContact O-CB 3.47Å; S355-W358 PolarHBondContact O-N 2.93Å; I356-W358 PolarHBondContact O-N 2.8Å; W358-Q360 PolarHBondContact O-N 3.48Å; W358-S361 PolarHBondContact O-N 3.03Å; W358-S361 PolarHBondContact O-OG 2.84Å; W358-S361 VanDerWaalsContact O-OG 3.07Å; W358-Q362 HydrophobicContact CD2-CG 4Å; W358-Q362 HydrophobicContact CG-CG 4.38Å; W358-Q362 HydrophobicContact CH2-CG 4.42Å; W358-Q362 HydrophobicContact CZ2-CG 3.82Å; W358-Q362 WeakPolarHBondContact O-CG 3.35Å; W358-Q362 PolarHBondContact O-N 3.44Å; W358-L368 HydrophobicContact CH2-CD2 3.7Å; W358-L368 HydrophobicContact CZ3-CD1 4.33Å; W358-L368 HydrophobicContact CZ3-CD2 4.1Å; W358-A376 HydrophobicContact CZ3-CB 3.96Å |
| 359 | I | 79.1 | Confident | 79.3 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.062 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 177 | -46.5 | 175.5 | 0 | 0 | 0 | 109.6 | I356 D357 Q363 L368 A376 | I356-I359 HydrophobicContact CG2-CD1 4.39Å; I356-I359 WeakPolarHBondContact O-CB 3.17Å; I356-I359 PolarHBondContact O-N 2.93Å; I356-I359 VanDerWaalsContact O-N 3.11Å; D357-I359 VanDerWaalsContact C-N 3.3Å; D357-I359 PolarHBondContact O-N 3.27Å; I359-Q363 WeakPolarHBondContact O-CB 2.98Å; I359-Q363 WeakPolarHBondContact O-CG 3.34Å; I359-Q363 PolarHBondContact O-N 2.84Å; I359-Q363 VanDerWaalsContact O-N 3.1Å; I359-L368 HydrophobicContact CG2-CD1 4.35Å; I359-A376 HydrophobicContact CD1-CB 4.43Å; I359-A376 VanDerWaalsContact CD1-O 3.24Å; I359-A376 WeakPolarHBondContact CD1-O 3.33Å; I359-A376 HydrophobicContact CG1-CB 4.24Å; I359-A376 HydrophobicContact CG2-CB 4.37Å |
| 360 | Q | 75.8 | Confident | 78.6 | Confident | 117 Ų | 117 | 63.6 Ų | 63.6 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.5 | -42.3 | 179.6 | -59.1 | -179.2 | 33.1 | 0 | 0 | 111.9 | D357 W358 Q363 T364 | D357-Q360 PolarHBondContact O-N 1.87Å; W358-Q360 PolarHBondContact O-N 3.48Å; Q360-Q363 PolarHBondContact O-N 3.41Å; Q360-T364 PolarHBondContact O-N 2.62Å; Q360-T364 PolarHBondContact O-OG1 3.27Å |
| 361 | S | 77.7 | Confident | 78 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.7 | -48.5 | 178.5 | 68.7 | 0 | 0 | 0 | 0 | 111.7 | D357 W358 Q363 T364 D365 | D357-S361 PolarHBondContact O-N 3.49Å; W358-S361 PolarHBondContact O-N 3.03Å; W358-S361 PolarHBondContact O-OG 2.84Å; W358-S361 VanDerWaalsContact O-OG 3.07Å; S361-Q363 VanDerWaalsContact C-N 3.28Å; S361-Q363 PolarHBondContact O-N 3.49Å; S361-T364 WeakPolarHBondContact CA-OG1 3.44Å; S361-T364 PolarHBondContact O-N 2.92Å; S361-T364 PolarHBondContact O-OG1 3.04Å; S361-D365 PolarHBondContact O-N 3.26Å |
| 362 | Q | 75.5 | Confident | 77.2 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.3 | -24.9 | -179.3 | -58.5 | -51.1 | -77.3 | 0 | 0 | 113 | W358 G366 H367 L368 | W358-Q362 HydrophobicContact CD2-CG 4Å; W358-Q362 HydrophobicContact CG-CG 4.38Å; W358-Q362 HydrophobicContact CH2-CG 4.42Å; W358-Q362 HydrophobicContact CZ2-CG 3.82Å; W358-Q362 WeakPolarHBondContact O-CG 3.35Å; W358-Q362 PolarHBondContact O-N 3.44Å; Q362-G366 PolarHBondContact O-N 3.38Å; Q362-H367 PolarHBondContact O-N 3.31Å; Q362-L368 HydrophobicContact CB-CD1 3.69Å; Q362-L368 HydrophobicContact CB-CD2 4.31Å; Q362-L368 HydrophobicContact CB-CG 3.63Å |
| 363 | Q | 71 | Confident | 76.4 | Confident | 92 Ų | 92 | 63.1 Ų | 63.1 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 165.6 | -79 | 177.4 | 14.2 | 0 | 0 | 112.3 | I359 Q360 S361 D365 G366 L368 I373 | I359-Q363 WeakPolarHBondContact O-CB 2.98Å; I359-Q363 WeakPolarHBondContact O-CG 3.34Å; I359-Q363 PolarHBondContact O-N 2.84Å; I359-Q363 VanDerWaalsContact O-N 3.1Å; Q360-Q363 PolarHBondContact O-N 3.41Å; S361-Q363 VanDerWaalsContact C-N 3.28Å; S361-Q363 PolarHBondContact O-N 3.49Å; Q363-D365 VanDerWaalsContact C-N 3.34Å; Q363-G366 PolarHBondContact O-N 3.39Å; Q363-L368 HydrophobicContact CG-CD1 4.24Å; Q363-I373 HydrophobicContact CG-CD1 4Å; Q363-I373 HydrophobicContact CG-CG1 4.18Å |
| 364 | T | 70.6 | Confident | 75.6 | Confident | 119 Ų | 119 | 66.1 Ų | 66.1 | 73% | 0.73 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.8 | -31.9 | 177.3 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | Q360 S361 G366 | Q360-T364 PolarHBondContact O-N 2.62Å; Q360-T364 PolarHBondContact O-OG1 3.27Å; S361-T364 WeakPolarHBondContact CA-OG1 3.44Å; S361-T364 PolarHBondContact O-N 2.92Å; S361-T364 PolarHBondContact O-OG1 3.04Å; T364-G366 VanDerWaalsContact C-N 3.25Å; T364-G366 PolarHBondContact O-N 3.47Å |
| 365 | D | 69.6 | Low | 75.1 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.4 | 175.1 | -63.7 | -34.4 | 0 | 0 | 0 | 112.5 | S361 Q363 H367 | S361-D365 PolarHBondContact O-N 3.26Å; Q363-D365 VanDerWaalsContact C-N 3.34Å; D365-H367 VanDerWaalsContact C-N 3.3Å; D365-H367 PolarHBondContact O-N 2.97Å; D365-H367 PolarHBondContact O-ND1 3.3Å |
| 366 | G | 66.5 | Low | 74.9 | Confident | 62 Ų | 62 | 64.2 Ų | 64.2 | 64% | 0.639 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 26 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q362 Q363 T364 | Q362-G366 PolarHBondContact O-N 3.38Å; Q363-G366 PolarHBondContact O-N 3.39Å; T364-G366 VanDerWaalsContact C-N 3.25Å; T364-G366 PolarHBondContact O-N 3.47Å |
| 367 | H | 67.7 | Low | 75 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 46% | 0.458 | 37% | 0.372 | S | S | . | . | trans | -95.4 | -21.9 | -174 | -82.6 | 62.4 | 0 | 0 | 0 | 114.2 | N318 Q362 D365 | N318-H367 PolarHBondContact ND2-NE2 3.12Å; Q362-H367 PolarHBondContact O-N 3.31Å; D365-H367 VanDerWaalsContact C-N 3.3Å; D365-H367 PolarHBondContact O-N 2.97Å; D365-H367 PolarHBondContact O-ND1 3.3Å | ||
| 368 | L | 67 | Low | 75.5 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -86.6 | 134.6 | 170.7 | -61.5 | 168.2 | 0 | 0 | 0 | 110.6 | A185 W358 I359 Q362 Q363 D372 I373 | A185-L368 HydrophobicContact CB-CD2 3.99Å; W358-L368 HydrophobicContact CH2-CD2 3.7Å; W358-L368 HydrophobicContact CZ3-CD1 4.33Å; W358-L368 HydrophobicContact CZ3-CD2 4.1Å; I359-L368 HydrophobicContact CG2-CD1 4.35Å; Q362-L368 HydrophobicContact CB-CD1 3.69Å; Q362-L368 HydrophobicContact CB-CD2 4.31Å; Q362-L368 HydrophobicContact CB-CG 3.63Å; Q363-L368 HydrophobicContact CG-CD1 4.24Å; L368-D372 HydrophobicContact CB-CB 4.1Å; L368-D372 HydrophobicContact CD2-CB 3.77Å; L368-I373 HydrophobicContact CB-CD1 4.46Å; L368-I373 HydrophobicContact CB-CG1 3.82Å; L368-I373 HydrophobicContact CD1-CG1 4.17Å |
| 369 | D | 70 | Confident | 75.8 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | trans | -83.1 | 177.2 | 165.8 | 92.9 | -2.6 | 0 | 0 | 0 | 112.2 | M371 D372 I373 | D369-M371 PolarHBondContact O-N 2.79Å; D369-M371 VanDerWaalsContact OD1-CA 3.32Å; D369-M371 WeakPolarHBondContact OD1-CA 3.4Å; D369-M371 WeakPolarHBondContact OD1-CB 3.13Å; D369-M371 PolarHBondContact OD1-N 3.19Å; D369-D372 PolarHBondContact O-N 3.44Å; D369-D372 PolarHBondContact OD1-N 3.25Å; D369-I373 VanDerWaalsContact O-CG1 3.3Å; D369-I373 WeakPolarHBondContact O-CG1 3.07Å; D369-I373 PolarHBondContact O-N 2.87Å; D369-I373 VanDerWaalsContact O-N 3.07Å | ||
| 370 | S | 69.8 | Low | 76.3 | Confident | 107 Ų | 107 | 65.6 Ų | 65.6 | 75% | 0.748 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.8 | -178.6 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 371 | M | 72.9 | Confident | 77 | Confident | 103 Ų | 103 | 65.7 Ų | 65.7 | 51% | 0.507 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -45 | 175.5 | -177.6 | 154.7 | 160.1 | 0 | 0 | 110 | D369 I373 S374 I375 | D369-M371 PolarHBondContact O-N 2.79Å; D369-M371 VanDerWaalsContact OD1-CA 3.32Å; D369-M371 WeakPolarHBondContact OD1-CA 3.4Å; D369-M371 WeakPolarHBondContact OD1-CB 3.13Å; D369-M371 PolarHBondContact OD1-N 3.19Å; M371-I373 VanDerWaalsContact C-N 3.33Å; M371-I373 PolarHBondContact O-N 3.38Å; M371-S374 WeakPolarHBondContact O-CB 3.4Å; M371-S374 PolarHBondContact O-N 3.11Å; M371-S374 PolarHBondContact O-OG 3.35Å; M371-I375 PolarHBondContact O-N 2.77Å |
| 372 | D | 77.9 | Confident | 77.7 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 14% | 0.144 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.8 | -43.1 | 173.5 | -82 | -29.5 | 0 | 0 | 0 | 112.5 | S183 A185 L368 D369 S374 I375 A376 | S183-D372 WeakPolarHBondContact CB-OD1 3.31Å; S183-D372 PolarHBondContact OG-OD1 2.99Å; A185-D372 HydrophobicContact CB-CB 3.9Å; L368-D372 HydrophobicContact CB-CB 4.1Å; L368-D372 HydrophobicContact CD2-CB 3.77Å; D369-D372 PolarHBondContact O-N 3.44Å; D369-D372 PolarHBondContact OD1-N 3.25Å; D372-S374 PolarHBondContact O-N 2.89Å; D372-I375 WeakPolarHBondContact O-CG1 3.19Å; D372-I375 PolarHBondContact O-N 3.36Å; D372-A376 VanDerWaalsContact O-CB 3.31Å; D372-A376 WeakPolarHBondContact O-CB 3.27Å; D372-A376 PolarHBondContact O-N 3.34Å |
| 373 | I | 74.4 | Confident | 78.5 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 32% | 0.323 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.1 | -36.7 | 175.3 | -69.4 | 167.4 | 0 | 0 | 0 | 111.4 | Q363 L368 D369 M371 I375 | Q363-I373 HydrophobicContact CG-CD1 4Å; Q363-I373 HydrophobicContact CG-CG1 4.18Å; L368-I373 HydrophobicContact CB-CD1 4.46Å; L368-I373 HydrophobicContact CB-CG1 3.82Å; L368-I373 HydrophobicContact CD1-CG1 4.17Å; D369-I373 VanDerWaalsContact O-CG1 3.3Å; D369-I373 WeakPolarHBondContact O-CG1 3.07Å; D369-I373 PolarHBondContact O-N 2.87Å; D369-I373 VanDerWaalsContact O-N 3.07Å; M371-I373 VanDerWaalsContact C-N 3.33Å; M371-I373 PolarHBondContact O-N 3.38Å; I373-I375 VanDerWaalsContact C-N 3.34Å; I373-I375 PolarHBondContact O-N 2.91Å |
| 374 | S | 76.6 | Confident | 79.6 | Confident | 64 Ų | 64 | 64.5 Ų | 64.5 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -76.2 | -18.2 | -177.2 | 76.5 | 0 | 0 | 0 | 0 | 114.7 | M371 D372 | M371-S374 WeakPolarHBondContact O-CB 3.4Å; M371-S374 PolarHBondContact O-N 3.11Å; M371-S374 PolarHBondContact O-OG 3.35Å; D372-S374 PolarHBondContact O-N 2.89Å |
| 375 | I | 83.7 | Confident | 80.6 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.051 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -104.4 | -9.8 | 176.5 | 60.3 | 168.3 | 0 | 0 | 0 | 112.6 | A185 A186 M371 D372 I373 P389 | A185-I375 HydrophobicContact CB-CD1 4.13Å; A185-I375 HydrophobicContact CB-CG1 4.12Å; A186-I375 HydrophobicContact CB-CD1 3.93Å; M371-I375 PolarHBondContact O-N 2.77Å; D372-I375 WeakPolarHBondContact O-CG1 3.19Å; D372-I375 PolarHBondContact O-N 3.36Å; I373-I375 VanDerWaalsContact C-N 3.34Å; I373-I375 PolarHBondContact O-N 2.91Å; I375-P389 HydrophobicContact CB-CG 4.47Å; I375-P389 HydrophobicContact CD1-CB 3.86Å; I375-P389 HydrophobicContact CD1-CG 3.96Å |
| 376 | A | 80.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -84.6 | -24.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | A185 R188 W358 I359 D372 W378 | A185-A376 HydrophobicContact CB-CB 4.31Å; R188-A376 PolarHBondContact NH1-O 3.15Å; W358-A376 HydrophobicContact CZ3-CB 3.96Å; I359-A376 HydrophobicContact CD1-CB 4.43Å; I359-A376 VanDerWaalsContact CD1-O 3.24Å; I359-A376 WeakPolarHBondContact CD1-O 3.33Å; I359-A376 HydrophobicContact CG1-CB 4.24Å; I359-A376 HydrophobicContact CG2-CB 4.37Å; D372-A376 VanDerWaalsContact O-CB 3.31Å; D372-A376 WeakPolarHBondContact O-CB 3.27Å; D372-A376 PolarHBondContact O-N 3.34Å; A376-W378 PolarHBondContact O-N 3Å; A376-W378 VanDerWaalsContact O-N 3.12Å |
| 377 | D | 83.4 | Confident | 82.8 | Confident | 116 Ų | 116 | 63.2 Ų | 63.2 | 62% | 0.62 | 35% | 0.351 | S | S | * | . | trans | -82.4 | 81.2 | -176.2 | -170.1 | 22.4 | 0 | 0 | 0 | 112 | ||||
| 378 | W | 90.7 | Very high | 84 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | trans | -143.1 | 165.3 | 175.4 | 57.1 | -104.1 | 0 | 0 | 0 | 111.8 | R188 F189 A192 F354 A376 W380 I383 C386 | R188-W378 HydrophobicContact CG-CZ2 4.05Å; F189-W378 AromaticContact CD2-CD1 3.66Å; F189-W378 HydrophobicContact CD2-CG 4.5Å; F189-W378 AromaticContact CD2-NE1 3.71Å; A192-W378 HydrophobicContact CB-CH2 3.24Å; A192-W378 HydrophobicContact CB-CZ2 3.57Å; A192-W378 HydrophobicContact CB-CZ3 3.96Å; F354-W378 HydrophobicContact CB-CH2 4.48Å; F354-W378 AromaticContact CD1-CH2 3.85Å; F354-W378 HydrophobicContact CD1-CH2 3.85Å; F354-W378 HydrophobicContact CD1-CZ2 4.36Å; A376-W378 PolarHBondContact O-N 3Å; A376-W378 VanDerWaalsContact O-N 3.12Å; W378-W380 HydrophobicContact CZ3-CD2 4.18Å; W378-W380 HydrophobicContact CZ3-CE3 4.37Å; W378-I383 HydrophobicContact CB-CB 4.17Å; W378-I383 HydrophobicContact CB-CG1 4.22Å; W378-I383 HydrophobicContact CD2-CB 4.2Å; W378-I383 HydrophobicContact CD2-CD1 3.65Å; W378-I383 HydrophobicContact CD2-CG1 3.91Å; W378-I383 HydrophobicContact CE3-CB 4.09Å; W378-I383 HydrophobicContact CE3-CD1 3.85Å; W378-I383 HydrophobicContact CE3-CG1 4.22Å; W378-I383 HydrophobicContact CG-CB 4.24Å; W378-I383 HydrophobicContact CG-CD1 4.13Å; W378-I383 HydrophobicContact CG-CG1 3.9Å; W378-I383 HydrophobicContact CH2-CD1 4.27Å; W378-I383 HydrophobicContact CZ2-CD1 4.02Å; W378-I383 HydrophobicContact CZ3-CD1 4.18Å; W378-C386 HydrophobicContact CB-CB 4.26Å | ||
| 379 | T | 90.6 | Very high | 85.2 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 34% | 0.337 | 33% | 0.326 | S | S | . | . | trans | -127.8 | 156.8 | 171.8 | 72.4 | 0 | 0 | 0 | 0 | 109.9 | S381 N382 I383 | T379-S381 PolarHBondContact O-N 3.08Å; T379-S381 PolarHBondContact OG1-OG 3.11Å; T379-N382 WeakPolarHBondContact CA-OD1 3.49Å; T379-N382 WeakPolarHBondContact CB-OD1 3.31Å; T379-N382 PolarHBondContact N-OD1 2.65Å; T379-N382 PolarHBondContact O-N 3.21Å; T379-N382 PolarHBondContact O-OD1 3.02Å; T379-N382 VanDerWaalsContact O-OD1 3.05Å; T379-N382 PolarHBondContact OG1-OD1 3.01Å; T379-I383 PolarHBondContact O-N 2.62Å | ||
| 380 | W | 91 | Very high | 86.2 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 24% | 0.242 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -24.4 | -178.4 | -65.2 | 110.5 | 0 | 0 | 0 | 114.9 | A192 I195 L196 Y349 F354 W378 | A192-W380 HydrophobicContact CB-CE3 4.31Å; A192-W380 HydrophobicContact CB-CH2 3.91Å; A192-W380 HydrophobicContact CB-CZ3 3.6Å; I195-W380 HydrophobicContact CB-CH2 4.43Å; I195-W380 HydrophobicContact CB-CZ3 4.25Å; I195-W380 HydrophobicContact CD1-CH2 3.99Å; I195-W380 HydrophobicContact CG2-CH2 4.2Å; I195-W380 HydrophobicContact CG2-CZ3 4.08Å; L196-W380 HydrophobicContact CD1-CE3 4.22Å; L196-W380 HydrophobicContact CD2-CE3 4.23Å; L196-W380 HydrophobicContact CG-CE3 4.16Å; L196-W380 HydrophobicContact CG-CZ3 4.37Å; Y349-W380 AromaticContact CD1-CD2 3.57Å; Y349-W380 HydrophobicContact CD1-CD2 3.57Å; Y349-W380 AromaticContact CD1-CE2 3.64Å; Y349-W380 AromaticContact CD1-CE3 3.7Å; Y349-W380 HydrophobicContact CD1-CE3 3.7Å; Y349-W380 HydrophobicContact CD1-CG 4.11Å; Y349-W380 AromaticContact CD1-CH2 3.97Å; Y349-W380 HydrophobicContact CD1-CH2 3.97Å; Y349-W380 AromaticContact CD1-CZ2 3.84Å; Y349-W380 HydrophobicContact CD1-CZ2 3.84Å; Y349-W380 AromaticContact CD1-CZ3 3.89Å; Y349-W380 HydrophobicContact CD1-CZ3 3.89Å; Y349-W380 AromaticContact CE1-CD2 3.9Å; Y349-W380 HydrophobicContact CE1-CD2 3.9Å; Y349-W380 AromaticContact CE1-CE3 3.67Å; Y349-W380 HydrophobicContact CE1-CE3 3.67Å; Y349-W380 HydrophobicContact CE1-CG 4.38Å; Y349-W380 AromaticContact CE1-CZ3 3.99Å; Y349-W380 HydrophobicContact CE1-CZ3 3.99Å; Y349-W380 WeakPolarHBondContact O-CZ2 3.49Å; Y349-W380 PolarHBondContact O-NE1 3.2Å; F354-W380 HydrophobicContact CB-CH2 4.37Å; F354-W380 HydrophobicContact CB-CZ2 3.53Å; F354-W380 HydrophobicContact CD1-CH2 4.12Å; F354-W380 HydrophobicContact CD1-CZ2 4.11Å; F354-W380 AromaticContact CD2-CH2 3.84Å; F354-W380 HydrophobicContact CD2-CH2 3.84Å; F354-W380 AromaticContact CD2-CZ2 3.57Å; F354-W380 HydrophobicContact CD2-CZ2 3.57Å; F354-W380 HydrophobicContact CE1-CH2 4.37Å; F354-W380 HydrophobicContact CE2-CH2 4.09Å; F354-W380 HydrophobicContact CE2-CZ2 4.28Å; F354-W380 AromaticContact CG-CH2 3.85Å; F354-W380 HydrophobicContact CG-CH2 3.85Å; F354-W380 AromaticContact CG-CZ2 3.46Å; F354-W380 HydrophobicContact CG-CZ2 3.46Å; F354-W380 VanDerWaalsContact CG-CZ2 3.46Å; F354-W380 HydrophobicContact CZ-CH2 4.35Å; W378-W380 HydrophobicContact CZ3-CD2 4.18Å; W378-W380 HydrophobicContact CZ3-CE3 4.37Å |
| 381 | S | 89.5 | Confident | 87.2 | Confident | 118 Ų | 118 | 51.8 Ų | 51.8 | 83% | 0.825 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -10.1 | 179.2 | 57.3 | 0 | 0 | 0 | 0 | 115.1 | T379 | T379-S381 PolarHBondContact O-N 3.08Å; T379-S381 PolarHBondContact OG1-OG 3.11Å |
| 382 | N | 92.4 | Very high | 88.1 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | -1.4 | -179.8 | 82 | -34.2 | 0 | 0 | 0 | 115.4 | T379 R384 A385 C386 | T379-N382 WeakPolarHBondContact CA-OD1 3.49Å; T379-N382 WeakPolarHBondContact CB-OD1 3.31Å; T379-N382 PolarHBondContact N-OD1 2.65Å; T379-N382 PolarHBondContact O-N 3.21Å; T379-N382 PolarHBondContact O-OD1 3.02Å; T379-N382 VanDerWaalsContact O-OD1 3.05Å; T379-N382 PolarHBondContact OG1-OD1 3.01Å; N382-R384 PolarHBondContact O-N 3.16Å; N382-R384 VanDerWaalsContact O-N 3.15Å; N382-A385 CarbonylContact O-C 3.52Å; N382-A385 WeakPolarHBondContact O-CA 3.43Å; N382-A385 PolarHBondContact O-N 3.3Å; N382-C386 PolarHBondContact O-N 2.64Å; N382-C386 VanDerWaalsContact O-N 3.09Å; N382-C386 PolarHBondContact O-SG 3.1Å |
| 383 | I | 93.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -49.9 | -40.7 | 179 | -172 | 174.4 | 0 | 0 | 0 | 112.5 | W146 F189 A192 E193 L196 H223 W378 T379 A385 C386 | W146-I383 HydrophobicContact CH2-CG2 4.07Å; F189-I383 HydrophobicContact CD2-CD1 4.04Å; F189-I383 HydrophobicContact CD2-CG1 3.92Å; F189-I383 HydrophobicContact CE2-CD1 4.14Å; F189-I383 HydrophobicContact CE2-CG1 3.54Å; F189-I383 HydrophobicContact CG-CD1 4.27Å; F189-I383 HydrophobicContact CZ-CD1 4.46Å; F189-I383 HydrophobicContact CZ-CG1 3.87Å; A192-I383 HydrophobicContact CB-CD1 3.69Å; E193-I383 HydrophobicContact CG-CD1 3.68Å; E193-I383 HydrophobicContact CG-CG1 4.06Å; L196-I383 HydrophobicContact CD1-CG2 3.67Å; H223-I383 PolarHBondContact CE1-O 2.84Å; W378-I383 HydrophobicContact CB-CB 4.17Å; W378-I383 HydrophobicContact CB-CG1 4.22Å; W378-I383 HydrophobicContact CD2-CB 4.2Å; W378-I383 HydrophobicContact CD2-CD1 3.65Å; W378-I383 HydrophobicContact CD2-CG1 3.91Å; W378-I383 HydrophobicContact CE3-CB 4.09Å; W378-I383 HydrophobicContact CE3-CD1 3.85Å; W378-I383 HydrophobicContact CE3-CG1 4.22Å; W378-I383 HydrophobicContact CG-CB 4.24Å; W378-I383 HydrophobicContact CG-CD1 4.13Å; W378-I383 HydrophobicContact CG-CG1 3.9Å; W378-I383 HydrophobicContact CH2-CD1 4.27Å; W378-I383 HydrophobicContact CZ2-CD1 4.02Å; W378-I383 HydrophobicContact CZ3-CD1 4.18Å; T379-I383 PolarHBondContact O-N 2.62Å; I383-A385 PolarHBondContact O-N 3.12Å; I383-A385 VanDerWaalsContact O-N 3.07Å; I383-C386 WeakPolarHBondContact O-CB 3.35Å; I383-C386 PolarHBondContact O-N 2.97Å |
| 384 | R | 93 | Very high | 89.5 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -67.9 | -5.6 | 177.8 | -153.8 | 44.8 | 160.5 | 96.3 | -15.5 | 115.8 | W146 E193 D219 H223 L224 N382 | W146-R384 HydrophobicContact CH2-CB 3.56Å; W146-R384 HydrophobicContact CH2-CG 3.71Å; W146-R384 HydrophobicContact CZ2-CB 4.02Å; W146-R384 HydrophobicContact CZ2-CG 4.2Å; W146-R384 HydrophobicContact CZ3-CB 4.33Å; W146-R384 VanDerWaalsContact CZ3-CD 3.41Å; W146-R384 HydrophobicContact CZ3-CG 4.03Å; E193-R384 WeakPolarHBondContact OE1-CD 3.48Å; D219-R384 IonicContact OD2-CZ 2.65Å; D219-R384 IonicContact OD2-NH1 2.68Å; D219-R384 PolarHBondContact OD2-NH1 2.88Å; D219-R384 IonicContact OD2-NH2 3.71Å; D219-R384 PolarHBondContact OD2-NH2 3.37Å; H223-R384 VanDerWaalsContact CB-NH1 3.32Å; L224-R384 PolarHBondContact O-NH2 2.76Å; N382-R384 PolarHBondContact O-N 3.16Å; N382-R384 VanDerWaalsContact O-N 3.15Å |
| 385 | A | 92.1 | Very high | 90.2 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 75% | 0.752 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -121.9 | -2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N382 I383 | N382-A385 CarbonylContact O-C 3.52Å; N382-A385 WeakPolarHBondContact O-CA 3.43Å; N382-A385 PolarHBondContact O-N 3.3Å; I383-A385 PolarHBondContact O-N 3.12Å; I383-A385 VanDerWaalsContact O-N 3.07Å |
| 386 | C | 92 | Very high | 90.6 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -76.6 | 168.4 | 165.2 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | H223 W378 N382 I383 | H223-C386 PolarHBondContact CE1-O 3.45Å; H223-C386 PolarHBondContact NE2-O 3.31Å; W378-C386 HydrophobicContact CB-CB 4.26Å; N382-C386 PolarHBondContact O-N 2.64Å; N382-C386 VanDerWaalsContact O-N 3.09Å; N382-C386 PolarHBondContact O-SG 3.1Å; I383-C386 WeakPolarHBondContact O-CB 3.35Å; I383-C386 PolarHBondContact O-N 2.97Å |
| 387 | R | 90.5 | Very high | 91 | Very high | 135 Ų | 135 | 67.5 Ų | 67.5 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 124.3 | 175.4 | -176.6 | -177.6 | 174.9 | -151.4 | -6.2 | 109.6 | ||
| 388 | A | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 154.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F189 G222 F390 | F189-A388 HydrophobicContact CE1-CB 3.92Å; F189-A388 HydrophobicContact CZ-CB 3.95Å; G222-A388 VanDerWaalsContact C-CB 3.45Å; G222-A388 VanDerWaalsContact O-CB 3.29Å; G222-A388 WeakPolarHBondContact O-CB 3.46Å; A388-F390 CarbonylContact C-O 2.91Å |
| 389 | P | 91.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -59.2 | -46.9 | 177.5 | -23.6 | 31.8 | 0 | 0 | 0 | 113.3 | A186 F189 Y190 I375 | A186-P389 HydrophobicContact CB-CB 3.58Å; A186-P389 HydrophobicContact CB-CG 3.72Å; F189-P389 HydrophobicContact CB-CG 3.9Å; F189-P389 HydrophobicContact CD1-CG 3.96Å; F189-P389 HydrophobicContact CD2-CG 4.49Å; F189-P389 HydrophobicContact CG-CG 3.88Å; Y190-P389 HydrophobicContact CD2-CG 4.37Å; Y190-P389 HydrophobicContact CE2-CB 3.96Å; Y190-P389 HydrophobicContact CE2-CG 3.75Å; I375-P389 HydrophobicContact CB-CG 4.47Å; I375-P389 HydrophobicContact CD1-CB 3.86Å; I375-P389 HydrophobicContact CD1-CG 3.96Å |
| 390 | F | 91.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 2% | 0.022 | 32% | 0.323 | C | S | . | . | trans | -80.2 | 145.6 | 168.3 | 177.5 | -139.8 | 0 | 0 | 0 | 110.6 | G169 W175 Y190 L218 A388 P392 Y402 | G169-F390 WeakPolarHBondContact O-CE1 3.11Å; W175-F390 HydrophobicContact CD2-CB 3.91Å; W175-F390 HydrophobicContact CD2-CD2 4Å; W175-F390 HydrophobicContact CD2-CG 4.02Å; W175-F390 HydrophobicContact CE3-CB 4.09Å; W175-F390 AromaticContact CE3-CD2 3.3Å; W175-F390 HydrophobicContact CE3-CD2 3.3Å; W175-F390 AromaticContact CE3-CE2 3.78Å; W175-F390 HydrophobicContact CE3-CE2 3.78Å; W175-F390 AromaticContact CE3-CG 3.8Å; W175-F390 HydrophobicContact CE3-CG 3.8Å; W175-F390 HydrophobicContact CG-CB 4.48Å; W175-F390 HydrophobicContact CH2-CB 4.14Å; W175-F390 AromaticContact CH2-CD2 3.85Å; W175-F390 HydrophobicContact CH2-CD2 3.85Å; W175-F390 HydrophobicContact CH2-CG 4.42Å; W175-F390 HydrophobicContact CZ2-CB 3.95Å; W175-F390 HydrophobicContact CZ2-CD2 4.47Å; W175-F390 HydrophobicContact CZ3-CB 4.23Å; W175-F390 AromaticContact CZ3-CD2 3.24Å; W175-F390 HydrophobicContact CZ3-CD2 3.24Å; W175-F390 AromaticContact CZ3-CE2 3.84Å; W175-F390 HydrophobicContact CZ3-CE2 3.84Å; W175-F390 HydrophobicContact CZ3-CG 4.03Å; Y190-F390 VanDerWaalsContact OH-CB 3.31Å; Y190-F390 WeakPolarHBondContact OH-CB 3.3Å; Y190-F390 PolarHBondContact OH-N 3.34Å; L218-F390 HydrophobicContact CB-CD1 4.12Å; L218-F390 HydrophobicContact CB-CE1 4.37Å; L218-F390 HydrophobicContact CD1-CB 4.45Å; L218-F390 HydrophobicContact CD1-CD1 3.57Å; L218-F390 HydrophobicContact CD1-CE1 4.19Å; L218-F390 HydrophobicContact CD1-CG 4.4Å; L218-F390 HydrophobicContact CG-CD1 4.48Å; A388-F390 CarbonylContact C-O 2.91Å; F390-P392 HydrophobicContact CD1-CG 4.45Å; F390-P392 HydrophobicContact CE1-CB 3.7Å; F390-P392 HydrophobicContact CE1-CG 3.98Å; F390-P392 HydrophobicContact CE2-CB 4.3Å; F390-P392 HydrophobicContact CZ-CB 3.56Å; F390-P392 HydrophobicContact CZ-CG 4.3Å; F390-Y402 HydrophobicContact CE2-CD1 4.4Å; F390-Y402 AromaticContact CE2-CE1 3.88Å; F390-Y402 HydrophobicContact CE2-CE1 3.88Å; F390-Y402 AromaticContact CZ-CD1 3.67Å; F390-Y402 HydrophobicContact CZ-CD1 3.67Å; F390-Y402 HydrophobicContact CZ-CD2 4.36Å; F390-Y402 AromaticContact CZ-CE1 3.53Å; F390-Y402 HydrophobicContact CZ-CE1 3.53Å; F390-Y402 HydrophobicContact CZ-CE2 4.24Å; F390-Y402 HydrophobicContact CZ-CG 4.09Å; F390-Y402 AromaticContact CZ-CZ 3.83Å | ||
| 391 | Q | 90.8 | Very high | 91.2 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | trans | -131 | 108.1 | 162.2 | -166.2 | 79.5 | 76.5 | 0 | 0 | 108.6 | A220 G221 H393 | A220-Q391 PolarHBondContact O-NE2 2.86Å; G221-Q391 PolarHBondContact O-NE2 3.34Å; Q391-H393 PolarHBondContact O-CE1 2.59Å; Q391-H393 PolarHBondContact O-N 2.77Å; Q391-H393 PolarHBondContact O-ND1 2.94Å | ||
| 392 | P | 90.6 | Very high | 91.2 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 7% | 0.065 | 30% | 0.301 | C | S | . | . | trans | -67.1 | 127.7 | 178.1 | 22.7 | -29.6 | 0 | 0 | 0 | 111.1 | D219 F390 L394 Y402 | D219-P392 VanDerWaalsContact O-CG 3.32Å; D219-P392 WeakPolarHBondContact O-CG 3.49Å; F390-P392 HydrophobicContact CD1-CG 4.45Å; F390-P392 HydrophobicContact CE1-CB 3.7Å; F390-P392 HydrophobicContact CE1-CG 3.98Å; F390-P392 HydrophobicContact CE2-CB 4.3Å; F390-P392 HydrophobicContact CZ-CB 3.56Å; F390-P392 HydrophobicContact CZ-CG 4.3Å; P392-L394 VanDerWaalsContact C-N 3.34Å; P392-L394 HydrophobicContact CB-CD2 4.07Å; P392-L394 HydrophobicContact CB-CG 4.12Å; P392-L394 PolarHBondContact O-N 3.18Å; P392-L394 VanDerWaalsContact O-N 3.17Å; P392-Y402 HydrophobicContact CB-CD2 3.92Å; P392-Y402 HydrophobicContact CB-CE2 3.55Å | ||
| 393 | H | 92.1 | Very high | 90.9 | Very high | 147 Ų | 147 | 58 Ų | 58 | 68% | 0.681 | 29% | 0.29 | S | S | * | . | trans | -91.7 | 66.5 | -177 | -73.9 | 67.2 | 0 | 0 | 0 | 111 | Q391 Y402 | Q391-H393 PolarHBondContact O-CE1 2.59Å; Q391-H393 PolarHBondContact O-N 2.77Å; Q391-H393 PolarHBondContact O-ND1 2.94Å; H393-Y402 PolarHBondContact N-OH 3.46Å | ||
| 394 | L | 90.9 | Very high | 90 | Very high | 53 Ų | 53 | 64.5 Ų | 64.5 | 28% | 0.277 | 32% | 0.321 | S | S | . | . | trans | -69.5 | 127.1 | -172.9 | -55.1 | 172.6 | 0 | 0 | 0 | 112.7 | P168 A220 P392 D399 Y402 | P168-L394 HydrophobicContact CB-CD1 3.72Å; P168-L394 HydrophobicContact CB-CD2 3.87Å; P168-L394 HydrophobicContact CB-CG 4.47Å; P168-L394 HydrophobicContact CG-CD1 3.46Å; P168-L394 VanDerWaalsContact CG-CD1 3.46Å; P168-L394 HydrophobicContact CG-CD2 4.44Å; A220-L394 HydrophobicContact CB-CD1 3.93Å; P392-L394 VanDerWaalsContact C-N 3.34Å; P392-L394 HydrophobicContact CB-CD2 4.07Å; P392-L394 HydrophobicContact CB-CG 4.12Å; P392-L394 PolarHBondContact O-N 3.18Å; P392-L394 VanDerWaalsContact O-N 3.17Å; L394-D399 HydrophobicContact CD2-CB 4.3Å; L394-Y402 HydrophobicContact CD2-CD2 4.03Å; L394-Y402 HydrophobicContact CD2-CE2 4.02Å | ||
| 395 | R | 91.3 | Very high | 88.5 | Confident | 216 Ų | 216 | 67.6 Ų | 67.6 | 82% | 0.815 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -81.8 | -22.6 | 176.8 | -57.3 | 162.3 | -170 | -174.9 | 4.8 | 112.7 | D399 | R395-D399 WeakPolarHBondContact CB-OD2 3.04Å; R395-D399 WeakPolarHBondContact CD-OD2 3.4Å; R395-D399 WeakPolarHBondContact CG-OD2 3.43Å; R395-D399 PolarHBondContact N-OD2 3.41Å; R395-D399 IonicContact NE-OD2 3.95Å |
| 396 | S | 91.1 | Very high | 86.9 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -159.3 | 169.8 | 175.9 | 68.8 | 0 | 0 | 0 | 0 | 110.9 | T398 D399 | S396-T398 PolarHBondContact O-N 3.42Å; S396-T398 PolarHBondContact OG-N 2.87Å; S396-T398 VanDerWaalsContact OG-N 3.11Å; S396-T398 PolarHBondContact OG-OG1 2.81Å; S396-D399 WeakPolarHBondContact O-CB 3.41Å; S396-D399 PolarHBondContact O-N 2.77Å; S396-D399 PolarHBondContact OG-N 2.79Å |
| 397 | E | 88.9 | Confident | 84.8 | Confident | 118 Ų | 118 | 67.7 Ų | 67.7 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -3.2 | 166.3 | 50.4 | 161.6 | -155.8 | 0 | 0 | 114.4 | R107 V114 | R107-E397 IonicContact CZ-OE1 3.65Å; R107-E397 IonicContact NH1-OE1 3.01Å; R107-E397 PolarHBondContact NH1-OE1 2.94Å; R107-E397 IonicContact NH1-OE2 3.67Å; R107-E397 IonicContact NH2-OE1 2.69Å; R107-E397 PolarHBondContact NH2-OE1 3.44Å; V114-E397 HydrophobicContact CG2-CB 4.41Å; V114-E397 HydrophobicContact CG2-CG 4.19Å |
| 398 | T | 91.2 | Very high | 82.4 | Confident | 38 Ų | 38 | 68 Ų | 68 | 23% | 0.233 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 20.9 | 178.8 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | I92 L105 V114 S396 T400 | I92-T398 HydrophobicContact CD1-CG2 3.73Å; I92-T398 HydrophobicContact CG2-CG2 4.4Å; L105-T398 HydrophobicContact CD2-CG2 4.45Å; V114-T398 HydrophobicContact CG1-CG2 4.3Å; V114-T398 HydrophobicContact CG2-CG2 3.84Å; S396-T398 PolarHBondContact O-N 3.42Å; S396-T398 PolarHBondContact OG-N 2.87Å; S396-T398 VanDerWaalsContact OG-N 3.11Å; S396-T398 PolarHBondContact OG-OG1 2.81Å; T398-T400 PolarHBondContact O-N 3.22Å |
| 399 | D | 91 | Very high | 79.9 | Confident | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.08 | 36% | 0.361 | C | S | . | . | trans | -81.5 | 104.1 | -176.3 | -169.9 | -15.6 | 0 | 0 | 0 | 111.4 | Y166 L394 R395 S396 S401 | Y166-D399 PolarHBondContact OH-O 3.33Å; Y166-D399 VanDerWaalsContact OH-O 3.1Å; L394-D399 HydrophobicContact CD2-CB 4.3Å; R395-D399 WeakPolarHBondContact CB-OD2 3.04Å; R395-D399 WeakPolarHBondContact CD-OD2 3.4Å; R395-D399 WeakPolarHBondContact CG-OD2 3.43Å; R395-D399 PolarHBondContact N-OD2 3.41Å; R395-D399 IonicContact NE-OD2 3.95Å; S396-D399 WeakPolarHBondContact O-CB 3.41Å; S396-D399 PolarHBondContact O-N 2.77Å; S396-D399 PolarHBondContact OG-N 2.79Å; D399-S401 VanDerWaalsContact C-N 3.31Å; D399-S401 VanDerWaalsContact CG-OG 3.31Å; D399-S401 PolarHBondContact O-N 3.19Å; D399-S401 WeakPolarHBondContact OD1-CB 3.33Å; D399-S401 PolarHBondContact OD1-N 3Å; D399-S401 PolarHBondContact OD1-OG 2.87Å | ||
| 400 | T | 90.2 | Very high | 77.4 | Confident | 36 Ų | 36 | 77.4 Ų | 77.4 | 22% | 0.221 | 39% | 0.393 | C | S | . | . | trans | -90.1 | 19.9 | 179.7 | 68.9 | 0 | 0 | 0 | 0 | 113.7 | L95 L105 T398 Y402 F403 | L95-T400 HydrophobicContact CD2-CG2 3.53Å; L105-T400 HydrophobicContact CD2-CG2 3.62Å; T398-T400 PolarHBondContact O-N 3.22Å; T400-Y402 PolarHBondContact O-N 3.23Å; T400-F403 PolarHBondContact O-N 3.49Å | ||
| 401 | S | 88.7 | Confident | 74.9 | Confident | 60 Ų | 60 | 82.4 Ų | 82.4 | 42% | 0.42 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19.5 | -175.7 | 47.9 | 0 | 0 | 0 | 0 | 115.4 | D399 F403 | D399-S401 VanDerWaalsContact C-N 3.31Å; D399-S401 VanDerWaalsContact CG-OG 3.31Å; D399-S401 PolarHBondContact O-N 3.19Å; D399-S401 WeakPolarHBondContact OD1-CB 3.33Å; D399-S401 PolarHBondContact OD1-N 3Å; D399-S401 PolarHBondContact OD1-OG 2.87Å; S401-F403 VanDerWaalsContact C-N 3.33Å |
| 402 | Y | 89.3 | Confident | 72.7 | Confident | 44 Ų | 44 | 83.5 Ų | 83.5 | 17% | 0.173 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 14.9 | 173.9 | -58.9 | -69.8 | 0 | 0 | 0 | 113.7 | G169 G170 F390 P392 H393 L394 T400 | G169-Y402 VanDerWaalsContact C-CB 3.49Å; G170-Y402 VanDerWaalsContact CA-O 3.27Å; G170-Y402 WeakPolarHBondContact CA-O 3.35Å; F390-Y402 HydrophobicContact CE2-CD1 4.4Å; F390-Y402 AromaticContact CE2-CE1 3.88Å; F390-Y402 HydrophobicContact CE2-CE1 3.88Å; F390-Y402 AromaticContact CZ-CD1 3.67Å; F390-Y402 HydrophobicContact CZ-CD1 3.67Å; F390-Y402 HydrophobicContact CZ-CD2 4.36Å; F390-Y402 AromaticContact CZ-CE1 3.53Å; F390-Y402 HydrophobicContact CZ-CE1 3.53Å; F390-Y402 HydrophobicContact CZ-CE2 4.24Å; F390-Y402 HydrophobicContact CZ-CG 4.09Å; F390-Y402 AromaticContact CZ-CZ 3.83Å; P392-Y402 HydrophobicContact CB-CD2 3.92Å; P392-Y402 HydrophobicContact CB-CE2 3.55Å; H393-Y402 PolarHBondContact N-OH 3.46Å; L394-Y402 HydrophobicContact CD2-CD2 4.03Å; L394-Y402 HydrophobicContact CD2-CE2 4.02Å; T400-Y402 PolarHBondContact O-N 3.23Å |
| 403 | F | 85.9 | Confident | 70 | Confident | 33 Ų | 33 | 91 Ų | 91 | 15% | 0.145 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -117 | 134.1 | 171.5 | -63.4 | -96.5 | 0 | 0 | 0 | 107.9 | L95 Y166 V167 T400 S401 P405 | L95-F403 HydrophobicContact CB-CD1 4Å; L95-F403 HydrophobicContact CB-CE1 4.17Å; L95-F403 HydrophobicContact CD2-CB 4.47Å; L95-F403 HydrophobicContact CD2-CD1 3.97Å; L95-F403 HydrophobicContact CD2-CD2 3.83Å; L95-F403 HydrophobicContact CD2-CE1 4.11Å; L95-F403 HydrophobicContact CD2-CE2 4.01Å; L95-F403 HydrophobicContact CD2-CG 3.81Å; L95-F403 HydrophobicContact CD2-CZ 4.12Å; L95-F403 VanDerWaalsContact O-CD1 3.26Å; L95-F403 WeakPolarHBondContact O-CD1 3.17Å; Y166-F403 AromaticContact CE2-CE2 3.7Å; Y166-F403 HydrophobicContact CE2-CE2 3.7Å; Y166-F403 AromaticContact CE2-CZ 3.75Å; Y166-F403 HydrophobicContact CE2-CZ 3.75Å; Y166-F403 AromaticContact CZ-CE2 3.96Å; Y166-F403 WeakPolarHBondContact OH-CE2 3.47Å; V167-F403 WeakPolarHBondContact O-CZ 3.19Å; T400-F403 PolarHBondContact O-N 3.49Å; S401-F403 VanDerWaalsContact C-N 3.33Å; F403-P405 WeakPolarHBondContact O-CD 3.05Å |
| 404 | Q | 73.5 | Confident | 67.1 | Low | 137 Ų | 137 | 90 Ų | 90 | 64% | 0.64 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 124.8 | 178.1 | -65.9 | -171.6 | 1.3 | 0 | 0 | 109.2 | E406 | Q404-E406 PolarHBondContact O-N 3.26Å; Q404-E406 VanDerWaalsContact O-N 3.15Å |
| 405 | P | 61.4 | Low | 64.1 | Low | 127 Ų | 127 | 93.5 Ų | 93.5 | 83% | 0.825 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 120.4 | -179.3 | -24.1 | 34.1 | 0 | 0 | 0 | 110.3 | F403 T407 | F403-P405 WeakPolarHBondContact O-CD 3.05Å; P405-T407 PolarHBondContact O-N 3.46Å |
| 406 | E | 59.2 | Low | 61 | Low | 49 Ų | 49 | 88.7 Ų | 88.7 | 23% | 0.229 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 121.9 | 173.1 | -61.2 | -170 | 162.7 | 0 | 0 | 108.6 | S94 G96 H97 Q404 D408 | S94-E406 WeakPolarHBondContact CB-OE2 3.23Å; S94-E406 VanDerWaalsContact OG-CD 3.28Å; S94-E406 PolarHBondContact OG-OE2 3.33Å; G96-E406 WeakPolarHBondContact CA-OE1 3.38Å; G96-E406 PolarHBondContact N-OE1 3.1Å; H97-E406 IonicContact CE1-OE1 3.68Å; H97-E406 PolarHBondContact CE1-OE1 3.03Å; H97-E406 IonicContact CE1-OE2 3.76Å; H97-E406 PolarHBondContact CE1-OE2 2.86Å; H97-E406 IonicContact CG-OE1 3.82Å; H97-E406 PolarHBondContact N-OE1 3.06Å; H97-E406 IonicContact ND1-OE1 2.67Å; H97-E406 PolarHBondContact ND1-OE1 3.49Å; H97-E406 IonicContact ND1-OE2 2.61Å; H97-E406 PolarHBondContact ND1-OE2 3.25Å; Q404-E406 PolarHBondContact O-N 3.26Å; Q404-E406 VanDerWaalsContact O-N 3.15Å; E406-D408 PolarHBondContact O-N 3.13Å |
| 407 | T | 47.4 | Very low | 57.9 | Low | 72 Ų | 72 | 93 Ų | 93 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -66 | 121.8 | 153.4 | 43.1 | 0 | 0 | 0 | 0 | 106.6 | P405 D409 S1388 | P405-T407 PolarHBondContact O-N 3.46Å; T407-D409 PolarHBondContact O-N 2.79Å; T407-S1388 PolarHBondContact OG1-O 2.85Å |
| 408 | D | 40.7 | Very low | 54.9 | Low | 142 Ų | 142 | 90.8 Ų | 90.8 | 76% | 0.759 | 50% | 0.499 | S | S | * | . | trans | -58.1 | 102.2 | 175 | -65.6 | -64.2 | 0 | 0 | 0 | 109.4 | E406 E410 | E406-D408 PolarHBondContact O-N 3.13Å; D408-E410 PolarHBondContact O-N 2.87Å | ||
| 409 | D | 40.1 | Very low | 51.8 | Low | 51 Ų | 51 | 97.5 Ų | 97.5 | 27% | 0.273 | 53% | 0.528 | S | S | . | . | trans | -65.1 | 101.2 | 167.6 | -103.7 | -24.4 | 0 | 0 | 0 | 107 | T407 D411 D412 F1387 S1388 | T407-D409 PolarHBondContact O-N 2.79Å; D409-D411 PolarHBondContact O-N 3.01Å; D409-D412 PolarHBondContact O-N 2.93Å; D409-D412 VanDerWaalsContact O-N 3.14Å; D409-F1387 WeakPolarHBondContact OD1-CB 3.16Å; D409-F1387 VanDerWaalsContact OD2-CA 3.31Å; D409-F1387 WeakPolarHBondContact OD2-CA 3.47Å; D409-F1387 WeakPolarHBondContact OD2-CB 3.28Å; D409-F1387 PolarHBondContact OD2-N 3.3Å; D409-S1388 WeakPolarHBondContact OD1-CB 3.44Å; D409-S1388 PolarHBondContact OD1-N 3.26Å; D409-S1388 PolarHBondContact OD1-OG 2.85Å; D409-S1388 PolarHBondContact OD2-N 2.82Å | ||
| 410 | E | 38.5 | Very low | 48.9 | Very low | 155 Ų | 155 | 102.5 Ų | 102.5 | 72% | 0.724 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -55 | -14.8 | -174.8 | -61 | -175.7 | 148.9 | 0 | 0 | 113.3 | D408 D412 E413 L414 | D408-E410 PolarHBondContact O-N 2.87Å; E410-D412 VanDerWaalsContact C-N 3.32Å; E410-D412 PolarHBondContact O-N 3.18Å; E410-E413 PolarHBondContact O-N 2.77Å; E410-L414 WeakPolarHBondContact O-CG 3.23Å; E410-L414 PolarHBondContact O-N 3.32Å |
| 411 | D | 41.1 | Very low | 46 | Very low | 110 Ų | 110 | 106.6 Ų | 106.6 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -63.3 | -21.7 | 175.2 | -77.7 | -20.4 | 0 | 0 | 0 | 115.1 | D409 | D409-D411 PolarHBondContact O-N 3.01Š|
| 412 | D | 43.2 | Very low | 43.2 | Very low | 87 Ų | 87 | 109.7 Ų | 109.7 | 47% | 0.465 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -98.3 | -7.2 | -179.8 | -135.9 | 40.8 | 0 | 0 | 0 | 114 | K121 D409 E410 | K121-D412 IonicContact NZ-OD1 2.77Å; K121-D412 PolarHBondContact NZ-OD1 2.82Å; K121-D412 IonicContact NZ-OD2 2.79Å; K121-D412 PolarHBondContact NZ-OD2 2.88Å; D409-D412 PolarHBondContact O-N 2.93Å; D409-D412 VanDerWaalsContact O-N 3.14Å; E410-D412 VanDerWaalsContact C-N 3.32Å; E410-D412 PolarHBondContact O-N 3.18Å |
| 413 | E | 35.3 | Very low | 40.3 | Very low | 169 Ų | 169 | 113 Ų | 113 | 79% | 0.79 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -26.8 | 167.3 | -78.5 | -151.9 | 138 | 0 | 0 | 113.5 | E410 M415 V416 | E410-E413 PolarHBondContact O-N 2.77Å; E413-M415 PolarHBondContact O-N 3.32Å; E413-V416 PolarHBondContact O-N 3Å |
| 414 | L | 31.1 | Very low | 37.6 | Very low | 126 Ų | 126 | 118.3 Ų | 118.3 | 66% | 0.66 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 39.6 | -173.4 | -77 | 172.3 | 0 | 0 | 0 | 116 | E410 | E410-L414 WeakPolarHBondContact O-CG 3.23Å; E410-L414 PolarHBondContact O-N 3.32Å |
| 415 | M | 26.4 | Very low | 35.5 | Very low | 126 Ų | 126 | 117 Ų | 117 | 62% | 0.621 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 18.9 | 165.2 | -74.2 | -67.1 | 158.3 | 0 | 0 | 113.6 | E413 S477 T1550 | E413-M415 PolarHBondContact O-N 3.32Å; M415-S477 PolarHBondContact O-OG 3.02Å; M415-T1550 HydrophobicContact CE-CG2 3.93Å |
| 416 | V | 27.5 | Very low | 34 | Very low | 115 Ų | 115 | 116 Ų | 116 | 70% | 0.697 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -117.6 | 121.4 | 172.9 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | E413 | E413-V416 PolarHBondContact O-N 3Š|
| 417 | D | 25.3 | Very low | 32.4 | Very low | 142 Ų | 142 | 118 Ų | 118 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | trans | 56.4 | 78.7 | 161 | -60.6 | -13.6 | 0 | 0 | 0 | 120.4 | ||||
| 418 | G | 25.9 | Very low | 31.6 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 66% | 0.66 | S | S | * | * | trans | -163 | 115.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 419 | E | 27 | Very low | 31 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 84% | 0.841 | 66% | 0.66 | S | S | * | * | -166.4 | 151.7 | 76.6 | -86.5 | -145.1 | 110.4 | 0 | 0 | 110.5 | |||||
| 420 | N | 29.2 | Very low | 30.4 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 64% | 0.642 | 68% | 0.681 | S | S | * | * | cis | -168.2 | 170 | -15.6 | -135.1 | -33.6 | 0 | 0 | 0 | 110.7 | ||||
| 421 | V | 29.4 | Very low | 29.8 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 74% | 0.739 | 69% | 0.687 | S | S | * | * | trans | 65.9 | 136 | 147.1 | 158 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 422 | V | 29.2 | Very low | 29.1 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 76% | 0.758 | 70% | 0.697 | S | S | * | * | cis | -171 | 179.2 | -6 | 66.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 423 | D | 28.6 | Very low | 28.3 | Very low | 114 Ų | 114 | 131 Ų | 131 | 61% | 0.61 | 70% | 0.701 | S | S | * | * | cis | -162.1 | 163.9 | 19.1 | -171.2 | 14.1 | 0 | 0 | 0 | 110.7 | ||||
| 424 | K | 29.5 | Very low | 27.9 | Very low | 143 Ų | 143 | 125 Ų | 125 | 62% | 0.622 | 68% | 0.684 | S | S | * | * | trans | 68 | 145.7 | 167.1 | -38.1 | -171.9 | -174.4 | -178.2 | 0 | 117.1 | V1580 | K424-V1580 HydrophobicContact CD-CG1 3.96Š| ||
| 425 | D | 30.3 | Very low | 27.8 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | cis | -146.3 | 139.7 | 7.2 | -155.8 | 26.4 | 0 | 0 | 0 | 108.9 | ||||
| 426 | P | 28.6 | Very low | 27.9 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 69% | 0.688 | 67% | 0.673 | S | S | * | * | trans | -83.5 | 177.9 | -175.5 | 33.1 | -34.7 | 0 | 0 | 0 | 113.9 | ||||
| 427 | S | 26.5 | Very low | 27.9 | Very low | 90 Ų | 90 | 121 Ų | 121 | 63% | 0.629 | 66% | 0.663 | S | S | * | * | trans | 92.5 | 66.4 | 165.1 | 78.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 428 | K | 31 | Very low | 28.1 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 66% | 0.657 | 67% | 0.666 | S | S | * | * | trans | -131.2 | 104.4 | 135.2 | -81.4 | -178 | 176.3 | 173.9 | 0 | 108.3 | P1585 | K428-P1585 VanDerWaalsContact CE-C 3.43Å; K428-P1585 WeakPolarHBondContact CE-O 3.38Å; K428-P1585 PolarHBondContact NZ-O 3.14Å | ||
| 429 | Y | 27.8 | Very low | 28.2 | Very low | 195 Ų | 195 | 123.4 Ų | 123.4 | 77% | 0.765 | 66% | 0.658 | S | S | * | * | 49.5 | 115.2 | 88.7 | -76.5 | -83 | 0 | 0 | 0 | 112.8 | |||||
| 430 | G | 27.3 | Very low | 28.2 | Very low | 69 Ų | 69 | 120.1 Ų | 120.1 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | cis | 115.9 | 141.8 | -6.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 431 | R | 25.9 | Very low | 28.1 | Very low | 225 Ų | 225 | 121.6 Ų | 121.6 | 85% | 0.849 | 66% | 0.659 | S | S | * | * | trans | 93.7 | 144.5 | 170.4 | -61.3 | -175.7 | 171.7 | 175.3 | -2.4 | 119.7 | ||||
| 432 | N | 25.9 | Very low | 28.1 | Very low | 149 Ų | 149 | 121.8 Ų | 121.8 | 80% | 0.797 | 66% | 0.66 | S | S | * | * | trans | 68.1 | 125.5 | 163.7 | -54.3 | -7 | 0 | 0 | 0 | 116.5 | ||||
| 433 | N | 27 | Very low | 28 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 55% | 0.551 | 66% | 0.659 | S | S | * | * | cis | 80.7 | 82.2 | 4.2 | -123 | -37.9 | 0 | 0 | 0 | 116.7 | S1599 N1600 | N433-S1599 WeakPolarHBondContact OD1-CB 3.28Å; N433-N1600 VanDerWaalsContact CG-ND2 3.3Å; N433-N1600 PolarHBondContact ND2-ND2 3.01Å; N433-N1600 PolarHBondContact ND2-OD1 3.31Å | ||
| 434 | G | 27.2 | Very low | 28 | Very low | 43 Ų | 43 | 123.8 Ų | 123.8 | 44% | 0.443 | 67% | 0.665 | S | S | . | * | trans | 164.9 | 150.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 435 | H | 29.2 | Very low | 28.1 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 57% | 0.569 | 66% | 0.663 | S | S | * | * | trans | -58.3 | -110 | -168.7 | -49 | 153.8 | 0 | 0 | 0 | 121.2 | S1596 P1597 S1598 | H435-S1596 PolarHBondContact O-N 3.02Å; H435-P1597 VanDerWaalsContact CG-C 3.42Å; H435-P1597 VanDerWaalsContact N-C 3.34Å; H435-P1597 VanDerWaalsContact N-CA 3.27Å; H435-P1597 VanDerWaalsContact ND1-C 3.35Å; H435-P1597 PolarHBondContact ND1-O 3.22Å; H435-S1598 VanDerWaalsContact CE1-C 3.5Å; H435-S1598 PolarHBondContact CE1-O 3.07Å; H435-S1598 VanDerWaalsContact N-N 3.11Å; H435-S1598 PolarHBondContact NE2-O 2.82Å | ||
| 436 | D | 27.7 | Very low | 28.1 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 47% | 0.471 | 67% | 0.666 | S | S | . | * | -53.3 | 172.9 | -126.9 | -26.3 | -30.8 | 0 | 0 | 0 | 122.9 | S1595 S1596 P1597 | D436-S1595 CarbonylContact C-O 3.58Å; D436-S1595 WeakPolarHBondContact CA-O 3.38Å; D436-S1595 WeakPolarHBondContact CB-O 3.29Å; D436-S1595 PolarHBondContact N-O 3.44Å; D436-S1595 CarbonylContact O-C 3.56Å; D436-S1596 VanDerWaalsContact N-CA 3.3Å; D436-S1596 PolarHBondContact O-N 3.04Å; D436-P1597 WeakPolarHBondContact OD1-CD 3.31Å; D436-P1597 WeakPolarHBondContact OD2-CD 3.22Å | |||
| 437 | S | 27.8 | Very low | 28.2 | Very low | 70 Ų | 70 | 124 Ų | 124 | 49% | 0.49 | 67% | 0.667 | S | S | . | * | 31.2 | 147.8 | 128 | 92.9 | 0 | 0 | 0 | 0 | 122.2 | S1595 | S437-S1595 PolarHBondContact O-N 3.22Å; S437-S1595 VanDerWaalsContact O-N 3.15Å | |||
| 438 | Q | 28.5 | Very low | 28.3 | Very low | 175 Ų | 175 | 126.6 Ų | 126.6 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | cis | -149.7 | -145.4 | -3.2 | -136.9 | -169.8 | 23.9 | 0 | 0 | 112.6 | ||||
| 439 | P | 29.9 | Very low | 28.3 | Very low | 90 Ų | 90 | 123 Ų | 123 | 58% | 0.584 | 68% | 0.679 | S | S | * | * | -121.8 | -179.3 | -114.7 | 35.9 | -13 | 0 | 0 | 0 | 117.4 | |||||
| 440 | T | 26.5 | Very low | 28.2 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | trans | 39.7 | 123.4 | 148 | 52.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 441 | D | 27 | Very low | 28.2 | Very low | 151 Ų | 151 | 125.2 Ų | 125.2 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | trans | 74.1 | 169.6 | 137.4 | -60.2 | -30.2 | 0 | 0 | 0 | 122 | ||||
| 442 | V | 28 | Very low | 28.3 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 76% | 0.758 | 68% | 0.681 | S | S | * | * | trans | 83.4 | 77.1 | 162.7 | -162.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 443 | I | 28.3 | Very low | 28.3 | Very low | 146 Ų | 146 | 121.2 Ų | 121.2 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | 62.8 | 107.8 | 110.8 | -66.2 | 166.6 | 0 | 0 | 0 | 119 | |||||
| 444 | N | 28.9 | Very low | 28.3 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | 77.2 | 146.3 | 135 | -96.4 | -14.8 | 0 | 0 | 0 | 124.8 | ||||
| 445 | N | 30.4 | Very low | 28.2 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | trans | 77.8 | 111.8 | 137.5 | -72.1 | -20.4 | 0 | 0 | 0 | 121.3 | ||||
| 446 | N | 31.8 | Very low | 28.1 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 65% | 0.647 | 71% | 0.713 | S | S | * | * | 53.9 | 121 | 116.5 | -46.6 | -21.4 | 0 | 0 | 0 | 118.4 | |||||
| 447 | N | 30.1 | Very low | 28.1 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | -174.4 | 140.4 | 81.9 | -98.6 | -70.8 | 0 | 0 | 0 | 114.9 | |||||
| 448 | N | 28.4 | Very low | 28 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 31.2 | 100.8 | 133.7 | -60.7 | -28.1 | 0 | 0 | 0 | 120.2 | ||||
| 449 | G | 30.5 | Very low | 28 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 76% | 0.763 | 73% | 0.731 | S | S | * | * | trans | -142.3 | 95.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 450 | K | 25.5 | Very low | 28.3 | Very low | 201 Ų | 201 | 131.5 Ų | 131.5 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | 51.4 | 83.4 | 78.3 | -71.8 | -173.1 | 174.4 | 176.1 | 0 | 114.5 | |||||
| 451 | C | 27.6 | Very low | 28.4 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | -162 | 140.7 | 128.6 | -96.5 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 452 | K | 27.3 | Very low | 28.7 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | 65.7 | 135.2 | 54.5 | -66.6 | -174.7 | 158.3 | -142.4 | 0 | 112.2 | |||||
| 453 | D | 27.5 | Very low | 28.5 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | cis | -155.9 | 167.2 | -3.1 | -101.3 | -33.4 | 0 | 0 | 0 | 108.6 | ||||
| 454 | V | 25.8 | Very low | 28.5 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 28.6 | 140.1 | 140.4 | -178.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 455 | A | 26.7 | Very low | 28.2 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 60% | 0.603 | 74% | 0.738 | S | S | * | * | cis | 176.2 | 162.3 | -21.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 456 | R | 26.8 | Very low | 27.8 | Very low | 257 Ų | 257 | 127.6 Ų | 127.6 | 97% | 0.97 | 73% | 0.731 | S | S | * | * | trans | 68.6 | 147 | 169.7 | -51.5 | 166.7 | 178.4 | 168.3 | -2 | 115.2 | ||||
| 457 | G | 27 | Very low | 27.4 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | cis | 156.1 | 147.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 458 | G | 26.2 | Very low | 26.9 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | 87.1 | 100.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 459 | D | 27.9 | Very low | 26.5 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | 86.7 | 139.1 | 69.6 | -77.3 | -38.1 | 0 | 0 | 0 | 112.6 | |||||
| 460 | F | 35.9 | Very low | 26.4 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | -18.9 | 134.7 | -178.6 | -75.7 | -92.8 | 0 | 0 | 0 | 116.5 | ||||
| 461 | P | 29.8 | Very low | 26.3 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | -151.9 | 107.2 | 63 | 37.5 | -15.7 | 0 | 0 | 0 | 116.8 | S463 | P461-S463 PolarHBondContact O-OG 3.37Å; P461-S463 VanDerWaalsContact O-OG 3.12Å | |||
| 462 | E | 31.6 | Very low | 26.1 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | trans | -134.1 | 113.6 | 149.2 | -68.9 | -175.4 | 154.4 | 0 | 0 | 106.6 | ||||
| 463 | S | 25.3 | Very low | 25.7 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | cis | 55.2 | 58.7 | 4.3 | 75.8 | 0 | 0 | 0 | 0 | 115.7 | P461 | P461-S463 PolarHBondContact O-OG 3.37Å; P461-S463 VanDerWaalsContact O-OG 3.12Å | ||
| 464 | S | 26.6 | Very low | 25.4 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | -120.2 | 109.6 | 121.8 | 59.1 | 0 | 0 | 0 | 0 | 109.1 | S466 | S464-S466 PolarHBondContact O-N 2.82Š| |||
| 465 | D | 24.2 | Very low | 25.2 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | -47.7 | 130.6 | 155 | -61 | -84.5 | 0 | 0 | 0 | 109.7 | ||||
| 466 | S | 21.6 | Very low | 25.1 | Very low | 64 Ų | 64 | 131.3 Ų | 131.3 | 45% | 0.448 | 71% | 0.713 | S | S | . | * | -168 | 133.4 | 126.2 | 40.7 | 0 | 0 | 0 | 0 | 110 | S464 H468 | S464-S466 PolarHBondContact O-N 2.82Å; S466-H468 WeakPolarHBondContact CB-ND1 3.41Å; S466-H468 PolarHBondContact O-N 3.47Å; S466-H468 PolarHBondContact OG-CE1 2.82Å; S466-H468 VanDerWaalsContact OG-CE1 3.3Å; S466-H468 PolarHBondContact OG-ND1 3.17Å; S466-H468 VanDerWaalsContact OG-ND1 3.12Å | |||
| 467 | D | 22.4 | Very low | 25 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | 25.3 | 47.3 | 85.1 | -74.4 | -3.9 | 0 | 0 | 0 | 115.1 | K469 | D467-K469 VanDerWaalsContact C-N 3.34Å; D467-K469 HydrophobicContact CB-CD 4.22Å; D467-K469 HydrophobicContact CB-CG 4.44Å; D467-K469 WeakPolarHBondContact O-CB 3.17Å; D467-K469 WeakPolarHBondContact O-CD 3.12Å; D467-K469 WeakPolarHBondContact O-CG 3.47Å | |||
| 468 | H | 19.9 | Very low | 25 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | trans | -104.4 | 49 | 165.6 | -84.5 | 17.6 | 0 | 0 | 0 | 111.7 | S466 | S466-H468 WeakPolarHBondContact CB-ND1 3.41Å; S466-H468 PolarHBondContact O-N 3.47Å; S466-H468 PolarHBondContact OG-CE1 2.82Å; S466-H468 VanDerWaalsContact OG-CE1 3.3Å; S466-H468 PolarHBondContact OG-ND1 3.17Å; S466-H468 VanDerWaalsContact OG-ND1 3.12Å | ||
| 469 | K | 20.6 | Very low | 24.9 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 58% | 0.578 | 68% | 0.684 | S | S | * | * | 31.6 | 105.8 | 105 | -78.4 | 168.2 | 125.5 | -170.2 | 0 | 114.4 | D467 S471 | D467-K469 VanDerWaalsContact C-N 3.34Å; D467-K469 HydrophobicContact CB-CD 4.22Å; D467-K469 HydrophobicContact CB-CG 4.44Å; D467-K469 WeakPolarHBondContact O-CB 3.17Å; D467-K469 WeakPolarHBondContact O-CD 3.12Å; D467-K469 WeakPolarHBondContact O-CG 3.47Å; K469-S471 VanDerWaalsContact CB-N 3.28Å; K469-S471 WeakPolarHBondContact CD-OG 3.08Å; K469-S471 WeakPolarHBondContact CE-OG 3.45Å; K469-S471 PolarHBondContact NZ-OG 3.11Å; K469-S471 CarbonylContact O-C 3.49Å | |||
| 470 | Y | 29.1 | Very low | 24.8 | Very low | 244 Ų | 244 | 129.6 Ų | 129.6 | 96% | 0.957 | 69% | 0.687 | S | S | * | * | S | Bend | -71.7 | 91.3 | 110.8 | -77 | -90.3 | 0 | 0 | 0 | 104.9 | |||
| 471 | S | 23.6 | Very low | 24.4 | Very low | 55 Ų | 55 | 125.6 Ų | 125.6 | 39% | 0.385 | 67% | 0.674 | S | S | . | * | cis | -71.2 | 107.9 | 49.7 | 76.7 | 0 | 0 | 0 | 0 | 121.6 | K469 | K469-S471 VanDerWaalsContact CB-N 3.28Å; K469-S471 WeakPolarHBondContact CD-OG 3.08Å; K469-S471 WeakPolarHBondContact CE-OG 3.45Å; K469-S471 PolarHBondContact NZ-OG 3.11Å; K469-S471 CarbonylContact O-C 3.49Å | ||
| 472 | G | 22 | Very low | 24.2 | Very low | 50 Ų | 50 | 124.3 Ų | 124.3 | 52% | 0.515 | 67% | 0.665 | S | S | . | * | -76 | 139.6 | 96.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 473 | R | 19.7 | Very low | 24 | Very low | 234 Ų | 234 | 117.1 Ų | 117.1 | 88% | 0.883 | 64% | 0.639 | S | S | * | * | 42.4 | 105.2 | 54.8 | -61.8 | -167.4 | -180 | -154.5 | 4 | 109.3 | |||||
| 474 | C | 21.1 | Very low | 24.2 | Very low | 105 Ų | 105 | 114.6 Ų | 114.6 | 71% | 0.709 | 62% | 0.621 | S | S | * | * | cis | -111.8 | 140.5 | 11.3 | -71.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 475 | S | 22.2 | Very low | 24.2 | Very low | 84 Ų | 84 | 111.9 Ų | 111.9 | 59% | 0.587 | 60% | 0.597 | S | S | * | * | 58.8 | 113.8 | 64.2 | 66.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 476 | D | 24.3 | Very low | 24.5 | Very low | 152 Ų | 152 | 107.3 Ų | 107.3 | 81% | 0.813 | 57% | 0.57 | S | S | * | * | trans | 67.2 | 67.7 | 150.9 | -49.6 | -32 | 0 | 0 | 0 | 120 | ||||
| 477 | S | 24.7 | Very low | 24.8 | Very low | 63 Ų | 63 | 104.9 Ų | 104.9 | 44% | 0.441 | 55% | 0.554 | S | S | . | * | trans | -153.3 | 52 | 153.7 | -150.3 | 0 | 0 | 0 | 0 | 114.4 | M415 | M415-S477 PolarHBondContact O-OG 3.02Š| ||
| 478 | L | 25.7 | Very low | 25.2 | Very low | 112 Ų | 112 | 101 Ų | 101 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | trans | -150.5 | 25.9 | 179.8 | -124.8 | 171.5 | 0 | 0 | 0 | 114.7 | K158 | K158-L478 HydrophobicContact CG-CD2 4.25Š| ||
| 479 | L | 25.2 | Very low | 25.8 | Very low | 159 Ų | 159 | 93.1 Ų | 93.1 | 83% | 0.832 | 49% | 0.494 | S | S | * | . | trans | -95.1 | 169.6 | 161.7 | -73.9 | 162.4 | 0 | 0 | 0 | 108.6 | ||||
| 480 | E | 25 | Very low | 26.3 | Very low | 157 Ų | 157 | 86.9 Ų | 86.9 | 73% | 0.734 | 47% | 0.467 | S | S | * | . | trans | 65.1 | 60.9 | 178.6 | -57 | -174.4 | -156.2 | 0 | 0 | 115.7 | ||||
| 481 | L | 28 | Very low | 26.8 | Very low | 89 Ų | 89 | 76 Ų | 76 | 47% | 0.466 | 43% | 0.425 | S | S | . | . | trans | -125.3 | 125.1 | 147.7 | -72.2 | -174.9 | 0 | 0 | 0 | 109.6 | S123 K158 | S123-L481 WeakPolarHBondContact OG-CD2 3.07Å; K158-L481 HydrophobicContact CB-CD1 4.45Å; K158-L481 HydrophobicContact CG-CD1 4.31Å | ||
| 482 | P | 26.3 | Very low | 27.5 | Very low | 75 Ų | 75 | 75.1 Ų | 75.1 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 144.4 | 168 | -21 | 32.8 | 0 | 0 | 0 | 110.9 | Y1465 | P482-Y1465 HydrophobicContact CB-CD1 4.02Å; P482-Y1465 HydrophobicContact CB-CE1 3.29Å |
| 483 | G | 26.3 | Very low | 28.1 | Very low | 28 Ų | 28 | 76.5 Ų | 76.5 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -66 | 170.1 | -152.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | L126 Y1465 | L126-G483 VanDerWaalsContact CD1-O 3.26Å; L126-G483 WeakPolarHBondContact CD1-O 3.4Å; G483-Y1465 WeakPolarHBondContact O-CB 3.45Å |
| 484 | S | 30.4 | Very low | 28.8 | Very low | 37 Ų | 37 | 67.7 Ų | 67.7 | 26% | 0.259 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 128.8 | -172 | 44.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 485 | Q | 27 | Very low | 29.3 | Very low | 48 Ų | 48 | 65.8 Ų | 65.8 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 146.1 | 146.9 | -69.2 | 152.1 | 46.6 | 0 | 0 | 107.9 | L126 A487 S1464 | L126-Q485 HydrophobicContact CD2-CB 3.22Å; L126-Q485 HydrophobicContact CD2-CG 3.35Å; L126-Q485 VanDerWaalsContact CD2-N 3.26Å; L126-Q485 VanDerWaalsContact CD2-NE2 3.33Å; L126-Q485 PolarHBondContact O-NE2 2.79Å; Q485-A487 VanDerWaalsContact C-N 3.31Å; Q485-A487 PolarHBondContact O-N 3.5Å; Q485-S1464 VanDerWaalsContact CD-CB 3.44Å |
| 486 | F | 30.3 | Very low | 29.7 | Very low | 60 Ų | 60 | 69 Ų | 69 | 26% | 0.263 | 39% | 0.388 | S | S | . | . | trans | -81.1 | 87.2 | 166.9 | -71.2 | -72.5 | 0 | 0 | 0 | 110 | A48 E52 F488 V1478 | A48-F486 HydrophobicContact CB-CD1 3.74Å; A48-F486 HydrophobicContact CB-CE1 3.82Å; E52-F486 HydrophobicContact CB-CE1 4.5Å; E52-F486 HydrophobicContact CB-CZ 3.88Å; E52-F486 HydrophobicContact CG-CZ 3.86Å; F486-F488 HydrophobicContact CB-CD1 4.32Å; F486-F488 HydrophobicContact CB-CD2 3.84Å; F486-F488 HydrophobicContact CB-CE1 3.93Å; F486-F488 HydrophobicContact CB-CE2 3.41Å; F486-F488 VanDerWaalsContact CB-CE2 3.41Å; F486-F488 HydrophobicContact CB-CG 4.28Å; F486-F488 HydrophobicContact CB-CZ 3.46Å; F486-F488 VanDerWaalsContact CB-CZ 3.46Å; F486-F488 HydrophobicContact CD1-CE1 4.27Å; F486-F488 HydrophobicContact CD1-CZ 4.22Å; F486-F488 HydrophobicContact CG-CE1 4.29Å; F486-F488 HydrophobicContact CG-CE2 4.22Å; F486-F488 AromaticContact CG-CZ 3.83Å; F486-F488 HydrophobicContact CG-CZ 3.83Å; F486-F488 PolarHBondContact O-N 3.42Å; F486-V1478 HydrophobicContact CD2-CG2 4.08Å; F486-V1478 HydrophobicContact CE2-CG2 4.24Å | ||
| 487 | A | 26.5 | Very low | 30.1 | Very low | 14 Ų | 14 | 67.3 Ų | 67.3 | 12% | 0.116 | 38% | 0.376 | C | S | . | . | trans | -61.1 | 86.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y132 Q155 L160 Q485 A489 | Y132-A487 HydrophobicContact CE1-CB 3.71Å; Y132-A487 HydrophobicContact CE2-CB 4.25Å; Y132-A487 VanDerWaalsContact CZ-CB 3.48Å; Y132-A487 WeakPolarHBondContact OH-CA 3.3Å; Y132-A487 VanDerWaalsContact OH-CB 3.3Å; Y132-A487 WeakPolarHBondContact OH-CB 3.43Å; Q155-A487 PolarHBondContact NE2-O 2.65Å; L160-A487 HydrophobicContact CD1-CB 4.25Å; L160-A487 HydrophobicContact CD2-CB 4.22Å; Q485-A487 VanDerWaalsContact C-N 3.31Å; Q485-A487 PolarHBondContact O-N 3.5Å; A487-A489 PolarHBondContact O-N 3.48Å | ||
| 488 | F | 30.8 | Very low | 30.3 | Very low | 57 Ų | 57 | 68.7 Ų | 68.7 | 25% | 0.25 | 38% | 0.383 | C | S | . | . | trans | -76.6 | 59 | 179 | -75.7 | -54.6 | 0 | 0 | 0 | 111.5 | R41 D44 V45 A48 W133 F486 G490 | R41-F488 VanDerWaalsContact CD-O 3.24Å; R41-F488 WeakPolarHBondContact CD-O 3.39Å; R41-F488 PolarHBondContact NH1-O 3.27Å; D44-F488 HydrophobicContact CB-CD1 4.1Å; V45-F488 HydrophobicContact CB-CE1 4.21Å; V45-F488 HydrophobicContact CG2-CD1 3.85Å; V45-F488 HydrophobicContact CG2-CE1 3.63Å; V45-F488 HydrophobicContact CG2-CE2 4.33Å; V45-F488 HydrophobicContact CG2-CG 4.32Å; V45-F488 HydrophobicContact CG2-CZ 3.88Å; A48-F488 HydrophobicContact CB-CE1 3.67Å; A48-F488 HydrophobicContact CB-CZ 4.46Å; W133-F488 HydrophobicContact CH2-CB 4.04Å; W133-F488 WeakPolarHBondContact CH2-O 3.24Å; W133-F488 HydrophobicContact CZ2-CB 4.24Å; F486-F488 HydrophobicContact CB-CD1 4.32Å; F486-F488 HydrophobicContact CB-CD2 3.84Å; F486-F488 HydrophobicContact CB-CE1 3.93Å; F486-F488 HydrophobicContact CB-CE2 3.41Å; F486-F488 VanDerWaalsContact CB-CE2 3.41Å; F486-F488 HydrophobicContact CB-CG 4.28Å; F486-F488 HydrophobicContact CB-CZ 3.46Å; F486-F488 VanDerWaalsContact CB-CZ 3.46Å; F486-F488 HydrophobicContact CD1-CE1 4.27Å; F486-F488 HydrophobicContact CD1-CZ 4.22Å; F486-F488 HydrophobicContact CG-CE1 4.29Å; F486-F488 HydrophobicContact CG-CE2 4.22Å; F486-F488 AromaticContact CG-CZ 3.83Å; F486-F488 HydrophobicContact CG-CZ 3.83Å; F486-F488 PolarHBondContact O-N 3.42Å; F488-G490 PolarHBondContact O-N 3.35Å | ||
| 489 | A | 33.3 | Very low | 30.5 | Very low | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -80 | 0.1 | -159.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R41 D44 Y132 K136 A487 F491 | R41-A489 PolarHBondContact NH1-O 2.7Å; D44-A489 PolarHBondContact OD2-N 2.91Å; D44-A489 VanDerWaalsContact OD2-N 3.13Å; Y132-A489 HydrophobicContact CE2-CB 3.66Å; K136-A489 WeakPolarHBondContact CE-O 3.37Å; K136-A489 PolarHBondContact NZ-O 3.3Å; A487-A489 PolarHBondContact O-N 3.48Å; A489-F491 HydrophobicContact CB-CD1 4.34Å; A489-F491 HydrophobicContact CB-CD2 4.22Å; A489-F491 HydrophobicContact CB-CE1 3.54Å; A489-F491 HydrophobicContact CB-CE2 3.41Å; A489-F491 VanDerWaalsContact CB-CE2 3.41Å; A489-F491 HydrophobicContact CB-CZ 3.07Å; A489-F491 VanDerWaalsContact O-CD1 3.27Å; A489-F491 WeakPolarHBondContact O-CD1 3.15Å; A489-F491 WeakPolarHBondContact O-CE1 3.42Å | ||
| 490 | G | 30.8 | Very low | 30.9 | Very low | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | trans | 57.4 | 76.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D44 K136 F488 | D44-G490 VanDerWaalsContact CG-N 3.35Å; D44-G490 PolarHBondContact OD2-N 2.93Å; K136-G490 PolarHBondContact NZ-O 3.48Å; F488-G490 PolarHBondContact O-N 3.35Å | ||
| 491 | F | 39.9 | Very low | 31.2 | Very low | 17 Ų | 17 | 64.6 Ų | 64.6 | 8% | 0.075 | 36% | 0.359 | C | S | . | . | trans | -109.4 | 90.7 | -154.4 | -68.2 | -55.1 | 0 | 0 | 0 | 115.3 | A153 Q155 L160 A489 | A153-F491 VanDerWaalsContact C-CE1 3.41Å; A153-F491 HydrophobicContact CB-CD1 3.72Å; A153-F491 HydrophobicContact CB-CE1 3.28Å; A153-F491 HydrophobicContact CB-CZ 4.21Å; A153-F491 WeakPolarHBondContact O-CB 3.48Å; A153-F491 WeakPolarHBondContact O-CD1 3.36Å; A153-F491 VanDerWaalsContact O-CG 3.26Å; A153-F491 WeakPolarHBondContact O-CG 3.33Å; Q155-F491 HydrophobicContact CB-CD2 4.49Å; Q155-F491 HydrophobicContact CB-CE2 3.66Å; Q155-F491 HydrophobicContact CB-CZ 4.4Å; Q155-F491 HydrophobicContact CG-CD2 4.06Å; Q155-F491 HydrophobicContact CG-CE2 3.56Å; L160-F491 HydrophobicContact CD2-CZ 4.47Å; A489-F491 HydrophobicContact CB-CD1 4.34Å; A489-F491 HydrophobicContact CB-CD2 4.22Å; A489-F491 HydrophobicContact CB-CE1 3.54Å; A489-F491 HydrophobicContact CB-CE2 3.41Å; A489-F491 VanDerWaalsContact CB-CE2 3.41Å; A489-F491 HydrophobicContact CB-CZ 3.07Å; A489-F491 VanDerWaalsContact O-CD1 3.27Å; A489-F491 WeakPolarHBondContact O-CD1 3.15Å; A489-F491 WeakPolarHBondContact O-CE1 3.42Å | ||
| 492 | S | 37.9 | Very low | 31.4 | Very low | 35 Ų | 35 | 63.5 Ų | 63.5 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | trans | -155.5 | 125.6 | 153.5 | -92.9 | 0 | 0 | 0 | 0 | 111.5 | E40 | E40-S492 WeakPolarHBondContact OE1-CB 3.42Å; E40-S492 PolarHBondContact OE1-OG 3.47Å | ||
| 493 | F | 34.3 | Very low | 31.5 | Very low | 80 Ų | 80 | 66.1 Ų | 66.1 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | trans | 47.2 | 125.1 | 158.8 | -58.8 | -86.1 | 0 | 0 | 0 | 121.1 | Y152 S495 | Y152-F493 HydrophobicContact CD1-CD1 4.32Å; Y152-F493 HydrophobicContact CD1-CE1 4.22Å; Y152-F493 AromaticContact CE1-CD1 3.83Å; Y152-F493 HydrophobicContact CE1-CD1 3.83Å; Y152-F493 AromaticContact CE1-CE1 3.54Å; Y152-F493 HydrophobicContact CE1-CE1 3.54Å; Y152-F493 HydrophobicContact CE1-CZ 4.38Å; F493-S495 VanDerWaalsContact C-N 3.32Å | ||
| 494 | S | 34.1 | Very low | 31.7 | Very low | 48 Ų | 48 | 70.2 Ų | 70.2 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -85 | 4.6 | 160 | 49.8 | 0 | 0 | 0 | 0 | 113.7 | L150 Y151 | L150-S494 PolarHBondContact O-OG 2.92Å; Y151-S494 PolarHBondContact O-OG 2.95Å |
| 495 | S | 33 | Very low | 31.8 | Very low | 66 Ų | 66 | 74.8 Ų | 74.8 | 46% | 0.462 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -113.5 | 127.7 | -176.7 | 65.3 | 0 | 0 | 0 | 0 | 112.9 | F493 H497 | F493-S495 VanDerWaalsContact C-N 3.32Å; S495-H497 PolarHBondContact O-N 2.96Å |
| 496 | T | 30.4 | Very low | 31.8 | Very low | 150 Ų | 150 | 75.1 Ų | 75.1 | 92% | 0.92 | 43% | 0.425 | S | S | * | . | trans | -74.3 | 51.7 | 179.6 | 44.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 497 | H | 31.8 | Very low | 31.6 | Very low | 118 Ų | 118 | 78.9 Ų | 78.9 | 55% | 0.546 | 45% | 0.447 | S | S | . | . | trans | -71.8 | 121.6 | -177 | -149.5 | -84.2 | 0 | 0 | 0 | 111.2 | S495 H499 H500 | S495-H497 PolarHBondContact O-N 2.96Å; H497-H499 AromaticContact CE1-CD2 3.89Å; H497-H499 AromaticContact ND1-CD2 3.75Å; H497-H499 PolarHBondContact O-N 2.81Å; H497-H500 PolarHBondContact O-N 2.72Å; H497-H500 VanDerWaalsContact O-N 3.16Å | ||
| 498 | P | 30.3 | Very low | 31.7 | Very low | 92 Ų | 92 | 86.8 Ų | 86.8 | 60% | 0.597 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -9.5 | -164.9 | 22.2 | -33.9 | 0 | 0 | 0 | 115.7 | ||
| 499 | H | 29.3 | Very low | 31.6 | Very low | 135 Ų | 135 | 90.1 Ų | 90.1 | 63% | 0.625 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.5 | -25.1 | 175.5 | -75.9 | -91.7 | 0 | 0 | 0 | 114 | H497 A502 | H497-H499 AromaticContact CE1-CD2 3.89Å; H497-H499 AromaticContact ND1-CD2 3.75Å; H497-H499 PolarHBondContact O-N 2.81Å; H499-A502 WeakPolarHBondContact O-CB 3.48Å; H499-A502 PolarHBondContact O-N 3.22Å |
| 500 | H | 33.8 | Very low | 31.2 | Very low | 91 Ų | 91 | 96.4 Ų | 96.4 | 42% | 0.421 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -75.2 | -31.4 | 177.5 | -77.7 | -99.3 | 0 | 0 | 0 | 112.6 | H497 A502 L503 L504 | H497-H500 PolarHBondContact O-N 2.72Å; H497-H500 VanDerWaalsContact O-N 3.16Å; H500-A502 PolarHBondContact O-N 2.81Å; H500-L503 PolarHBondContact O-N 3.47Å; H500-L504 PolarHBondContact O-N 3.11Å |
| 501 | L | 31.8 | Very low | 31 | Very low | 116 Ų | 116 | 102.3 Ų | 102.3 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64 | -28.1 | 169.8 | -88.7 | 163 | 0 | 0 | 0 | 112.5 | L503 N505 | L501-L503 VanDerWaalsContact C-N 3.34Å; L501-N505 PolarHBondContact O-N 2.76Å; L501-N505 PolarHBondContact O-ND2 2.92Å |
| 502 | A | 30.9 | Very low | 30.2 | Very low | 66 Ų | 66 | 109.1 Ų | 109.1 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.8 | -27.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H499 H500 | H499-A502 WeakPolarHBondContact O-CB 3.48Å; H499-A502 PolarHBondContact O-N 3.22Å; H500-A502 PolarHBondContact O-N 2.81Å |
| 503 | L | 29.6 | Very low | 29.5 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.9 | -41.7 | 175.6 | -79.7 | 161.6 | 0 | 0 | 0 | 112.1 | H500 L501 G506 | H500-L503 PolarHBondContact O-N 3.47Å; L501-L503 VanDerWaalsContact C-N 3.34Å; L503-G506 PolarHBondContact O-N 2.92Å |
| 504 | L | 30.5 | Very low | 29.1 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 60% | 0.602 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -70.3 | -29.4 | 179 | -74.5 | 167.2 | 0 | 0 | 0 | 113.4 | H500 G506 | H500-L504 PolarHBondContact O-N 3.11Å; L504-G506 VanDerWaalsContact C-N 3.31Å |
| 505 | N | 30.9 | Very low | 28.7 | Very low | 132 Ų | 132 | 122 Ų | 122 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 3.7 | 175.3 | -72.9 | -82.7 | 0 | 0 | 0 | 113.8 | L501 | L501-N505 PolarHBondContact O-N 2.76Å; L501-N505 PolarHBondContact O-ND2 2.92Å |
| 506 | G | 27.8 | Very low | 28.2 | Very low | 55 Ų | 55 | 125.9 Ų | 125.9 | 57% | 0.567 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -86.4 | -5.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L503 L504 | L503-G506 PolarHBondContact O-N 2.92Å; L504-G506 VanDerWaalsContact C-N 3.31Å |
| 507 | L | 26.3 | Very low | 27.9 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -133.2 | 133.8 | -169.8 | -66.3 | 169.2 | 0 | 0 | 0 | 111.7 | ||
| 508 | H | 28.3 | Very low | 27.5 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 73.7 | 72.1 | 175.8 | -55.1 | -84.6 | 0 | 0 | 0 | 119.1 | ||
| 509 | S | 28.5 | Very low | 27.2 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 88% | 0.881 | 72% | 0.723 | S | S | * | * | -178.8 | 154.2 | 108.3 | 40.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 510 | T | 25.1 | Very low | 26.9 | Very low | 133 Ų | 133 | 126 Ų | 126 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | trans | -86.2 | 179.8 | -173.8 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 511 | P | 27.7 | Very low | 26.5 | Very low | 124 Ų | 124 | 126 Ų | 126 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | cis | -145.3 | -151.1 | 17.3 | 45.1 | -22.3 | 0 | 0 | 0 | 116.9 | ||||
| 512 | L | 23.2 | Very low | 26.3 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -63.5 | 154 | -170.3 | -68.7 | 157.1 | 0 | 0 | 0 | 118 | ||||
| 513 | R | 22.5 | Very low | 26.1 | Very low | 249 Ų | 249 | 127 Ų | 127 | 94% | 0.94 | 76% | 0.761 | S | S | * | * | trans | 14 | 120 | 153.1 | -73.8 | -177.1 | 171.2 | -178.2 | -1.5 | 118.7 | ||||
| 514 | G | 25.6 | Very low | 26.1 | Very low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | -175.2 | 94.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 515 | S | 24.6 | Very low | 26 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | -58.3 | 143.8 | -175.6 | 51.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 516 | N | 24.1 | Very low | 25.9 | Very low | 146 Ų | 146 | 119.3 Ų | 119.3 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | 85.7 | 131.4 | 138 | -78.4 | -7.3 | 0 | 0 | 0 | 123 | ||||
| 517 | L | 23.8 | Very low | 26.1 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | 90.1 | 93.9 | 144.9 | -64.2 | 159.3 | 0 | 0 | 0 | 122.4 | ||||
| 518 | I | 23.2 | Very low | 26.3 | Very low | 154 Ų | 154 | 122.5 Ų | 122.5 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | 73.1 | 139.8 | 117.6 | -71.5 | 179.6 | 0 | 0 | 0 | 122.2 | |||||
| 519 | A | 24 | Very low | 26.3 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | trans | 85.6 | 105.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 520 | S | 23.9 | Very low | 26.3 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | trans | -34.3 | 150.2 | 149.1 | 52.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 521 | A | 24.9 | Very low | 26.5 | Very low | 91 Ų | 91 | 119 Ų | 119 | 75% | 0.752 | 70% | 0.7 | S | S | * | * | 176.5 | 121.5 | 112.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 522 | S | 26.5 | Very low | 26.6 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | 36 | 145.9 | 140.9 | 58.6 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 523 | S | 26.8 | Very low | 26.8 | Very low | 95 Ų | 95 | 117.3 Ų | 117.3 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | trans | 97.1 | 150.4 | 147.2 | -61.2 | 0 | 0 | 0 | 0 | 121.4 | R1668 | S523-R1668 PolarHBondContact O-NH1 3.43Š| ||
| 524 | S | 30.5 | Very low | 27.1 | Very low | 46 Ų | 46 | 108.8 Ų | 108.8 | 32% | 0.322 | 66% | 0.659 | S | S | . | * | trans | -51.5 | -176.8 | -157.8 | 41.3 | 0 | 0 | 0 | 0 | 119.6 | N1181 R1668 | S524-N1181 VanDerWaalsContact CB-OD1 3.32Å; S524-N1181 WeakPolarHBondContact CB-OD1 3.27Å; S524-R1668 PolarHBondContact O-NH1 3.16Å; S524-R1668 PolarHBondContact O-NH2 3.45Å | ||
| 525 | D | 28.4 | Very low | 27.4 | Very low | 56 Ų | 56 | 109.6 Ų | 109.6 | 30% | 0.299 | 64% | 0.644 | S | S | . | * | -165.1 | 0 | 52.9 | -55.8 | -71 | 0 | 0 | 0 | 113.1 | N1181 N1182 | D525-N1181 VanDerWaalsContact CA-ND2 3.29Å; D525-N1181 WeakPolarHBondContact CA-ND2 3.49Å; D525-N1181 WeakPolarHBondContact CA-OD1 3.33Å; D525-N1181 HydrophobicContact CB-CB 3.51Å; D525-N1181 VanDerWaalsContact CB-CG 3.41Å; D525-N1181 PolarHBondContact OD1-OD1 3.28Å; D525-N1182 HydrophobicContact CB-CB 3.26Å; D525-N1182 VanDerWaalsContact CB-CG 3.41Å; D525-N1182 PolarHBondContact O-ND2 3.3Å | |||
| 526 | L | 28.6 | Very low | 27.5 | Very low | 113 Ų | 113 | 106.7 Ų | 106.7 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | 0 | -136.1 | 0 | -38.9 | 168.4 | 0 | 0 | 0 | 125.6 | L1180 N1181 N1182 T1183 | L526-L1180 HydrophobicContact CD1-CD2 4Å; L526-N1181 VanDerWaalsContact CA-CB 3.41Å; L526-N1181 HydrophobicContact CB-CB 3.39Å; L526-N1181 WeakPolarHBondContact CB-ND2 3.17Å; L526-N1181 WeakPolarHBondContact CD1-ND2 3.45Å; L526-N1181 HydrophobicContact CG-CB 4.41Å; L526-N1181 WeakPolarHBondContact CG-ND2 3.32Å; L526-N1181 PolarHBondContact N-ND2 3.42Å; L526-N1182 WeakPolarHBondContact O-CB 3.44Å; L526-T1183 WeakPolarHBondContact O-CG2 3.31Å; L526-T1183 PolarHBondContact O-OG1 2.94Å | |||
| 527 | L | 31.5 | Very low | 27.8 | Very low | 99 Ų | 99 | 104.8 Ų | 104.8 | 52% | 0.518 | 61% | 0.614 | S | S | . | * | -116.8 | 164.2 | -92 | -131.6 | -164.7 | 0 | 0 | 0 | 118 | T1183 | L527-T1183 PolarHBondContact N-OG1 3.31Å; L527-T1183 VanDerWaalsContact N-OG1 3.14Å; L527-T1183 PolarHBondContact O-OG1 3.47Å | |||
| 528 | K | 30.6 | Very low | 28 | Very low | 161 Ų | 161 | 104.9 Ų | 104.9 | 70% | 0.7 | 61% | 0.608 | S | S | * | * | trans | 70.9 | 144.2 | 167.4 | -65 | -178.4 | 178.5 | 171.9 | 0 | 117.3 | ||||
| 529 | N | 28.8 | Very low | 28.5 | Very low | 132 Ų | 132 | 103.3 Ų | 103.3 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | cis | -158.1 | 174.1 | -8.3 | -125.9 | 32.2 | 0 | 0 | 0 | 110.6 | ||||
| 530 | S | 28.1 | Very low | 28.7 | Very low | 96 Ų | 96 | 105.9 Ų | 105.9 | 67% | 0.671 | 60% | 0.602 | S | S | * | * | trans | 64.4 | 151.5 | 161.4 | 60.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 531 | D | 29.4 | Very low | 28.9 | Very low | 138 Ų | 138 | 104.6 Ų | 104.6 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | cis | -167.6 | 161.8 | -28 | -93.8 | -39.7 | 0 | 0 | 0 | 106.9 | ||||
| 532 | D | 29.9 | Very low | 29.1 | Very low | 141 Ų | 141 | 106.2 Ų | 106.2 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | trans | 63 | 156.7 | 161.1 | -73 | -36.8 | 0 | 0 | 0 | 120 | ||||
| 533 | N | 28 | Very low | 29.1 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 58% | 0.583 | 60% | 0.597 | S | S | * | * | cis | -165.4 | 151.2 | -41.9 | -136.9 | -48.1 | 0 | 0 | 0 | 111.3 | ||||
| 534 | N | 28.4 | Very low | 29.2 | Very low | 70 Ų | 70 | 110 Ų | 110 | 37% | 0.374 | 60% | 0.598 | S | S | . | * | trans | 62 | 115.2 | 156.9 | -56.6 | -60 | 0 | 0 | 0 | 123.5 | S1709 | N534-S1709 WeakPolarHBondContact CB-OG 3.21Å; N534-S1709 PolarHBondContact OD1-OG 3.34Å | ||
| 535 | N | 30.9 | Very low | 29 | Very low | 98 Ų | 98 | 113.6 Ų | 113.6 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | 52.2 | 143.6 | 123 | -65.5 | -43.1 | 0 | 0 | 0 | 121.8 | S1709 S1710 | N535-S1709 PolarHBondContact ND2-OG 3.32Å; N535-S1710 WeakPolarHBondContact CB-OG 3.46Å | |||
| 536 | S | 28.5 | Very low | 28.9 | Very low | 43 Ų | 43 | 116.7 Ų | 116.7 | 30% | 0.301 | 62% | 0.624 | S | S | . | * | -173.3 | 151.1 | 52 | 63.2 | 0 | 0 | 0 | 0 | 118.2 | S1710 H1711 | S536-S1710 WeakPolarHBondContact CB-OG 3.29Å; S536-H1711 VanDerWaalsContact CB-O 3.27Å; S536-H1711 WeakPolarHBondContact CB-O 3.43Å; S536-H1711 VanDerWaalsContact OG-CB 3.24Å; S536-H1711 WeakPolarHBondContact OG-CB 3.3Å | |||
| 537 | N | 29.8 | Very low | 28.7 | Very low | 107 Ų | 107 | 115.4 Ų | 115.4 | 57% | 0.572 | 62% | 0.624 | S | S | * | * | trans | 28.7 | 134.3 | 138.7 | -62 | -36.7 | 0 | 0 | 0 | 122.9 | H1711 | N537-H1711 PolarHBondContact ND2-O 2.93Š| ||
| 538 | K | 28.4 | Very low | 28.5 | Very low | 142 Ų | 142 | 118 Ų | 118 | 62% | 0.617 | 64% | 0.636 | S | S | * | * | -160.5 | 134.3 | 117.4 | -130.3 | -169.6 | 163.8 | -109 | 0 | 116.9 | |||||
| 539 | L | 32.1 | Very low | 28.1 | Very low | 121 Ų | 121 | 115.3 Ų | 115.3 | 63% | 0.634 | 63% | 0.629 | S | S | * | * | trans | -98.5 | -171.4 | 157.7 | -65.6 | 88.4 | 0 | 0 | 0 | 108.7 | ||||
| 540 | D | 29.8 | Very low | 28.1 | Very low | 141 Ų | 141 | 117.2 Ų | 117.2 | 75% | 0.754 | 63% | 0.633 | S | S | * | * | cis | -155.7 | 157.4 | 21.3 | -69.1 | -84.1 | 0 | 0 | 0 | 110.7 | ||||
| 541 | A | 28.3 | Very low | 27.9 | Very low | 90 Ų | 90 | 118 Ų | 118 | 74% | 0.744 | 63% | 0.626 | S | S | * | * | trans | -157.6 | 117.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 542 | V | 27.4 | Very low | 27.8 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 76% | 0.758 | 63% | 0.631 | S | S | * | * | 76.2 | 123.4 | 69.7 | 163.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 543 | Q | 27.4 | Very low | 27.5 | Very low | 152 Ų | 152 | 116.6 Ų | 116.6 | 71% | 0.71 | 61% | 0.609 | S | S | * | * | cis | -169.3 | 179.1 | 7.3 | -125.5 | 179.4 | -15 | 0 | 0 | 112.5 | ||||
| 544 | L | 29.3 | Very low | 27.3 | Very low | 131 Ų | 131 | 117.7 Ų | 117.7 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | trans | 48.9 | 113.5 | 147.5 | -63.1 | 163.5 | 0 | 0 | 0 | 118.3 | ||||
| 545 | D | 25 | Very low | 27.2 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 64% | 0.642 | 61% | 0.609 | S | S | * | * | 78.9 | 147.2 | 50.2 | -164.4 | 32.6 | 0 | 0 | 0 | 114.9 | |||||
| 546 | K | 27.8 | Very low | 27.1 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 53% | 0.526 | 61% | 0.614 | S | S | . | * | trans | -96.4 | 114.7 | -168.6 | -62.8 | 160.3 | -174.6 | 169.9 | 0 | 109.3 | Y1344 | K546-Y1344 HydrophobicContact CB-CD2 4.27Å; K546-Y1344 VanDerWaalsContact O-CD2 3.27Å; K546-Y1344 WeakPolarHBondContact O-CD2 3.47Å | ||
| 547 | S | 24.2 | Very low | 27 | Very low | 86 Ų | 86 | 120 Ų | 120 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | trans | -142.4 | 152.8 | 155.3 | -147.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 548 | M | 25.8 | Very low | 26.9 | Very low | 155 Ų | 155 | 120.7 Ų | 120.7 | 76% | 0.764 | 62% | 0.619 | S | S | * | * | trans | 68 | 144.3 | -175.4 | -62.9 | -178.7 | 58 | 0 | 0 | 118.4 | ||||
| 549 | N | 23.8 | Very low | 27 | Very low | 104 Ų | 104 | 118.5 Ų | 118.5 | 56% | 0.556 | 61% | 0.614 | S | S | * | * | cis | -167.6 | 125.1 | -39.1 | -131.3 | -28.3 | 0 | 0 | 0 | 108.9 | ||||
| 550 | H | 28.1 | Very low | 26.8 | Very low | 171 Ų | 171 | 116.7 Ų | 116.7 | 79% | 0.792 | 61% | 0.61 | S | S | * | * | trans | -162.9 | 109.2 | 143.5 | -118.3 | -67.8 | 0 | 0 | 0 | 112.4 | ||||
| 551 | Q | 24.6 | Very low | 26.8 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 52% | 0.523 | 62% | 0.617 | S | S | . | * | trans | -82.5 | 125.5 | 166 | -62.6 | 179.2 | -67.2 | 0 | 0 | 109.9 | Q553 N1120 | Q551-Q553 HydrophobicContact CB-CG 4.29Å; Q551-N1120 PolarHBondContact NE2-OD1 3.03Å | ||
| 552 | F | 25.8 | Very low | 26.7 | Very low | 190 Ų | 190 | 123.4 Ų | 123.4 | 83% | 0.833 | 62% | 0.624 | S | S | * | * | trans | -155.7 | 74.8 | 153 | -99.5 | -77 | 0 | 0 | 0 | 104.9 | ||||
| 553 | Q | 23.6 | Very low | 26.8 | Very low | 61 Ų | 61 | 123 Ų | 123 | 29% | 0.285 | 63% | 0.627 | S | S | . | * | 48 | 96 | 82.6 | -61.8 | -155.5 | 12.1 | 0 | 0 | 113.3 | Q551 N1119 N1120 | Q551-Q553 HydrophobicContact CB-CG 4.29Å; Q553-N1119 PolarHBondContact NE2-OD1 3.4Å; Q553-N1120 PolarHBondContact NE2-OD1 3.45Å | |||
| 554 | E | 23.8 | Very low | 26.7 | Very low | 131 Ų | 131 | 123 Ų | 123 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | -161.3 | 78.4 | 129.3 | -110.3 | 170 | -133.8 | 0 | 0 | 111.6 | T1116 N1117 | E554-T1116 VanDerWaalsContact CD-C 3.43Å; E554-T1116 WeakPolarHBondContact OE1-CA 3.09Å; E554-T1116 PolarHBondContact OE1-N 2.93Å; E554-T1116 VanDerWaalsContact OE1-N 3.11Å; E554-N1117 PolarHBondContact OE1-N 3.41Å; E554-N1117 VanDerWaalsContact OE1-N 3.15Å | |||
| 555 | N | 27.5 | Very low | 26.7 | Very low | 66 Ų | 66 | 123.1 Ų | 123.1 | 35% | 0.353 | 63% | 0.632 | S | S | . | * | 42.5 | 109.3 | 116.4 | -164.4 | 5.4 | 0 | 0 | 0 | 118.4 | N1117 I1118 | N555-N1117 WeakPolarHBondContact CB-O 3.24Å; N555-N1117 PolarHBondContact ND2-O 3.22Å; N555-I1118 WeakPolarHBondContact CB-O 3.46Å; N555-I1118 WeakPolarHBondContact ND2-CB 3.04Å; N555-I1118 WeakPolarHBondContact ND2-CG2 3.37Å | |||
| 556 | K | 28.4 | Very low | 26.8 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 63% | 0.63 | 65% | 0.646 | S | S | * | * | 175.3 | 116.3 | 111.1 | -94.3 | 174.5 | -167.7 | -166.3 | 0 | 115.4 | N1427 | K556-N1427 WeakPolarHBondContact CE-OD1 3.29Å; K556-N1427 PolarHBondContact NZ-OD1 2.89Å | |||
| 557 | C | 27.1 | Very low | 26.8 | Very low | 48 Ų | 48 | 125.7 Ų | 125.7 | 32% | 0.324 | 65% | 0.647 | S | S | . | * | trans | 17.6 | 120.1 | 130.2 | -171 | 0 | 0 | 0 | 0 | 120 | E1431 | C557-E1431 WeakPolarHBondContact CA-OE1 3.36Å; C557-E1431 HydrophobicContact CB-CG 3.92Å; C557-E1431 VanDerWaalsContact CB-OE1 3.29Å; C557-E1431 WeakPolarHBondContact CB-OE1 3.4Å; C557-E1431 PolarHBondContact N-OE1 3.44Å | ||
| 558 | D | 27.5 | Very low | 27 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 65% | 0.652 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -65.5 | 142.7 | 163.8 | -59.3 | -86.3 | 0 | 0 | 0 | 114.3 | I1430 | D558-I1430 PolarHBondContact O-N 3.02Š|
| 559 | N | 29.3 | Very low | 27.2 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | trans | 163.6 | -8.7 | 130.1 | -93.7 | -4.4 | 0 | 0 | 0 | 115.7 | K561 S1428 T1429 I1430 | N559-K561 PolarHBondContact O-N 2.89Å; N559-K561 VanDerWaalsContact O-N 3.13Å; N559-S1428 WeakPolarHBondContact CB-O 3.26Å; N559-T1429 WeakPolarHBondContact CB-O 3.5Å; N559-T1429 PolarHBondContact ND2-O 3.4Å; N559-I1430 WeakPolarHBondContact ND2-CB 3.36Å; N559-I1430 PolarHBondContact ND2-N 3.24Å | ||
| 560 | C | 27.6 | Very low | 27.4 | Very low | 82 Ų | 82 | 123 Ų | 123 | 55% | 0.554 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 15.6 | -167.1 | -58.7 | 0 | 0 | 0 | 0 | 117.9 | ||
| 561 | K | 30.2 | Very low | 27.8 | Very low | 204 Ų | 204 | 119.9 Ų | 119.9 | 89% | 0.887 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 5.4 | -169.2 | -96.7 | -174.9 | 177.3 | -179.5 | 0 | 119.7 | N559 | N559-K561 PolarHBondContact O-N 2.89Å; N559-K561 VanDerWaalsContact O-N 3.13Å |
| 562 | N | 27.3 | Very low | 28.2 | Very low | 169 Ų | 169 | 117.8 Ų | 117.8 | 90% | 0.904 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -94.6 | 14.4 | -176.3 | -112.9 | -17.7 | 0 | 0 | 0 | 116.2 | ||
| 563 | S | 28 | Very low | 28.9 | Very low | 115 Ų | 115 | 111.5 Ų | 111.5 | 80% | 0.804 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -128.7 | -5.4 | -166.6 | -68 | 0 | 0 | 0 | 0 | 118.2 | ||
| 564 | L | 26.5 | Very low | 29.5 | Very low | 153 Ų | 153 | 111.5 Ų | 111.5 | 80% | 0.801 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -125.8 | 132.6 | 179.5 | -111.6 | 76.8 | 0 | 0 | 0 | 112 | ||
| 565 | L | 28.4 | Very low | 30 | Very low | 134 Ų | 134 | 110.1 Ų | 110.1 | 70% | 0.702 | 61% | 0.609 | S | S | * | * | trans | 63.3 | 99.6 | 172.4 | -52.7 | 167.4 | 0 | 0 | 0 | 115.7 | S567 | L565-S567 WeakPolarHBondContact CD2-OG 2.93Š| ||
| 566 | K | 28.7 | Very low | 30.6 | Very low | 217 Ų | 217 | 114.2 Ų | 114.2 | 94% | 0.943 | 62% | 0.623 | S | S | * | * | cis | 55.9 | 28.9 | -12.2 | -83.1 | -175 | 178.4 | 172.8 | 0 | 120.3 | ||||
| 567 | S | 27.3 | Very low | 30.9 | Very low | 77 Ų | 77 | 114.7 Ų | 114.7 | 54% | 0.538 | 63% | 0.632 | S | S | . | * | trans | -176.5 | 110.9 | 150.9 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | L565 | L565-S567 WeakPolarHBondContact CD2-OG 2.93Š| ||
| 568 | N | 28.5 | Very low | 31.4 | Very low | 149 Ų | 149 | 118.6 Ų | 118.6 | 80% | 0.797 | 65% | 0.648 | S | S | * | * | trans | 167.8 | 142 | 148.5 | -87.3 | -25.2 | 0 | 0 | 0 | 108.1 | ||||
| 569 | G | 28.8 | Very low | 31.8 | Very low | 50 Ų | 50 | 119.4 Ų | 119.4 | 52% | 0.515 | 65% | 0.651 | S | S | . | * | cis | 154.9 | 56.9 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V571 | G569-V571 PolarHBondContact O-N 3.17Å; G569-V571 VanDerWaalsContact O-N 3.13Å | ||
| 570 | D | 29.4 | Very low | 32 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 49% | 0.487 | 66% | 0.661 | S | S | . | * | trans | -17.6 | 99.9 | -174.9 | 179.9 | 12.2 | 0 | 0 | 0 | 116.1 | S572 S573 I574 | D570-S572 PolarHBondContact O-N 2.82Å; D570-S572 WeakPolarHBondContact OD1-CA 3.19Å; D570-S572 WeakPolarHBondContact OD1-CB 3.31Å; D570-S572 PolarHBondContact OD1-N 3.25Å; D570-S573 PolarHBondContact O-N 3.03Å; D570-S573 PolarHBondContact OD1-N 3.48Å; D570-S573 WeakPolarHBondContact OD2-CB 3.5Å; D570-S573 PolarHBondContact OD2-N 3.19Å; D570-S573 PolarHBondContact OD2-OG 2.98Å; D570-I574 PolarHBondContact O-N 3.49Å | ||
| 571 | V | 35.1 | Very low | 32.2 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.4 | -24.5 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | G569 I574 | G569-V571 PolarHBondContact O-N 3.17Å; G569-V571 VanDerWaalsContact O-N 3.13Å; V571-I574 PolarHBondContact O-N 3.39Å |
| 572 | S | 34.4 | Very low | 32.1 | Very low | 68 Ų | 68 | 124 Ų | 124 | 48% | 0.476 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -69.2 | -33.9 | 174.8 | -163.8 | 0 | 0 | 0 | 0 | 112 | D570 | D570-S572 PolarHBondContact O-N 2.82Å; D570-S572 WeakPolarHBondContact OD1-CA 3.19Å; D570-S572 WeakPolarHBondContact OD1-CB 3.31Å; D570-S572 PolarHBondContact OD1-N 3.25Å |
| 573 | S | 40.2 | Very low | 32.5 | Very low | 57 Ų | 57 | 123.3 Ų | 123.3 | 40% | 0.399 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -73.4 | -27.9 | 174.2 | -76.3 | 0 | 0 | 0 | 0 | 113.3 | D570 K576 | D570-S573 PolarHBondContact O-N 3.03Å; D570-S573 PolarHBondContact OD1-N 3.48Å; D570-S573 WeakPolarHBondContact OD2-CB 3.5Å; D570-S573 PolarHBondContact OD2-N 3.19Å; D570-S573 PolarHBondContact OD2-OG 2.98Å; S573-K576 PolarHBondContact O-N 3.13Å |
| 574 | I | 35.9 | Very low | 32.6 | Very low | 62 Ų | 62 | 125.6 Ų | 125.6 | 32% | 0.318 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.3 | -40.8 | 178.7 | -65.1 | 175.4 | 0 | 0 | 0 | 111.4 | D570 V571 K576 | D570-I574 PolarHBondContact O-N 3.49Å; V571-I574 PolarHBondContact O-N 3.39Å; I574-K576 PolarHBondContact O-N 2.85Å |
| 575 | N | 35.2 | Very low | 32.9 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | -13.4 | 179.4 | -75.5 | -9.2 | 0 | 0 | 0 | 114 | ||
| 576 | K | 38.5 | Very low | 33.2 | Very low | 152 Ų | 152 | 124.6 Ų | 124.6 | 66% | 0.661 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -9.9 | -177.6 | -74.9 | 171.1 | -179.1 | 160.2 | 0 | 114.8 | S573 I574 | S573-K576 PolarHBondContact O-N 3.13Å; I574-K576 PolarHBondContact O-N 2.85Å |
| 577 | L | 34.6 | Very low | 33.3 | Very low | 155 Ų | 155 | 122.2 Ų | 122.2 | 81% | 0.812 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -97.6 | -4.8 | -176.1 | -81.1 | 164.8 | 0 | 0 | 0 | 115 | ||
| 578 | I | 37.7 | Very low | 33.6 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 66% | 0.662 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -98 | -13.6 | -167.5 | -66.1 | 174.1 | 0 | 0 | 0 | 113.5 | ||
| 579 | I | 36.1 | Very low | 34.2 | Very low | 140 Ų | 140 | 121.6 Ų | 121.6 | 72% | 0.718 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -100.5 | -13.4 | -166.3 | -68 | 175.7 | 0 | 0 | 0 | 114.6 | ||
| 580 | N | 32.8 | Very low | 35.1 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -130.1 | 79.9 | -173.2 | -75.4 | -47.6 | 0 | 0 | 0 | 114.1 | ||
| 581 | N | 32.8 | Very low | 35.8 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 87% | 0.866 | 67% | 0.674 | S | S | * | * | trans | 177.1 | 92.9 | 131.7 | -95.8 | -52 | 0 | 0 | 0 | 111.1 | ||||
| 582 | E | 28.9 | Very low | 36.3 | Very low | 181 Ų | 181 | 126.6 Ų | 126.6 | 85% | 0.846 | 67% | 0.674 | S | S | * | * | trans | -72.3 | 136.5 | 153.6 | -56.3 | 171.4 | 131.7 | 0 | 0 | 108.1 | ||||
| 583 | N | 34.3 | Very low | 37.1 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | 176.1 | 97.9 | 146.3 | -98.2 | -62 | 0 | 0 | 0 | 112.4 | ||||
| 584 | E | 31.7 | Very low | 37.5 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | trans | 29.2 | 132 | 139.1 | -66 | -156.3 | 165.2 | 0 | 0 | 124.6 | ||||
| 585 | N | 31.2 | Very low | 38.4 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | trans | 90.2 | 143.3 | 134.7 | -77.8 | -43 | 0 | 0 | 0 | 122.6 | ||||
| 586 | V | 36 | Very low | 39.6 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | trans | 81.5 | 92.6 | 170.1 | -165.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 587 | M | 29.6 | Very low | 40.5 | Very low | 167 Ų | 167 | 122.2 Ų | 122.2 | 82% | 0.823 | 65% | 0.651 | S | S | * | * | trans | 57.1 | 134.2 | 140.4 | -56.6 | -64 | -157.5 | 0 | 0 | 120.7 | ||||
| 588 | D | 34.8 | Very low | 41.7 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 66% | 0.663 | 64% | 0.635 | S | S | * | * | cis | -162.1 | 166.2 | -12.8 | -160.9 | -6.7 | 0 | 0 | 0 | 109 | N590 | D588-N590 VanDerWaalsContact C-N 3.27Å; D588-N590 PolarHBondContact O-N 2.99Å | ||
| 589 | S | 40.9 | Very low | 43 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 63% | 0.629 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 62.9 | -34.7 | 173.4 | 72 | 0 | 0 | 0 | 0 | 119.7 | ||
| 590 | N | 46.3 | Very low | 44.4 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 58% | 0.583 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -82 | -17 | -170 | -80 | -47.4 | 0 | 0 | 0 | 115.7 | D588 V592 | D588-N590 VanDerWaalsContact C-N 3.27Å; D588-N590 PolarHBondContact O-N 2.99Å; N590-V592 PolarHBondContact O-N 3.25Å |
| 591 | I | 44.2 | Very low | 46 | Very low | 136 Ų | 136 | 110 Ų | 110 | 70% | 0.697 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.2 | -32.1 | -172.8 | -62.6 | 173.9 | 0 | 0 | 0 | 112.3 | N593 H594 A595 | I591-N593 VanDerWaalsContact C-N 3.26Å; I591-N593 PolarHBondContact O-N 2.78Å; I591-H594 PolarHBondContact O-N 2.9Å; I591-H594 VanDerWaalsContact O-N 3.1Å; I591-A595 PolarHBondContact O-N 2.97Å |
| 592 | V | 47.3 | Very low | 47.7 | Very low | 105 Ų | 105 | 104.6 Ų | 104.6 | 64% | 0.636 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60 | -34.6 | -176.4 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | N590 K596 | N590-V592 PolarHBondContact O-N 3.25Å; V592-K596 WeakPolarHBondContact O-CB 3.49Å; V592-K596 PolarHBondContact O-N 3.12Å |
| 593 | N | 51.1 | Low | 49.7 | Very low | 92 Ų | 92 | 97.7 Ų | 97.7 | 49% | 0.492 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.9 | -32.8 | 179.6 | -68.7 | -24.6 | 0 | 0 | 0 | 112.4 | I591 C597 | I591-N593 VanDerWaalsContact C-N 3.26Å; I591-N593 PolarHBondContact O-N 2.78Å; N593-C597 PolarHBondContact O-N 3.44Å; N593-C597 VanDerWaalsContact O-N 3.08Å; N593-C597 PolarHBondContact O-SG 3.32Å; N593-C597 VanDerWaalsContact O-SG 3.38Å |
| 594 | H | 47.7 | Very low | 51.4 | Low | 90 Ų | 90 | 91.3 Ų | 91.3 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.6 | -52.4 | 179.2 | -156 | -81.2 | 0 | 0 | 0 | 111 | I591 K596 C597 E598 | I591-H594 PolarHBondContact O-N 2.9Å; I591-H594 VanDerWaalsContact O-N 3.1Å; H594-K596 VanDerWaalsContact C-N 3.26Å; H594-K596 PolarHBondContact O-N 3.1Å; H594-C597 PolarHBondContact O-N 3.47Å; H594-C597 VanDerWaalsContact O-N 3.12Å; H594-E598 IonicContact CE1-OE1 3.69Å; H594-E598 PolarHBondContact CE1-OE1 3.22Å; H594-E598 IonicContact CE1-OE2 2.84Å; H594-E598 IonicContact ND1-OE1 3.82Å; H594-E598 PolarHBondContact ND1-OE1 2.74Å; H594-E598 IonicContact ND1-OE2 3.17Å; H594-E598 PolarHBondContact ND1-OE2 3.08Å; H594-E598 VanDerWaalsContact ND1-OE2 3.07Å; H594-E598 PolarHBondContact O-N 3.06Å |
| 595 | A | 55.5 | Low | 53.2 | Low | 56 Ų | 56 | 89.2 Ų | 89.2 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -34.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I591 S599 | I591-A595 PolarHBondContact O-N 2.97Å; A595-S599 WeakPolarHBondContact O-CB 3.27Å; A595-S599 PolarHBondContact O-N 3.31Å |
| 596 | K | 60.3 | Low | 55.3 | Low | 92 Ų | 92 | 87.4 Ų | 87.4 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 174.8 | -169 | 171.9 | -179.8 | 176.9 | 0 | 111.8 | V592 H594 S599 Q600 N1011 | V592-K596 WeakPolarHBondContact O-CB 3.49Å; V592-K596 PolarHBondContact O-N 3.12Å; H594-K596 VanDerWaalsContact C-N 3.26Å; H594-K596 PolarHBondContact O-N 3.1Å; K596-S599 PolarHBondContact O-N 2.99Å; K596-Q600 WeakPolarHBondContact O-CG 3.26Å; K596-Q600 PolarHBondContact O-N 3.38Å; K596-Q600 PolarHBondContact O-OE1 3.24Å; K596-N1011 PolarHBondContact NZ-OD1 2.74Å |
| 597 | C | 56.6 | Low | 56.9 | Low | 20 Ų | 20 | 86 Ų | 86 | 14% | 0.135 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.8 | -40 | 174 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | N593 H594 Q600 L601 | N593-C597 PolarHBondContact O-N 3.44Å; N593-C597 VanDerWaalsContact O-N 3.08Å; N593-C597 PolarHBondContact O-SG 3.32Å; N593-C597 VanDerWaalsContact O-SG 3.38Å; H594-C597 PolarHBondContact O-N 3.47Å; H594-C597 VanDerWaalsContact O-N 3.12Å; C597-Q600 PolarHBondContact O-N 3.23Å; C597-L601 WeakPolarHBondContact O-CB 3.43Å; C597-L601 WeakPolarHBondContact O-CG 3.32Å; C597-L601 PolarHBondContact O-N 2.8Å |
| 598 | E | 59.2 | Low | 59 | Low | 102 Ų | 102 | 79.7 Ų | 79.7 | 48% | 0.477 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 176.8 | -73.2 | 168 | 145 | 0 | 0 | 112 | H594 L601 A602 | H594-E598 IonicContact CE1-OE1 3.69Å; H594-E598 PolarHBondContact CE1-OE1 3.22Å; H594-E598 IonicContact CE1-OE2 2.84Å; H594-E598 IonicContact ND1-OE1 3.82Å; H594-E598 PolarHBondContact ND1-OE1 2.74Å; H594-E598 IonicContact ND1-OE2 3.17Å; H594-E598 PolarHBondContact ND1-OE2 3.08Å; H594-E598 VanDerWaalsContact ND1-OE2 3.07Å; H594-E598 PolarHBondContact O-N 3.06Å; E598-L601 PolarHBondContact O-N 3.07Å; E598-A602 PolarHBondContact O-N 3.39Å |
| 599 | S | 65.9 | Low | 60.8 | Low | 84 Ų | 84 | 79 Ų | 79 | 59% | 0.587 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 112.7 | A595 K596 A602 G603 | A595-S599 WeakPolarHBondContact O-CB 3.27Å; A595-S599 PolarHBondContact O-N 3.31Å; K596-S599 PolarHBondContact O-N 2.99Å; S599-A602 PolarHBondContact O-N 2.78Å; S599-G603 PolarHBondContact O-N 3.44Å |
| 600 | Q | 64.9 | Low | 62.4 | Low | 91 Ų | 91 | 78.7 Ų | 78.7 | 43% | 0.425 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 175.7 | -70.7 | 176.4 | -74.3 | 0 | 0 | 112 | K596 C597 A602 G603 L604 L906 | K596-Q600 WeakPolarHBondContact O-CG 3.26Å; K596-Q600 PolarHBondContact O-N 3.38Å; K596-Q600 PolarHBondContact O-OE1 3.24Å; C597-Q600 PolarHBondContact O-N 3.23Å; Q600-A602 VanDerWaalsContact C-N 3.33Å; Q600-A602 PolarHBondContact O-N 3.14Å; Q600-G603 PolarHBondContact O-N 3.37Å; Q600-L604 WeakPolarHBondContact O-CB 3.27Å; Q600-L604 WeakPolarHBondContact O-CG 2.87Å; Q600-L604 PolarHBondContact O-N 3.07Å; Q600-L906 HydrophobicContact CB-CD1 4.2Å |
| 601 | L | 66.4 | Low | 63.5 | Low | 26 Ų | 26 | 73.5 Ų | 73.5 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.5 | -32.8 | 174.3 | -76.6 | 166.5 | 0 | 0 | 0 | 112.6 | C597 E598 R605 V903 L906 L910 | C597-L601 WeakPolarHBondContact O-CB 3.43Å; C597-L601 WeakPolarHBondContact O-CG 3.32Å; C597-L601 PolarHBondContact O-N 2.8Å; E598-L601 PolarHBondContact O-N 3.07Å; L601-R605 WeakPolarHBondContact O-CB 3.03Å; L601-R605 WeakPolarHBondContact O-CD 3.37Å; L601-R605 WeakPolarHBondContact O-CG 3.38Å; L601-R605 PolarHBondContact O-N 3.14Å; L601-V903 HydrophobicContact CD2-CG1 4.45Å; L601-L906 HydrophobicContact CD2-CB 3.92Å; L601-L906 HydrophobicContact CD2-CD1 4.17Å; L601-L906 HydrophobicContact CG-CB 4.42Å; L601-L906 HydrophobicContact CG-CD1 4.33Å; L601-L910 HydrophobicContact CD1-CD2 4.42Å |
| 602 | A | 68.8 | Low | 64.9 | Low | 49 Ų | 49 | 71 Ų | 71 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69 | -46.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E598 S599 Q600 L604 R605 I606 | E598-A602 PolarHBondContact O-N 3.39Å; S599-A602 PolarHBondContact O-N 2.78Å; Q600-A602 VanDerWaalsContact C-N 3.33Å; Q600-A602 PolarHBondContact O-N 3.14Å; A602-L604 VanDerWaalsContact C-N 3.34Å; A602-L604 PolarHBondContact O-N 3.43Å; A602-R605 WeakPolarHBondContact O-CB 3.37Å; A602-R605 PolarHBondContact O-N 3.11Å; A602-I606 PolarHBondContact O-N 3.1Å |
| 603 | G | 71.9 | Confident | 66.2 | Low | 36 Ų | 36 | 68.1 Ų | 68.1 | 37% | 0.371 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | S599 Q600 I606 Q607 | S599-G603 PolarHBondContact O-N 3.44Å; Q600-G603 PolarHBondContact O-N 3.37Å; G603-I606 PolarHBondContact O-N 3.46Å; G603-Q607 WeakPolarHBondContact O-CG 3.41Å; G603-Q607 PolarHBondContact O-N 3.31Å |
| 604 | L | 69.7 | Low | 67.3 | Low | 20 Ų | 20 | 67.8 Ų | 67.8 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -76.9 | -22.9 | 176.5 | -72.9 | 166.7 | 0 | 0 | 0 | 113.6 | Q600 A602 L608 E902 V903 L906 | Q600-L604 WeakPolarHBondContact O-CB 3.27Å; Q600-L604 WeakPolarHBondContact O-CG 2.87Å; Q600-L604 PolarHBondContact O-N 3.07Å; A602-L604 VanDerWaalsContact C-N 3.34Å; A602-L604 PolarHBondContact O-N 3.43Å; L604-L608 WeakPolarHBondContact O-CB 3.34Å; L604-L608 PolarHBondContact O-N 2.94Å; L604-E902 HydrophobicContact CD1-CB 4.02Å; L604-E902 HydrophobicContact CD2-CB 4.22Å; L604-E902 VanDerWaalsContact CD2-OE2 3.23Å; L604-E902 WeakPolarHBondContact CD2-OE2 3.12Å; L604-V903 HydrophobicContact CB-CG2 3.81Å; L604-L906 HydrophobicContact CD1-CD1 3.4Å; L604-L906 VanDerWaalsContact CD1-CD1 3.4Å |
| 605 | R | 69.8 | Low | 68.4 | Low | 120 Ų | 120 | 63.7 Ų | 63.7 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.8 | -49.5 | 164.7 | -81.8 | 166.1 | 179 | -103.9 | 12.8 | 110.5 | L601 A602 Q607 L608 E609 | L601-R605 WeakPolarHBondContact O-CB 3.03Å; L601-R605 WeakPolarHBondContact O-CD 3.37Å; L601-R605 WeakPolarHBondContact O-CG 3.38Å; L601-R605 PolarHBondContact O-N 3.14Å; A602-R605 WeakPolarHBondContact O-CB 3.37Å; A602-R605 PolarHBondContact O-N 3.11Å; R605-Q607 VanDerWaalsContact C-N 3.3Å; R605-Q607 PolarHBondContact O-N 3.23Å; R605-L608 CarbonylContact O-C 3.39Å; R605-L608 WeakPolarHBondContact O-CA 3.31Å; R605-L608 PolarHBondContact O-N 3.28Å; R605-E609 VanDerWaalsContact O-CB 3.25Å; R605-E609 WeakPolarHBondContact O-CB 3.39Å; R605-E609 WeakPolarHBondContact O-CG 3.3Å; R605-E609 PolarHBondContact O-N 3.48Å |
| 606 | I | 75.4 | Confident | 69.3 | Low | 100 Ų | 100 | 64.6 Ų | 64.6 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 176.3 | -61.9 | 169 | 0 | 0 | 0 | 110.5 | A602 G603 L608 E609 D610 | A602-I606 PolarHBondContact O-N 3.1Å; G603-I606 PolarHBondContact O-N 3.46Å; I606-L608 VanDerWaalsContact C-N 3.35Å; I606-L608 PolarHBondContact O-N 3.27Å; I606-E609 CarbonylContact O-C 3.11Å; I606-E609 PolarHBondContact O-N 2.96Å; I606-D610 WeakPolarHBondContact O-CB 3.38Å; I606-D610 PolarHBondContact O-N 3.39Å |
| 607 | Q | 69 | Low | 70 | Confident | 96 Ų | 96 | 62 Ų | 62 | 45% | 0.449 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.1 | -26.4 | 174.1 | -72.9 | -171.7 | -29.3 | 0 | 0 | 114 | G603 R605 A611 | G603-Q607 WeakPolarHBondContact O-CG 3.41Å; G603-Q607 PolarHBondContact O-N 3.31Å; R605-Q607 VanDerWaalsContact C-N 3.3Å; R605-Q607 PolarHBondContact O-N 3.23Å; Q607-A611 WeakPolarHBondContact O-CA 3.36Å; Q607-A611 WeakPolarHBondContact O-CB 3.06Å; Q607-A611 PolarHBondContact O-N 2.81Å |
| 608 | L | 72.9 | Confident | 70.9 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -79 | -24.6 | 170.3 | -176.3 | 57.8 | 0 | 0 | 0 | 111.9 | L604 R605 I606 A611 L612 A896 A899 | L604-L608 WeakPolarHBondContact O-CB 3.34Å; L604-L608 PolarHBondContact O-N 2.94Å; R605-L608 CarbonylContact O-C 3.39Å; R605-L608 WeakPolarHBondContact O-CA 3.31Å; R605-L608 PolarHBondContact O-N 3.28Å; I606-L608 VanDerWaalsContact C-N 3.35Å; I606-L608 PolarHBondContact O-N 3.27Å; L608-A611 CarbonylContact O-C 3.56Å; L608-L612 HydrophobicContact CD1-CD1 4.49Å; L608-L612 HydrophobicContact CG-CD1 4.44Å; L608-L612 WeakPolarHBondContact O-CB 3.27Å; L608-L612 WeakPolarHBondContact O-CG 3.13Å; L608-L612 PolarHBondContact O-N 3.16Å; L608-A896 HydrophobicContact CD1-CB 4.49Å; L608-A899 HydrophobicContact CB-CB 4.17Å; L608-A899 HydrophobicContact CD1-CB 4.25Å |
| 609 | E | 72.2 | Confident | 71.7 | Confident | 108 Ų | 108 | 61.4 Ų | 61.4 | 51% | 0.505 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -89.2 | -22.5 | 176.4 | -77.3 | 169.1 | -158.3 | 0 | 0 | 112.1 | R605 I606 L612 T613 | R605-E609 VanDerWaalsContact O-CB 3.25Å; R605-E609 WeakPolarHBondContact O-CB 3.39Å; R605-E609 WeakPolarHBondContact O-CG 3.3Å; R605-E609 PolarHBondContact O-N 3.48Å; I606-E609 CarbonylContact O-C 3.11Å; I606-E609 PolarHBondContact O-N 2.96Å; E609-L612 CarbonylContact O-C 3.54Å; E609-L612 VanDerWaalsContact O-CA 3.24Å; E609-L612 WeakPolarHBondContact O-CA 3.34Å; E609-L612 PolarHBondContact O-N 2.9Å; E609-L612 VanDerWaalsContact O-N 3.1Å; E609-T613 WeakPolarHBondContact O-CG2 3.36Å; E609-T613 PolarHBondContact O-N 2.92Å |
| 610 | D | 74.8 | Confident | 72.2 | Confident | 84 Ų | 84 | 61.1 Ų | 61.1 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -86.1 | -25.3 | 161.4 | -81.5 | -37.1 | 0 | 0 | 0 | 111.2 | I606 L612 T613 | I606-D610 WeakPolarHBondContact O-CB 3.38Å; I606-D610 PolarHBondContact O-N 3.39Å; D610-L612 PolarHBondContact O-N 2.69Å; D610-T613 WeakPolarHBondContact CA-OG1 3.46Å; D610-T613 PolarHBondContact O-OG1 2.8Å; D610-T613 WeakPolarHBondContact OD1-CG2 3.48Å; D610-T613 PolarHBondContact OD1-OG1 2.89Å; D610-T613 VanDerWaalsContact OD1-OG1 3.13Å |
| 611 | A | 69.1 | Low | 72.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 2.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q607 L608 S1415 N1416 T1417 | Q607-A611 WeakPolarHBondContact O-CA 3.36Å; Q607-A611 WeakPolarHBondContact O-CB 3.06Å; Q607-A611 PolarHBondContact O-N 2.81Å; L608-A611 CarbonylContact O-C 3.56Å; A611-S1415 VanDerWaalsContact C-C 3.49Å; A611-S1415 CarbonylContact C-O 3.59Å; A611-S1415 CarbonylContact O-C 3.54Å; A611-S1415 VanDerWaalsContact O-C 3.29Å; A611-N1416 CarbonylContact O-C 3.44Å; A611-N1416 VanDerWaalsContact O-C 3.26Å; A611-N1416 PolarHBondContact O-N 2.67Å; A611-T1417 VanDerWaalsContact CB-N 3.27Å; A611-T1417 PolarHBondContact O-N 3.24Å |
| 612 | L | 73.4 | Confident | 73 | Confident | 84 Ų | 84 | 61.7 Ų | 61.7 | 44% | 0.44 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -133.1 | 30.3 | 165.2 | -63.7 | 170.9 | 0 | 0 | 0 | 113.1 | L608 E609 D610 S1413 V1414 S1415 | L608-L612 HydrophobicContact CD1-CD1 4.49Å; L608-L612 HydrophobicContact CG-CD1 4.44Å; L608-L612 WeakPolarHBondContact O-CB 3.27Å; L608-L612 WeakPolarHBondContact O-CG 3.13Å; L608-L612 PolarHBondContact O-N 3.16Å; E609-L612 CarbonylContact O-C 3.54Å; E609-L612 VanDerWaalsContact O-CA 3.24Å; E609-L612 WeakPolarHBondContact O-CA 3.34Å; E609-L612 PolarHBondContact O-N 2.9Å; E609-L612 VanDerWaalsContact O-N 3.1Å; D610-L612 PolarHBondContact O-N 2.69Å; L612-S1413 CarbonylContact O-C 3.48Å; L612-V1414 CarbonylContact C-O 3.58Å; L612-V1414 CarbonylContact O-C 3.44Å; L612-S1415 CarbonylContact C-O 3.57Å; L612-S1415 WeakPolarHBondContact CA-O 3.44Å; L612-S1415 PolarHBondContact N-O 3.35Å; L612-S1415 PolarHBondContact O-N 2.73Å |
| 613 | T | 76.2 | Confident | 73.4 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -107.3 | -7.8 | 163.6 | 66.8 | 0 | 0 | 0 | 0 | 121.9 | E609 D610 S1413 V1414 S1415 | E609-T613 WeakPolarHBondContact O-CG2 3.36Å; E609-T613 PolarHBondContact O-N 2.92Å; D610-T613 WeakPolarHBondContact CA-OG1 3.46Å; D610-T613 PolarHBondContact O-OG1 2.8Å; D610-T613 WeakPolarHBondContact OD1-CG2 3.48Å; D610-T613 PolarHBondContact OD1-OG1 2.89Å; D610-T613 VanDerWaalsContact OD1-OG1 3.13Å; T613-S1413 VanDerWaalsContact CA-CB 3.47Å; T613-S1413 VanDerWaalsContact CB-CB 3.42Å; T613-S1413 WeakPolarHBondContact O-CB 3.29Å; T613-V1414 VanDerWaalsContact O-CB 3.27Å; T613-V1414 WeakPolarHBondContact O-CB 3.12Å; T613-V1414 WeakPolarHBondContact O-CG1 3.32Å; T613-S1415 CarbonylContact C-O 3.5Å; T613-S1415 WeakPolarHBondContact CA-O 3.35Å; T613-S1415 VanDerWaalsContact N-C 3.28Å; T613-S1415 PolarHBondContact N-O 3.06Å |
| 614 | L | 73.5 | Confident | 73.8 | Confident | 84 Ų | 84 | 62.1 Ų | 62.1 | 44% | 0.44 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -142.3 | -23.3 | 176.8 | -165.9 | 66 | 0 | 0 | 0 | 123.7 | D616 A617 H618 S1415 N1416 | L614-D616 PolarHBondContact O-N 3.42Å; L614-A617 HydrophobicContact CD1-CB 3.62Å; L614-A617 HydrophobicContact CG-CB 4.25Å; L614-A617 VanDerWaalsContact O-CA 3.25Å; L614-A617 WeakPolarHBondContact O-CA 3.33Å; L614-A617 WeakPolarHBondContact O-CB 3.41Å; L614-A617 PolarHBondContact O-N 2.76Å; L614-H618 PolarHBondContact O-N 2.97Å; L614-S1415 VanDerWaalsContact C-OG 3.26Å; L614-S1415 PolarHBondContact N-O 2.89Å; L614-N1416 HydrophobicContact CB-CB 3.68Å |
| 615 | S | 70.4 | Confident | 74.1 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.028 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.1 | -31.5 | -169.6 | -176 | 0 | 0 | 0 | 0 | 118.8 | A617 H618 L619 A892 S1415 N1416 | S615-A617 PolarHBondContact O-N 2.91Å; S615-H618 CarbonylContact O-C 3.42Å; S615-H618 VanDerWaalsContact O-CA 3.26Å; S615-H618 WeakPolarHBondContact O-CA 2.97Å; S615-H618 VanDerWaalsContact O-CB 3.3Å; S615-H618 WeakPolarHBondContact O-CB 3.37Å; S615-H618 PolarHBondContact O-N 3.12Å; S615-L619 PolarHBondContact O-N 2.74Å; S615-A892 WeakPolarHBondContact OG-CB 3.31Å; S615-S1415 PolarHBondContact N-OG 3.49Å; S615-N1416 WeakPolarHBondContact CA-OD1 3.28Å; S615-N1416 VanDerWaalsContact CB-N 3.29Å; S615-N1416 WeakPolarHBondContact CB-OD1 3.21Å; S615-N1416 PolarHBondContact N-OD1 3.3Å |
| 616 | D | 74.1 | Confident | 74.4 | Confident | 75 Ų | 75 | 58 Ų | 58 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53.8 | -26.4 | 160.9 | -44 | -30.4 | 0 | 0 | 0 | 110.1 | L614 S620 V1414 S1415 | L614-D616 PolarHBondContact O-N 3.42Å; D616-S620 WeakPolarHBondContact O-CA 3.45Å; D616-S620 WeakPolarHBondContact O-CB 3.49Å; D616-S620 PolarHBondContact O-N 2.95Å; D616-V1414 HydrophobicContact CB-CG1 4.31Å; D616-V1414 VanDerWaalsContact OD2-O 3.11Å; D616-S1415 VanDerWaalsContact CA-OG 3.27Å; D616-S1415 WeakPolarHBondContact CA-OG 3.47Å; D616-S1415 WeakPolarHBondContact CB-OG 3.41Å; D616-S1415 PolarHBondContact N-OG 2.82Å; D616-S1415 VanDerWaalsContact OD1-CB 3.23Å; D616-S1415 WeakPolarHBondContact OD1-CB 3.44Å; D616-S1415 PolarHBondContact OD1-OG 3.12Å; D616-S1415 WeakPolarHBondContact OD2-CB 3.25Å; D616-S1415 PolarHBondContact OD2-OG 3.43Å |
| 617 | A | 75.5 | Confident | 74.6 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 31% | 0.314 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69 | -43.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L614 S615 L619 S620 E621 V1414 | L614-A617 HydrophobicContact CD1-CB 3.62Å; L614-A617 HydrophobicContact CG-CB 4.25Å; L614-A617 VanDerWaalsContact O-CA 3.25Å; L614-A617 WeakPolarHBondContact O-CA 3.33Å; L614-A617 WeakPolarHBondContact O-CB 3.41Å; L614-A617 PolarHBondContact O-N 2.76Å; S615-A617 PolarHBondContact O-N 2.91Å; A617-L619 VanDerWaalsContact C-N 3.33Å; A617-L619 PolarHBondContact O-N 3.5Å; A617-S620 CarbonylContact O-C 3.33Å; A617-S620 WeakPolarHBondContact O-CB 3.26Å; A617-S620 PolarHBondContact O-N 3.14Å; A617-E621 VanDerWaalsContact O-CB 3.29Å; A617-E621 WeakPolarHBondContact O-CB 3.08Å; A617-E621 PolarHBondContact O-N 2.83Å; A617-V1414 HydrophobicContact CB-CG1 4.4Å |
| 618 | H | 75.8 | Confident | 75.1 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -31.4 | 170.5 | -57.2 | 175.3 | 0 | 0 | 0 | 112.9 | L614 S615 E621 I622 S888 A889 | L614-H618 PolarHBondContact O-N 2.97Å; S615-H618 CarbonylContact O-C 3.42Å; S615-H618 VanDerWaalsContact O-CA 3.26Å; S615-H618 WeakPolarHBondContact O-CA 2.97Å; S615-H618 VanDerWaalsContact O-CB 3.3Å; S615-H618 WeakPolarHBondContact O-CB 3.37Å; S615-H618 PolarHBondContact O-N 3.12Å; H618-E621 PolarHBondContact O-N 3.28Å; H618-I622 WeakPolarHBondContact O-CB 3.5Å; H618-I622 VanDerWaalsContact O-CG1 3.24Å; H618-I622 WeakPolarHBondContact O-CG1 3.27Å; H618-I622 PolarHBondContact O-N 3.13Å; H618-S888 PolarHBondContact CE1-OG 2.9Å; H618-S888 VanDerWaalsContact ND1-C 3.35Å; H618-S888 PolarHBondContact ND1-O 2.82Å; H618-S888 PolarHBondContact ND1-OG 2.92Å; H618-S888 PolarHBondContact NE2-OG 2.85Å; H618-A889 HydrophobicContact CB-CB 3.93Å |
| 619 | L | 75.4 | Confident | 75.4 | Confident | 80 Ų | 80 | 51.4 Ų | 51.4 | 42% | 0.419 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -75.7 | -32.7 | 173.5 | -69.6 | 158.1 | 0 | 0 | 0 | 111.5 | S615 A617 S623 | S615-L619 PolarHBondContact O-N 2.74Å; A617-L619 VanDerWaalsContact C-N 3.33Å; A617-L619 PolarHBondContact O-N 3.5Å; L619-S623 VanDerWaalsContact O-CB 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.35Å; L619-S623 PolarHBondContact O-N 3.25Å; L619-S623 PolarHBondContact O-OG 3.34Å |
| 620 | S | 76.1 | Confident | 75.7 | Confident | 78 Ų | 78 | 48.4 Ų | 48.4 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.1 | -35.8 | 170.4 | -174 | 0 | 0 | 0 | 0 | 110.9 | D616 A617 S623 S624 | D616-S620 WeakPolarHBondContact O-CA 3.45Å; D616-S620 WeakPolarHBondContact O-CB 3.49Å; D616-S620 PolarHBondContact O-N 2.95Å; A617-S620 CarbonylContact O-C 3.33Å; A617-S620 WeakPolarHBondContact O-CB 3.26Å; A617-S620 PolarHBondContact O-N 3.14Å; S620-S623 PolarHBondContact O-N 2.97Å; S620-S624 VanDerWaalsContact O-CB 3.3Å; S620-S624 WeakPolarHBondContact O-CB 3.48Å; S620-S624 PolarHBondContact O-N 2.92Å |
| 621 | E | 74.1 | Confident | 76 | Confident | 93 Ų | 93 | 48.7 Ų | 48.7 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.2 | -47.6 | 174.1 | -175.9 | 173.6 | -145.9 | 0 | 0 | 110.9 | A617 H618 S623 S624 I625 A885 | A617-E621 VanDerWaalsContact O-CB 3.29Å; A617-E621 WeakPolarHBondContact O-CB 3.08Å; A617-E621 PolarHBondContact O-N 2.83Å; H618-E621 PolarHBondContact O-N 3.28Å; E621-S623 VanDerWaalsContact C-N 3.28Å; E621-S623 PolarHBondContact O-N 2.88Å; E621-S624 WeakPolarHBondContact O-CB 3.28Å; E621-S624 PolarHBondContact O-N 3.13Å; E621-I625 HydrophobicContact CG-CD1 3.72Å; E621-I625 WeakPolarHBondContact O-CG1 2.95Å; E621-I625 PolarHBondContact O-N 2.97Å; E621-A885 HydrophobicContact CG-CB 4.02Å |
| 622 | I | 75 | Confident | 76.2 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 18% | 0.179 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.5 | -46.7 | 168.8 | -72.8 | 167.4 | 0 | 0 | 0 | 110.3 | H618 S624 I625 T626 A885 K886 A889 | H618-I622 WeakPolarHBondContact O-CB 3.5Å; H618-I622 VanDerWaalsContact O-CG1 3.24Å; H618-I622 WeakPolarHBondContact O-CG1 3.27Å; H618-I622 PolarHBondContact O-N 3.13Å; I622-S624 PolarHBondContact O-N 3.04Å; I622-I625 PolarHBondContact O-N 2.73Å; I622-T626 WeakPolarHBondContact O-CB 3.31Å; I622-T626 PolarHBondContact O-N 3.36Å; I622-T626 PolarHBondContact O-OG1 2.87Å; I622-A885 HydrophobicContact CG1-CB 3.71Å; I622-K886 HydrophobicContact CD1-CB 4.41Å; I622-A889 HydrophobicContact CD1-CB 3.25Å; I622-A889 HydrophobicContact CG1-CB 4.45Å |
| 623 | S | 77.5 | Confident | 76.6 | Confident | 39 Ų | 39 | 45 Ų | 45 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 178.8 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | L619 S620 E621 I625 T626 I627 | L619-S623 VanDerWaalsContact O-CB 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.35Å; L619-S623 PolarHBondContact O-N 3.25Å; L619-S623 PolarHBondContact O-OG 3.34Å; S620-S623 PolarHBondContact O-N 2.97Å; E621-S623 VanDerWaalsContact C-N 3.28Å; E621-S623 PolarHBondContact O-N 2.88Å; S623-I625 VanDerWaalsContact C-N 3.35Å; S623-I625 PolarHBondContact O-N 2.82Å; S623-T626 PolarHBondContact O-N 2.67Å; S623-I627 WeakPolarHBondContact O-CB 3.2Å; S623-I627 WeakPolarHBondContact O-CD1 3.24Å; S623-I627 WeakPolarHBondContact O-CG1 3.45Å; S623-I627 PolarHBondContact O-N 3.38Å |
| 624 | S | 78.9 | Confident | 76.7 | Confident | 56 Ų | 56 | 43.1 Ų | 43.1 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.5 | -40.6 | 177.9 | -179.1 | 0 | 0 | 0 | 0 | 113.5 | S620 E621 I622 Q628 | S620-S624 VanDerWaalsContact O-CB 3.3Å; S620-S624 WeakPolarHBondContact O-CB 3.48Å; S620-S624 PolarHBondContact O-N 2.92Å; E621-S624 WeakPolarHBondContact O-CB 3.28Å; E621-S624 PolarHBondContact O-N 3.13Å; I622-S624 PolarHBondContact O-N 3.04Å; S624-Q628 WeakPolarHBondContact O-CG 3.27Å; S624-Q628 PolarHBondContact O-N 3.05Å; S624-Q628 PolarHBondContact O-NE2 3.03Å; S624-Q628 VanDerWaalsContact O-NE2 3.12Å |
| 625 | I | 76.8 | Confident | 76.9 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -83 | -33.6 | -179 | -58.6 | 162.9 | 0 | 0 | 0 | 111.3 | E621 I622 S623 I627 Q628 L629 A881 A882 A885 | E621-I625 HydrophobicContact CG-CD1 3.72Å; E621-I625 WeakPolarHBondContact O-CG1 2.95Å; E621-I625 PolarHBondContact O-N 2.97Å; I622-I625 PolarHBondContact O-N 2.73Å; S623-I625 VanDerWaalsContact C-N 3.35Å; S623-I625 PolarHBondContact O-N 2.82Å; I625-I627 VanDerWaalsContact C-N 3.33Å; I625-Q628 PolarHBondContact O-N 2.95Å; I625-L629 WeakPolarHBondContact O-CB 3.37Å; I625-L629 PolarHBondContact O-N 3.46Å; I625-A881 HydrophobicContact CD1-CB 4.23Å; I625-A881 HydrophobicContact CG2-CB 3.62Å; I625-A882 HydrophobicContact CG2-CB 3.95Å; I625-A885 HydrophobicContact CD1-CB 3.74Å |
| 626 | T | 77.2 | Confident | 77.3 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 20% | 0.202 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 173.3 | -57.2 | 0 | 0 | 0 | 0 | 109.9 | I622 S623 Q628 L629 E630 P1505 | I622-T626 WeakPolarHBondContact O-CB 3.31Å; I622-T626 PolarHBondContact O-N 3.36Å; I622-T626 PolarHBondContact O-OG1 2.87Å; S623-T626 PolarHBondContact O-N 2.67Å; T626-Q628 PolarHBondContact O-N 3.04Å; T626-L629 PolarHBondContact O-N 3.38Å; T626-E630 WeakPolarHBondContact CG2-OE1 3.41Å; T626-E630 WeakPolarHBondContact O-CB 3.24Å; T626-E630 WeakPolarHBondContact O-CG 3.48Å; T626-E630 PolarHBondContact O-N 2.78Å; T626-P1505 HydrophobicContact CG2-CB 3.92Å; T626-P1505 HydrophobicContact CG2-CG 3.56Å |
| 627 | I | 79.5 | Confident | 77.5 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.5 | -47.7 | 170.1 | -75.5 | 162.6 | 0 | 0 | 0 | 111.5 | S623 I625 E630 Q631 T1539 L1543 | S623-I627 WeakPolarHBondContact O-CB 3.2Å; S623-I627 WeakPolarHBondContact O-CD1 3.24Å; S623-I627 WeakPolarHBondContact O-CG1 3.45Å; S623-I627 PolarHBondContact O-N 3.38Å; I625-I627 VanDerWaalsContact C-N 3.33Å; I627-E630 PolarHBondContact O-N 2.92Å; I627-Q631 WeakPolarHBondContact O-CB 3.29Å; I627-Q631 VanDerWaalsContact O-CG 3.26Å; I627-Q631 WeakPolarHBondContact O-CG 3.46Å; I627-Q631 PolarHBondContact O-N 2.72Å; I627-T1539 HydrophobicContact CD1-CG2 3.96Å; I627-L1543 HydrophobicContact CB-CD2 4.5Å; I627-L1543 HydrophobicContact CD1-CD1 3.86Å; I627-L1543 HydrophobicContact CD1-CD2 3.85Å; I627-L1543 HydrophobicContact CD1-CG 3.82Å; I627-L1543 HydrophobicContact CG1-CD1 4.18Å; I627-L1543 HydrophobicContact CG1-CD2 4.05Å; I627-L1543 HydrophobicContact CG1-CG 4.4Å; I627-L1543 HydrophobicContact CG2-CD2 3.63Å |
| 628 | Q | 79.6 | Confident | 77.6 | Confident | 59 Ų | 59 | 43.6 Ų | 43.6 | 28% | 0.276 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.3 | -32.6 | -178.2 | -74.2 | 174.7 | 82.3 | 0 | 0 | 112.9 | S624 I625 T626 Q631 A632 Y878 | S624-Q628 WeakPolarHBondContact O-CG 3.27Å; S624-Q628 PolarHBondContact O-N 3.05Å; S624-Q628 PolarHBondContact O-NE2 3.03Å; S624-Q628 VanDerWaalsContact O-NE2 3.12Å; I625-Q628 PolarHBondContact O-N 2.95Å; T626-Q628 PolarHBondContact O-N 3.04Å; Q628-Q631 PolarHBondContact O-N 2.85Å; Q628-A632 WeakPolarHBondContact O-CB 3.49Å; Q628-A632 PolarHBondContact O-N 3.5Å; Q628-Y878 HydrophobicContact CB-CD1 3.57Å; Q628-Y878 HydrophobicContact CB-CD2 4.31Å; Q628-Y878 HydrophobicContact CB-CE1 3.44Å; Q628-Y878 VanDerWaalsContact CB-CE1 3.44Å; Q628-Y878 HydrophobicContact CB-CE2 4.18Å; Q628-Y878 HydrophobicContact CB-CG 4Å; Q628-Y878 HydrophobicContact CG-CE1 4.06Å; Q628-Y878 WeakPolarHBondContact O-CD2 3.15Å; Q628-Y878 PolarHBondContact OE1-OH 3.18Å; Q628-Y878 VanDerWaalsContact OE1-OH 3.05Å |
| 629 | L | 77.8 | Confident | 77.6 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -55.3 | 169 | 179.7 | 58.9 | 0 | 0 | 0 | 109.5 | I625 T626 Q631 A632 N633 L879 A882 D1503 P1505 | I625-L629 WeakPolarHBondContact O-CB 3.37Å; I625-L629 PolarHBondContact O-N 3.46Å; T626-L629 PolarHBondContact O-N 3.38Å; L629-Q631 PolarHBondContact O-N 3.02Å; L629-A632 PolarHBondContact O-N 2.57Å; L629-N633 WeakPolarHBondContact CD1-ND2 3.42Å; L629-N633 VanDerWaalsContact O-CB 3.29Å; L629-N633 WeakPolarHBondContact O-CB 3.45Å; L629-N633 PolarHBondContact O-N 3.09Å; L629-L879 HydrophobicContact CD1-CB 4.07Å; L629-L879 HydrophobicContact CD2-CD1 4.07Å; L629-A882 HydrophobicContact CD2-CB 4.41Å; L629-D1503 WeakPolarHBondContact CG-O 3.44Å; L629-P1505 HydrophobicContact CD2-CG 4.42Å |
| 630 | E | 79.3 | Confident | 77.9 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -50 | -44 | 174.8 | -74.3 | 171.4 | -147.7 | 0 | 0 | 111.5 | T626 I627 A634 P1505 | T626-E630 WeakPolarHBondContact CG2-OE1 3.41Å; T626-E630 WeakPolarHBondContact O-CB 3.24Å; T626-E630 WeakPolarHBondContact O-CG 3.48Å; T626-E630 PolarHBondContact O-N 2.78Å; I627-E630 PolarHBondContact O-N 2.92Å; E630-A634 WeakPolarHBondContact O-CA 3.17Å; E630-A634 WeakPolarHBondContact O-CB 3.39Å; E630-A634 PolarHBondContact O-N 3.17Å; E630-P1505 VanDerWaalsContact CD-O 3.22Å; E630-P1505 HydrophobicContact CG-CB 4.19Å; E630-P1505 HydrophobicContact CG-CG 3.82Å; E630-P1505 WeakPolarHBondContact OE1-CB 3.35Å; E630-P1505 VanDerWaalsContact OE1-O 3.1Å |
| 631 | Q | 80.4 | Confident | 78 | Confident | 89 Ų | 89 | 40.5 Ų | 40.5 | 42% | 0.416 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -72.1 | -35.5 | 179.4 | -73.7 | 175.5 | 11.1 | 0 | 0 | 115.7 | I627 Q628 L629 A634 R635 | I627-Q631 WeakPolarHBondContact O-CB 3.29Å; I627-Q631 VanDerWaalsContact O-CG 3.26Å; I627-Q631 WeakPolarHBondContact O-CG 3.46Å; I627-Q631 PolarHBondContact O-N 2.72Å; Q628-Q631 PolarHBondContact O-N 2.85Å; L629-Q631 PolarHBondContact O-N 3.02Å; Q631-A634 WeakPolarHBondContact O-CB 3.4Å; Q631-R635 PolarHBondContact O-N 2.91Å |
| 632 | A | 74.6 | Confident | 78.1 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -85.1 | -43.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q628 L629 A634 R635 Y636 K874 Y878 | Q628-A632 WeakPolarHBondContact O-CB 3.49Å; Q628-A632 PolarHBondContact O-N 3.5Å; L629-A632 PolarHBondContact O-N 2.57Å; A632-A634 PolarHBondContact O-N 3.01Å; A632-R635 PolarHBondContact O-N 3.08Å; A632-Y636 PolarHBondContact O-N 2.83Å; A632-K874 HydrophobicContact CB-CB 3.81Å; A632-Y878 HydrophobicContact CB-CD2 3.39Å; A632-Y878 HydrophobicContact CB-CE2 3.63Å |
| 633 | N | 80.8 | Confident | 78.1 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57 | -42.3 | 164.3 | -102.4 | -43.9 | 0 | 0 | 0 | 108.7 | L629 R635 Y636 R637 S875 D1503 Y1504 | L629-N633 WeakPolarHBondContact CD1-ND2 3.42Å; L629-N633 VanDerWaalsContact O-CB 3.29Å; L629-N633 WeakPolarHBondContact O-CB 3.45Å; L629-N633 PolarHBondContact O-N 3.09Å; N633-R635 VanDerWaalsContact C-N 3.3Å; N633-R635 PolarHBondContact O-N 3.27Å; N633-Y636 WeakPolarHBondContact O-CA 3.42Å; N633-Y636 WeakPolarHBondContact O-CB 3.43Å; N633-Y636 PolarHBondContact O-N 2.83Å; N633-R637 PolarHBondContact O-N 2.58Å; N633-R637 VanDerWaalsContact O-N 3.17Å; N633-S875 PolarHBondContact ND2-OG 2.86Å; N633-S875 VanDerWaalsContact OD1-CB 3.26Å; N633-S875 WeakPolarHBondContact OD1-CB 3.21Å; N633-S875 PolarHBondContact OD1-OG 3.04Å; N633-D1503 WeakPolarHBondContact CB-O 3.5Å; N633-D1503 WeakPolarHBondContact ND2-CA 3.36Å; N633-D1503 VanDerWaalsContact ND2-CB 3.28Å; N633-D1503 WeakPolarHBondContact ND2-CB 3.33Å; N633-D1503 PolarHBondContact ND2-O 2.95Å; N633-Y1504 VanDerWaalsContact C-CZ 3.45Å; N633-Y1504 HydrophobicContact CB-CD1 3.6Å; N633-Y1504 HydrophobicContact CB-CD2 3.94Å; N633-Y1504 HydrophobicContact CB-CE1 3.47Å; N633-Y1504 VanDerWaalsContact CB-CE1 3.47Å; N633-Y1504 HydrophobicContact CB-CE2 3.65Å; N633-Y1504 HydrophobicContact CB-CG 3.86Å; N633-Y1504 WeakPolarHBondContact O-CE1 3.29Å; N633-Y1504 PolarHBondContact O-OH 3.49Å; N633-Y1504 WeakPolarHBondContact OD1-CE2 3.44Å; N633-Y1504 PolarHBondContact OD1-OH 3.29Å |
| 634 | A | 78.7 | Confident | 78.1 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -47 | -54.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E630 Q631 A632 Y636 R637 E638 L1470 C1471 | E630-A634 WeakPolarHBondContact O-CA 3.17Å; E630-A634 WeakPolarHBondContact O-CB 3.39Å; E630-A634 PolarHBondContact O-N 3.17Å; Q631-A634 WeakPolarHBondContact O-CB 3.4Å; A632-A634 PolarHBondContact O-N 3.01Å; A634-Y636 VanDerWaalsContact C-N 3.3Å; A634-Y636 PolarHBondContact O-N 2.96Å; A634-R637 CarbonylContact O-C 3.35Å; A634-R637 PolarHBondContact O-N 2.96Å; A634-E638 PolarHBondContact O-N 3.03Å; A634-L1470 WeakPolarHBondContact CA-O 3.3Å; A634-L1470 WeakPolarHBondContact CB-O 3.26Å; A634-C1471 CarbonylContact C-O 3.41Å; A634-C1471 VanDerWaalsContact CA-CA 3.5Å; A634-C1471 HydrophobicContact CB-CB 4.46Å; A634-C1471 CarbonylContact O-C 3.58Å; A634-C1471 WeakPolarHBondContact O-CA 3.37Å; A634-C1471 WeakPolarHBondContact O-CB 3.39Å |
| 635 | R | 77.7 | Confident | 77.9 | Confident | 108 Ų | 108 | 38.2 Ų | 38.2 | 41% | 0.408 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.2 | -25.5 | 180 | -63.1 | 178.5 | -169.8 | 126 | 2.4 | 114.9 | Q631 A632 N633 E638 L639 E871 | Q631-R635 PolarHBondContact O-N 2.91Å; A632-R635 PolarHBondContact O-N 3.08Å; N633-R635 VanDerWaalsContact C-N 3.3Å; N633-R635 PolarHBondContact O-N 3.27Å; R635-E638 WeakPolarHBondContact O-CA 3.48Å; R635-E638 VanDerWaalsContact O-CB 3.25Å; R635-E638 WeakPolarHBondContact O-CB 3.42Å; R635-E638 PolarHBondContact O-N 3.22Å; R635-L639 WeakPolarHBondContact O-CD1 3.49Å; R635-L639 WeakPolarHBondContact O-CG 3.16Å; R635-L639 PolarHBondContact O-N 3.14Å; R635-E871 HydrophobicContact CB-CB 4.1Å; R635-E871 HydrophobicContact CB-CG 3.53Å; R635-E871 WeakPolarHBondContact CB-OE2 3.08Å; R635-E871 VanDerWaalsContact CD-CD 3.49Å; R635-E871 WeakPolarHBondContact CD-OE1 3.23Å |
| 636 | Y | 77.8 | Confident | 77.5 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -57.1 | 170.3 | 174.4 | -89.1 | 0 | 0 | 0 | 110.7 | A632 N633 A634 E638 L639 E640 L868 Q872 Y1504 | A632-Y636 PolarHBondContact O-N 2.83Å; N633-Y636 WeakPolarHBondContact O-CA 3.42Å; N633-Y636 WeakPolarHBondContact O-CB 3.43Å; N633-Y636 PolarHBondContact O-N 2.83Å; A634-Y636 VanDerWaalsContact C-N 3.3Å; A634-Y636 PolarHBondContact O-N 2.96Å; Y636-E638 PolarHBondContact O-N 2.89Å; Y636-E638 VanDerWaalsContact O-N 3.17Å; Y636-L639 PolarHBondContact O-N 2.94Å; Y636-E640 PolarHBondContact O-N 2.78Å; Y636-L868 HydrophobicContact CD2-CD1 3.55Å; Y636-L868 HydrophobicContact CD2-CG 4.2Å; Y636-L868 HydrophobicContact CE1-CD1 4.49Å; Y636-L868 HydrophobicContact CE2-CD1 3.49Å; Y636-L868 VanDerWaalsContact CE2-CD1 3.49Å; Y636-L868 HydrophobicContact CE2-CG 3.87Å; Y636-L868 HydrophobicContact CG-CD1 4.13Å; Y636-L868 VanDerWaalsContact O-CD1 3.27Å; Y636-L868 WeakPolarHBondContact O-CD1 3.14Å; Y636-Q872 HydrophobicContact CD2-CB 3.63Å; Y636-Q872 HydrophobicContact CD2-CG 4Å; Y636-Q872 HydrophobicContact CE2-CB 3.85Å; Y636-Q872 HydrophobicContact CE2-CG 3.86Å; Y636-Y1504 WeakPolarHBondContact CD1-OH 3.45Å |
| 637 | R | 78.8 | Confident | 77.2 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 2% | 0.023 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67 | -13.9 | 174.7 | -85.9 | 175.9 | -23.4 | -159.5 | -169.3 | 111.6 | N633 A634 L639 N641 C1471 N1473 C1497 H1498 Y1504 | N633-R637 PolarHBondContact O-N 2.58Å; N633-R637 VanDerWaalsContact O-N 3.17Å; A634-R637 CarbonylContact O-C 3.35Å; A634-R637 PolarHBondContact O-N 2.96Å; R637-L639 VanDerWaalsContact C-N 3.33Å; R637-N641 PolarHBondContact O-ND2 2.89Å; R637-C1471 VanDerWaalsContact C-SG 3.57Å; R637-C1471 HydrophobicContact CB-CB 3.47Å; R637-C1471 VanDerWaalsContact CB-CB 3.47Å; R637-C1471 WeakPolarHBondContact CB-SG 3.27Å; R637-N1473 WeakPolarHBondContact O-CB 3.38Å; R637-N1473 VanDerWaalsContact O-CG 3.31Å; R637-N1473 PolarHBondContact O-ND2 3.48Å; R637-C1497 PolarHBondContact NH2-O 3.3Å; R637-H1498 WeakPolarHBondContact CD-NE2 3.44Å; R637-H1498 VanDerWaalsContact CZ-NE2 3.28Å; R637-H1498 PolarHBondContact NE-CD2 3.4Å; R637-H1498 PolarHBondContact NE-CE1 2.88Å; R637-H1498 PolarHBondContact NE-NE2 3.31Å; R637-H1498 PolarHBondContact NH1-CD2 2.97Å; R637-H1498 PolarHBondContact NH1-CE1 2.86Å; R637-H1498 VanDerWaalsContact NH1-CE1 3.25Å; R637-H1498 PolarHBondContact NH1-ND1 3.33Å; R637-H1498 PolarHBondContact NH1-NE2 2.83Å; R637-Y1504 HydrophobicContact CB-CE1 3.98Å; R637-Y1504 WeakPolarHBondContact CB-OH 3.36Å; R637-Y1504 WeakPolarHBondContact CD-OH 3.44Å; R637-Y1504 HydrophobicContact CG-CE1 4.26Å; R637-Y1504 HydrophobicContact CG-CE2 4.47Å; R637-Y1504 WeakPolarHBondContact CG-OH 3.5Å; R637-Y1504 PolarHBondContact N-OH 2.84Å; R637-Y1504 PolarHBondContact NE-OH 3.25Å; R637-Y1504 VanDerWaalsContact NH1-CB 3.28Å; R637-Y1504 VanDerWaalsContact NH1-CD2 3.3Å; R637-Y1504 VanDerWaalsContact NH1-CE1 3.26Å |
| 638 | E | 78 | Confident | 77 | Confident | 47 Ų | 47 | 44.4 Ų | 44.4 | 22% | 0.22 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.3 | -21.7 | 165.1 | -164.5 | 170.3 | 174.2 | 0 | 0 | 114.6 | A634 R635 Y636 K642 C1471 Q1472 N1473 | A634-E638 PolarHBondContact O-N 3.03Å; R635-E638 WeakPolarHBondContact O-CA 3.48Å; R635-E638 VanDerWaalsContact O-CB 3.25Å; R635-E638 WeakPolarHBondContact O-CB 3.42Å; R635-E638 PolarHBondContact O-N 3.22Å; Y636-E638 PolarHBondContact O-N 2.89Å; Y636-E638 VanDerWaalsContact O-N 3.17Å; E638-K642 VanDerWaalsContact CG-NZ 3.29Å; E638-K642 VanDerWaalsContact O-CD 3.3Å; E638-K642 WeakPolarHBondContact O-CD 3.42Å; E638-K642 WeakPolarHBondContact O-CE 3.49Å; E638-K642 IonicContact OE1-NZ 3.04Å; E638-K642 PolarHBondContact OE1-NZ 3.46Å; E638-C1471 VanDerWaalsContact CA-O 3.26Å; E638-C1471 WeakPolarHBondContact CA-O 3.25Å; E638-C1471 WeakPolarHBondContact CB-O 3.21Å; E638-C1471 PolarHBondContact N-O 2.78Å; E638-Q1472 HydrophobicContact CG-CB 4.22Å; E638-Q1472 WeakPolarHBondContact OE2-CB 3.03Å; E638-N1473 VanDerWaalsContact CA-CB 3.48Å; E638-N1473 VanDerWaalsContact CA-CG 3.49Å; E638-N1473 WeakPolarHBondContact CA-ND2 3.42Å; E638-N1473 PolarHBondContact O-ND2 3.38Å; E638-N1473 PolarHBondContact O-OD1 2.88Å; E638-N1473 VanDerWaalsContact O-OD1 3.09Å |
| 639 | L | 76.3 | Confident | 76.4 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -103.4 | -30.8 | -176.3 | -70.6 | 155.5 | 0 | 0 | 0 | 111.9 | R635 Y636 R637 K642 I643 A867 L868 E871 N1473 | R635-L639 WeakPolarHBondContact O-CD1 3.49Å; R635-L639 WeakPolarHBondContact O-CG 3.16Å; R635-L639 PolarHBondContact O-N 3.14Å; Y636-L639 PolarHBondContact O-N 2.94Å; R637-L639 VanDerWaalsContact C-N 3.33Å; L639-K642 PolarHBondContact O-N 3.34Å; L639-I643 WeakPolarHBondContact O-CB 3.42Å; L639-I643 WeakPolarHBondContact O-CD1 3.32Å; L639-I643 VanDerWaalsContact O-CG1 3.23Å; L639-I643 WeakPolarHBondContact O-CG1 3.27Å; L639-I643 PolarHBondContact O-N 2.93Å; L639-A867 HydrophobicContact CD1-CB 3.8Å; L639-A867 HydrophobicContact CD2-CB 4.08Å; L639-L868 HydrophobicContact CB-CB 3.89Å; L639-L868 HydrophobicContact CB-CD1 3.64Å; L639-L868 HydrophobicContact CB-CG 4.36Å; L639-E871 HydrophobicContact CD1-CB 4.46Å; L639-E871 HydrophobicContact CD1-CG 3.93Å; L639-N1473 PolarHBondContact N-ND2 2.87Å |
| 640 | E | 80 | Confident | 75.9 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 36% | 0.36 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.9 | -59.8 | 179.8 | -171.1 | 170.4 | -134.7 | 0 | 0 | 114.3 | Y636 K642 I643 S644 L868 | Y636-E640 PolarHBondContact O-N 2.78Å; E640-K642 PolarHBondContact O-N 2.73Å; E640-I643 PolarHBondContact O-N 3.45Å; E640-S644 PolarHBondContact O-N 2.62Å; E640-L868 HydrophobicContact CB-CD1 4.44Å |
| 641 | N | 78.7 | Confident | 75.5 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -33.2 | 179.7 | -52.2 | -91.3 | 0 | 0 | 0 | 112.9 | R637 I643 S644 L645 N1473 S1474 P1482 H1495 | R637-N641 PolarHBondContact O-ND2 2.89Å; N641-I643 VanDerWaalsContact C-N 3.32Å; N641-I643 PolarHBondContact O-N 2.66Å; N641-S644 PolarHBondContact O-N 2.72Å; N641-L645 WeakPolarHBondContact O-CB 3.24Å; N641-L645 PolarHBondContact O-N 2.73Å; N641-N1473 WeakPolarHBondContact CA-ND2 2.93Å; N641-N1473 HydrophobicContact CB-CB 4.27Å; N641-N1473 VanDerWaalsContact CB-ND2 3.31Å; N641-N1473 WeakPolarHBondContact CB-ND2 3.11Å; N641-N1473 PolarHBondContact N-ND2 3.28Å; N641-N1473 PolarHBondContact ND2-ND2 2.82Å; N641-S1474 WeakPolarHBondContact CB-O 3.33Å; N641-P1482 HydrophobicContact CB-CG 4.26Å; N641-P1482 WeakPolarHBondContact OD1-CB 3.3Å; N641-H1495 PolarHBondContact OD1-CD2 3.32Å |
| 642 | K | 77 | Confident | 75.1 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 171.8 | -96.6 | 171.3 | -145.8 | 179.6 | 0 | 111.6 | E638 L639 E640 Q646 N1473 | E638-K642 VanDerWaalsContact CG-NZ 3.29Å; E638-K642 VanDerWaalsContact O-CD 3.3Å; E638-K642 WeakPolarHBondContact O-CD 3.42Å; E638-K642 WeakPolarHBondContact O-CE 3.49Å; E638-K642 IonicContact OE1-NZ 3.04Å; E638-K642 PolarHBondContact OE1-NZ 3.46Å; L639-K642 PolarHBondContact O-N 3.34Å; E640-K642 PolarHBondContact O-N 2.73Å; K642-Q646 WeakPolarHBondContact O-CG 3.4Å; K642-Q646 PolarHBondContact O-N 3.42Å; K642-N1473 WeakPolarHBondContact CG-OD1 3.13Å; K642-N1473 PolarHBondContact N-ND2 2.83Å; K642-N1473 VanDerWaalsContact N-ND2 3.2Å; K642-N1473 PolarHBondContact N-OD1 2.6Å |
| 643 | I | 75.6 | Confident | 74.7 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.8 | -50.1 | 177.5 | -72.4 | 165.4 | 0 | 0 | 0 | 110.1 | L639 E640 N641 L645 Q646 E647 Y861 A864 L865 L868 | L639-I643 WeakPolarHBondContact O-CB 3.42Å; L639-I643 WeakPolarHBondContact O-CD1 3.32Å; L639-I643 VanDerWaalsContact O-CG1 3.23Å; L639-I643 WeakPolarHBondContact O-CG1 3.27Å; L639-I643 PolarHBondContact O-N 2.93Å; E640-I643 PolarHBondContact O-N 3.45Å; N641-I643 VanDerWaalsContact C-N 3.32Å; N641-I643 PolarHBondContact O-N 2.66Å; I643-L645 VanDerWaalsContact C-N 3.33Å; I643-L645 PolarHBondContact O-N 2.79Å; I643-Q646 WeakPolarHBondContact O-CB 3.41Å; I643-Q646 PolarHBondContact O-N 2.79Å; I643-Q646 VanDerWaalsContact O-N 3.1Å; I643-E647 PolarHBondContact O-N 2.82Å; I643-E647 VanDerWaalsContact O-N 3.15Å; I643-Y861 HydrophobicContact CG2-CD2 4.31Å; I643-Y861 HydrophobicContact CG2-CE2 3.64Å; I643-A864 HydrophobicContact CD1-CB 4.09Å; I643-A864 HydrophobicContact CG1-CB 3.86Å; I643-L865 HydrophobicContact CD1-CD2 4.06Å; I643-L865 HydrophobicContact CD1-CG 4.23Å; I643-L868 HydrophobicContact CD1-CB 4.24Å; I643-L868 HydrophobicContact CD1-CD2 4.01Å |
| 644 | S | 76.3 | Confident | 74.1 | Confident | 56 Ų | 56 | 53.8 Ų | 53.8 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.6 | -40.9 | 179.2 | -174.3 | 0 | 0 | 0 | 0 | 113 | E640 N641 Q646 E647 I648 | E640-S644 PolarHBondContact O-N 2.62Å; N641-S644 PolarHBondContact O-N 2.72Å; S644-Q646 VanDerWaalsContact C-N 3.32Å; S644-Q646 PolarHBondContact O-N 3.45Å; S644-E647 PolarHBondContact O-N 3.09Å; S644-I648 WeakPolarHBondContact O-CG1 3.47Å; S644-I648 PolarHBondContact O-N 3.34Å |
| 645 | L | 74.4 | Confident | 73.8 | Confident | 32 Ų | 32 | 59 Ų | 59 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.8 | -31.2 | 178.3 | -154.3 | 75.7 | 0 | 0 | 0 | 112.7 | N641 I643 N649 S1476 G1477 | N641-L645 WeakPolarHBondContact O-CB 3.24Å; N641-L645 PolarHBondContact O-N 2.73Å; I643-L645 VanDerWaalsContact C-N 3.33Å; I643-L645 PolarHBondContact O-N 2.79Å; L645-N649 WeakPolarHBondContact O-CB 3.2Å; L645-N649 VanDerWaalsContact O-CG 3.31Å; L645-N649 PolarHBondContact O-N 3.38Å; L645-N649 VanDerWaalsContact O-N 3.11Å; L645-N649 PolarHBondContact O-ND2 2.84Å; L645-S1476 WeakPolarHBondContact CD2-O 3.2Å; L645-G1477 VanDerWaalsContact CD1-CA 3.46Å |
| 646 | Q | 69.2 | Low | 73.5 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.7 | -45 | 175 | -77.1 | 178.3 | 11.3 | 0 | 0 | 112.1 | K642 I643 S644 I648 N649 F650 | K642-Q646 WeakPolarHBondContact O-CG 3.4Å; K642-Q646 PolarHBondContact O-N 3.42Å; I643-Q646 WeakPolarHBondContact O-CB 3.41Å; I643-Q646 PolarHBondContact O-N 2.79Å; I643-Q646 VanDerWaalsContact O-N 3.1Å; S644-Q646 VanDerWaalsContact C-N 3.32Å; S644-Q646 PolarHBondContact O-N 3.45Å; Q646-I648 VanDerWaalsContact C-N 3.26Å; Q646-I648 PolarHBondContact O-N 2.69Å; Q646-N649 PolarHBondContact O-N 2.89Å; Q646-F650 WeakPolarHBondContact O-CB 3.31Å; Q646-F650 PolarHBondContact O-N 2.94Å |
| 647 | E | 71.6 | Confident | 72.8 | Confident | 85 Ų | 85 | 54.8 Ų | 54.8 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.3 | -42.7 | 176 | -64.7 | -171.6 | 148.2 | 0 | 0 | 112.1 | I643 S644 K651 Y861 | I643-E647 PolarHBondContact O-N 2.82Å; I643-E647 VanDerWaalsContact O-N 3.15Å; S644-E647 PolarHBondContact O-N 3.09Å; E647-K651 WeakPolarHBondContact O-CG 3.4Å; E647-K651 PolarHBondContact O-N 3.15Å; E647-K651 VanDerWaalsContact O-N 3.09Å; E647-Y861 HydrophobicContact CG-CE2 3.86Å; E647-Y861 PolarHBondContact OE1-OH 3.12Å |
| 648 | I | 73.6 | Confident | 72.3 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 21% | 0.205 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.9 | -45.6 | -176.5 | -77.9 | 175.1 | 0 | 0 | 0 | 111.8 | S644 Q646 K652 H1480 | S644-I648 WeakPolarHBondContact O-CG1 3.47Å; S644-I648 PolarHBondContact O-N 3.34Å; Q646-I648 VanDerWaalsContact C-N 3.26Å; Q646-I648 PolarHBondContact O-N 2.69Å; I648-K652 PolarHBondContact O-N 2.87Å; I648-H1480 HydrophobicContact CD1-CB 3.7Å; I648-H1480 HydrophobicContact CG2-CB 4.13Å; I648-H1480 WeakPolarHBondContact CG2-ND1 2.92Å |
| 649 | N | 68.2 | Low | 72.2 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 177 | -70.1 | -16 | 0 | 0 | 0 | 110.9 | L645 Q646 K651 V653 | L645-N649 WeakPolarHBondContact O-CB 3.2Å; L645-N649 VanDerWaalsContact O-CG 3.31Å; L645-N649 PolarHBondContact O-N 3.38Å; L645-N649 VanDerWaalsContact O-N 3.11Å; L645-N649 PolarHBondContact O-ND2 2.84Å; Q646-N649 PolarHBondContact O-N 2.89Å; N649-K651 PolarHBondContact O-N 3.36Å; N649-V653 WeakPolarHBondContact O-CG2 2.98Å; N649-V653 PolarHBondContact O-N 3.41Å |
| 650 | F | 66.2 | Low | 71.8 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.4 | -47.7 | 175.4 | -176 | -69.2 | 0 | 0 | 0 | 111.5 | N62 Q646 H654 N854 A857 | N62-F650 HydrophobicContact CB-CE1 3.94Å; N62-F650 HydrophobicContact CB-CE2 3.76Å; N62-F650 HydrophobicContact CB-CZ 3.4Å; N62-F650 VanDerWaalsContact CB-CZ 3.4Å; N62-F650 WeakPolarHBondContact ND2-CD1 3.49Å; N62-F650 WeakPolarHBondContact ND2-CD2 3.27Å; N62-F650 WeakPolarHBondContact ND2-CE1 3.31Å; N62-F650 WeakPolarHBondContact ND2-CE2 3.45Å; N62-F650 VanDerWaalsContact ND2-CG 3.31Å; N62-F650 WeakPolarHBondContact ND2-CG 3.42Å; N62-F650 VanDerWaalsContact ND2-CZ 3.34Å; N62-F650 WeakPolarHBondContact ND2-CZ 3.27Å; Q646-F650 WeakPolarHBondContact O-CB 3.31Å; Q646-F650 PolarHBondContact O-N 2.94Å; F650-H654 WeakPolarHBondContact O-CB 3.37Å; F650-H654 PolarHBondContact O-N 2.91Å; F650-H654 VanDerWaalsContact O-N 3.1Å; F650-N854 WeakPolarHBondContact CD2-O 3.17Å; F650-N854 WeakPolarHBondContact CE2-O 3.2Å; F650-A857 HydrophobicContact CD2-CB 4.37Å; F650-A857 HydrophobicContact CE2-CB 4.4Å |
| 651 | K | 71.3 | Confident | 71 | Confident | 129 Ų | 129 | 59.2 Ų | 59.2 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.9 | -50.9 | 179.5 | -75.2 | 178.6 | 179 | 175.5 | 0 | 113.1 | E647 N649 V653 H654 E655 | E647-K651 WeakPolarHBondContact O-CG 3.4Å; E647-K651 PolarHBondContact O-N 3.15Å; E647-K651 VanDerWaalsContact O-N 3.09Å; N649-K651 PolarHBondContact O-N 3.36Å; K651-V653 VanDerWaalsContact C-N 3.3Å; K651-V653 PolarHBondContact O-N 2.9Å; K651-H654 WeakPolarHBondContact O-CA 3.45Å; K651-H654 WeakPolarHBondContact O-CB 3.17Å; K651-H654 PolarHBondContact O-N 3.3Å; K651-E655 PolarHBondContact O-N 2.9Å; K651-E655 VanDerWaalsContact O-N 3.11Å |
| 652 | K | 72.4 | Confident | 70.7 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 34% | 0.343 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.2 | -42.5 | -177.2 | -83.5 | -165.9 | 165.6 | -138.3 | 0 | 113.1 | I648 H654 E656 F1479 | I648-K652 PolarHBondContact O-N 2.87Å; K652-H654 VanDerWaalsContact C-N 3.27Å; K652-E656 PolarHBondContact O-N 3.5Å; K652-F1479 HydrophobicContact CD-CB 3.79Å; K652-F1479 HydrophobicContact CD-CD1 4.02Å; K652-F1479 HydrophobicContact CD-CD2 3.59Å; K652-F1479 HydrophobicContact CD-CE2 4.12Å; K652-F1479 HydrophobicContact CD-CG 3.52Å |
| 653 | V | 66.7 | Low | 70.5 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -81.9 | -12.1 | 178.9 | -161.8 | 0 | 0 | 0 | 0 | 110.9 | N64 M65 N649 K651 | N64-V653 CarbonylContact C-O 3.37Å; N64-V653 WeakPolarHBondContact CB-O 3.37Å; M65-V653 HydrophobicContact CB-CB 4.38Å; M65-V653 HydrophobicContact CB-CG1 3.75Å; M65-V653 HydrophobicContact CG-CB 3.91Å; M65-V653 HydrophobicContact CG-CG1 3.85Å; N649-V653 WeakPolarHBondContact O-CG2 2.98Å; N649-V653 PolarHBondContact O-N 3.41Å; K651-V653 VanDerWaalsContact C-N 3.3Å; K651-V653 PolarHBondContact O-N 2.9Å |
| 654 | H | 67.6 | Low | 70 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -61.7 | 164 | -148.8 | -84 | 0 | 0 | 0 | 111 | N64 F650 K651 K652 E656 M657 E658 | N64-H654 VanDerWaalsContact CB-CA 3.44Å; N64-H654 HydrophobicContact CB-CB 4.35Å; N64-H654 WeakPolarHBondContact CB-O 3.48Å; N64-H654 PolarHBondContact ND2-CE1 3.31Å; N64-H654 PolarHBondContact ND2-ND1 2.88Å; N64-H654 PolarHBondContact ND2-NE2 3.33Å; F650-H654 WeakPolarHBondContact O-CB 3.37Å; F650-H654 PolarHBondContact O-N 2.91Å; F650-H654 VanDerWaalsContact O-N 3.1Å; K651-H654 WeakPolarHBondContact O-CA 3.45Å; K651-H654 WeakPolarHBondContact O-CB 3.17Å; K651-H654 PolarHBondContact O-N 3.3Å; K652-H654 VanDerWaalsContact C-N 3.27Å; H654-E656 PolarHBondContact O-N 2.73Å; H654-E656 VanDerWaalsContact O-N 3.17Å; H654-M657 PolarHBondContact O-N 3.09Å; H654-M657 VanDerWaalsContact O-N 3.14Å; H654-E658 IonicContact CE1-OE1 2.69Å; H654-E658 PolarHBondContact CE1-OE1 3.01Å; H654-E658 IonicContact CE1-OE2 3.68Å; H654-E658 VanDerWaalsContact ND1-CD 3.33Å; H654-E658 IonicContact ND1-OE1 2.72Å; H654-E658 PolarHBondContact ND1-OE1 3.13Å; H654-E658 IonicContact ND1-OE2 2.7Å; H654-E658 PolarHBondContact ND1-OE2 3.3Å; H654-E658 PolarHBondContact O-N 3.07Å |
| 655 | E | 72.9 | Confident | 69.6 | Low | 115 Ų | 115 | 67.2 Ų | 67.2 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -23.9 | -175.6 | -63.8 | 158.5 | -167.7 | 0 | 0 | 113.2 | K651 R659 | K651-E655 PolarHBondContact O-N 2.9Å; K651-E655 VanDerWaalsContact O-N 3.11Å; E655-R659 PolarHBondContact O-NH2 3.07Å |
| 656 | E | 71.1 | Confident | 69.6 | Low | 70 Ų | 70 | 68.7 Ų | 68.7 | 33% | 0.327 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 176.1 | 179.8 | 50.7 | -144.1 | 0 | 0 | 112.6 | K652 H654 R659 Q660 | K652-E656 PolarHBondContact O-N 3.5Å; H654-E656 PolarHBondContact O-N 2.73Å; H654-E656 VanDerWaalsContact O-N 3.17Å; E656-R659 WeakPolarHBondContact O-CB 3.37Å; E656-R659 IonicContact OE1-NH1 3.33Å; E656-R659 IonicContact OE2-CZ 3.96Å; E656-R659 IonicContact OE2-NH1 2.9Å; E656-R659 PolarHBondContact OE2-NH1 2.35Å; E656-R659 IonicContact OE2-NH2 2.66Å; E656-R659 PolarHBondContact OE2-NH2 2.94Å; E656-Q660 WeakPolarHBondContact O-CG 3.49Å; E656-Q660 PolarHBondContact O-N 3.19Å; E656-Q660 PolarHBondContact OE1-NE2 3.05Å |
| 657 | M | 63.2 | Low | 69.8 | Low | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -106.5 | -21.8 | -159.9 | -160.4 | -133.2 | 83.9 | 0 | 0 | 114.6 | E63 N64 A67 F68 H654 R659 Q660 L661 Y847 | E63-M657 WeakPolarHBondContact O-CE 3.21Å; N64-M657 WeakPolarHBondContact CA-SD 3.31Å; N64-M657 HydrophobicContact CB-CB 3.92Å; N64-M657 HydrophobicContact CB-SD 4.42Å; N64-M657 WeakPolarHBondContact O-CB 3.48Å; N64-M657 VanDerWaalsContact O-CG 3.27Å; N64-M657 WeakPolarHBondContact O-CG 3.41Å; N64-M657 WeakPolarHBondContact OD1-CE 3.42Å; A67-M657 WeakPolarHBondContact CA-SD 3.36Å; A67-M657 HydrophobicContact CB-CE 3.43Å; A67-M657 VanDerWaalsContact CB-CE 3.43Å; A67-M657 HydrophobicContact CB-CG 4.4Å; A67-M657 HydrophobicContact CB-SD 3.19Å; A67-M657 WeakPolarHBondContact CB-SD 3.33Å; A67-M657 PolarHBondContact N-SD 2.91Å; F68-M657 HydrophobicContact CB-CB 4.44Å; F68-M657 HydrophobicContact CB-CG 3.87Å; F68-M657 HydrophobicContact CB-SD 4.44Å; F68-M657 PolarHBondContact N-SD 2.88Å; H654-M657 PolarHBondContact O-N 3.09Å; H654-M657 VanDerWaalsContact O-N 3.14Å; M657-R659 PolarHBondContact O-N 2.94Å; M657-Q660 HydrophobicContact CG-CB 4.16Å; M657-Q660 PolarHBondContact O-N 3.28Å; M657-Q660 VanDerWaalsContact O-N 3.07Å; M657-L661 HydrophobicContact CE-CB 4.38Å; M657-L661 PolarHBondContact O-N 3.09Å; M657-Y847 HydrophobicContact CE-CD2 3.49Å; M657-Y847 VanDerWaalsContact CE-CD2 3.49Å; M657-Y847 HydrophobicContact CE-CE2 3.51Å |
| 658 | E | 68.7 | Low | 69.4 | Low | 84 Ų | 84 | 66.5 Ų | 66.5 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -49 | -48.7 | 156.9 | -87.4 | 151 | 165.1 | 0 | 0 | 109 | N64 H654 Q660 L661 E662 | N64-E658 VanDerWaalsContact ND2-CD 3.31Å; N64-E658 WeakPolarHBondContact ND2-CG 3.49Å; N64-E658 PolarHBondContact ND2-OE1 2.95Å; N64-E658 PolarHBondContact OD1-N 3.12Å; N64-E658 VanDerWaalsContact OD1-N 3.11Å; H654-E658 IonicContact CE1-OE1 2.69Å; H654-E658 PolarHBondContact CE1-OE1 3.01Å; H654-E658 IonicContact CE1-OE2 3.68Å; H654-E658 VanDerWaalsContact ND1-CD 3.33Å; H654-E658 IonicContact ND1-OE1 2.72Å; H654-E658 PolarHBondContact ND1-OE1 3.13Å; H654-E658 IonicContact ND1-OE2 2.7Å; H654-E658 PolarHBondContact ND1-OE2 3.3Å; H654-E658 PolarHBondContact O-N 3.07Å; E658-Q660 VanDerWaalsContact C-N 3.35Å; E658-Q660 PolarHBondContact O-N 2.91Å; E658-L661 PolarHBondContact O-N 3.13Å; E658-E662 WeakPolarHBondContact O-CG 3.41Å; E658-E662 PolarHBondContact O-N 3.27Å |
| 659 | R | 74.7 | Confident | 69.3 | Low | 111 Ų | 111 | 67.4 Ų | 67.4 | 42% | 0.419 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -36.7 | 175.6 | -146.1 | -170.2 | -45 | 120.4 | 8.7 | 113.7 | E655 E656 M657 N663 | E655-R659 PolarHBondContact O-NH2 3.07Å; E656-R659 WeakPolarHBondContact O-CB 3.37Å; E656-R659 IonicContact OE1-NH1 3.33Å; E656-R659 IonicContact OE2-CZ 3.96Å; E656-R659 IonicContact OE2-NH1 2.9Å; E656-R659 PolarHBondContact OE2-NH1 2.35Å; E656-R659 IonicContact OE2-NH2 2.66Å; E656-R659 PolarHBondContact OE2-NH2 2.94Å; M657-R659 PolarHBondContact O-N 2.94Å; R659-N663 WeakPolarHBondContact O-CB 3.08Å; R659-N663 VanDerWaalsContact O-CG 3.25Å; R659-N663 PolarHBondContact O-N 2.98Å; R659-N663 VanDerWaalsContact O-N 3.11Å; R659-N663 PolarHBondContact O-ND2 2.73Å |
| 660 | Q | 67.6 | Low | 69.6 | Low | 24 Ų | 24 | 72.3 Ų | 72.3 | 11% | 0.112 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.2 | -39 | 176.5 | -69.5 | 177 | 13.6 | 0 | 0 | 111.8 | R71 E656 M657 E658 A664 | R71-Q660 PolarHBondContact NH1-O 3.45Å; E656-Q660 WeakPolarHBondContact O-CG 3.49Å; E656-Q660 PolarHBondContact O-N 3.19Å; E656-Q660 PolarHBondContact OE1-NE2 3.05Å; M657-Q660 HydrophobicContact CG-CB 4.16Å; M657-Q660 PolarHBondContact O-N 3.28Å; M657-Q660 VanDerWaalsContact O-N 3.07Å; E658-Q660 VanDerWaalsContact C-N 3.35Å; E658-Q660 PolarHBondContact O-N 2.91Å; Q660-A664 WeakPolarHBondContact O-CB 3.17Å; Q660-A664 PolarHBondContact O-N 3.48Å; Q660-A664 VanDerWaalsContact O-N 3.09Å |
| 661 | L | 63.3 | Low | 69.9 | Low | 31 Ų | 31 | 72 Ų | 72 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.6 | -48.5 | 175.7 | -173.7 | 73.6 | 0 | 0 | 0 | 110.9 | M657 E658 N663 A664 H665 L843 Y847 | M657-L661 HydrophobicContact CE-CB 4.38Å; M657-L661 PolarHBondContact O-N 3.09Å; E658-L661 PolarHBondContact O-N 3.13Å; L661-N663 PolarHBondContact O-N 3.47Å; L661-A664 PolarHBondContact O-N 2.57Å; L661-H665 WeakPolarHBondContact O-CB 3.34Å; L661-H665 PolarHBondContact O-N 3.03Å; L661-L843 HydrophobicContact CD1-CD2 4.46Å; L661-Y847 HydrophobicContact CD1-CD2 3.85Å; L661-Y847 HydrophobicContact CD1-CG 4.22Å; L661-Y847 HydrophobicContact CD2-CD2 3.85Å; L661-Y847 HydrophobicContact CD2-CE2 3.66Å; L661-Y847 HydrophobicContact CG-CD2 4.35Å |
| 662 | E | 72.5 | Confident | 70 | Confident | 131 Ų | 131 | 72.7 Ų | 72.7 | 61% | 0.612 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -54.6 | -50.2 | 175.8 | -74.3 | 178.2 | 153.8 | 0 | 0 | 111.8 | E658 A664 H665 A666 | E658-E662 WeakPolarHBondContact O-CG 3.41Å; E658-E662 PolarHBondContact O-N 3.27Å; E662-A664 VanDerWaalsContact C-N 3.34Å; E662-A664 PolarHBondContact O-N 3.09Å; E662-H665 PolarHBondContact O-N 2.71Å; E662-A666 WeakPolarHBondContact O-CB 3.48Å; E662-A666 PolarHBondContact O-N 2.01Å |
| 663 | N | 73.6 | Confident | 70 | Confident | 100 Ų | 100 | 72.4 Ų | 72.4 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 178 | -79 | -39.5 | 0 | 0 | 0 | 112.4 | R659 L661 A666 E667 | R659-N663 WeakPolarHBondContact O-CB 3.08Å; R659-N663 VanDerWaalsContact O-CG 3.25Å; R659-N663 PolarHBondContact O-N 2.98Å; R659-N663 VanDerWaalsContact O-N 3.11Å; R659-N663 PolarHBondContact O-ND2 2.73Å; L661-N663 PolarHBondContact O-N 3.47Å; N663-A666 PolarHBondContact O-N 3.49Å; N663-E667 WeakPolarHBondContact O-CB 3.1Å; N663-E667 PolarHBondContact O-N 2.79Å |
| 664 | A | 64.8 | Low | 70.5 | Confident | 8 Ų | 8 | 77.9 Ų | 77.9 | 7% | 0.066 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.6 | -39.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q660 L661 E662 A666 E667 A668 L843 | Q660-A664 WeakPolarHBondContact O-CB 3.17Å; Q660-A664 PolarHBondContact O-N 3.48Å; Q660-A664 VanDerWaalsContact O-N 3.09Å; L661-A664 PolarHBondContact O-N 2.57Å; E662-A664 VanDerWaalsContact C-N 3.34Å; E662-A664 PolarHBondContact O-N 3.09Å; A664-A666 VanDerWaalsContact C-N 3.33Å; A664-A666 PolarHBondContact O-N 3.02Å; A664-E667 PolarHBondContact O-N 3.17Å; A664-A668 WeakPolarHBondContact O-CB 3.49Å; A664-A668 PolarHBondContact O-N 3.15Å; A664-L843 HydrophobicContact CB-CD1 4.46Å; A664-L843 HydrophobicContact CB-CD2 3.41Å; A664-L843 VanDerWaalsContact CB-CD2 3.41Å |
| 665 | H | 68.8 | Low | 70.8 | Confident | 91 Ų | 91 | 75.9 Ų | 75.9 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 174.1 | -74.9 | 177.6 | 0 | 0 | 0 | 111.9 | L661 E662 A669 | L661-H665 WeakPolarHBondContact O-CB 3.34Å; L661-H665 PolarHBondContact O-N 3.03Å; E662-H665 PolarHBondContact O-N 2.71Å; H665-A669 VanDerWaalsContact O-CB 3.3Å; H665-A669 WeakPolarHBondContact O-CB 3.39Å; H665-A669 PolarHBondContact O-N 2.86Å |
| 666 | A | 74.5 | Confident | 70.9 | Confident | 63 Ų | 63 | 73.8 Ų | 73.8 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E662 N663 A664 A669 K670 | E662-A666 WeakPolarHBondContact O-CB 3.48Å; E662-A666 PolarHBondContact O-N 2.01Å; N663-A666 PolarHBondContact O-N 3.49Å; A664-A666 VanDerWaalsContact C-N 3.33Å; A664-A666 PolarHBondContact O-N 3.02Å; A666-A669 PolarHBondContact O-N 3.5Å; A666-K670 WeakPolarHBondContact O-CB 3.4Å; A666-K670 PolarHBondContact O-N 3.43Å; A666-K670 VanDerWaalsContact O-N 3.11Å |
| 667 | E | 71.9 | Confident | 71.3 | Confident | 109 Ų | 109 | 73.1 Ų | 73.1 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.6 | -179.1 | 170.9 | -158.1 | 0 | 0 | 111.9 | N663 A664 K670 N671 | N663-E667 WeakPolarHBondContact O-CB 3.1Å; N663-E667 PolarHBondContact O-N 2.79Å; A664-E667 PolarHBondContact O-N 3.17Å; E667-K670 PolarHBondContact O-N 2.96Å; E667-N671 WeakPolarHBondContact O-CB 3.39Å; E667-N671 VanDerWaalsContact O-CG 3.3Å; E667-N671 PolarHBondContact O-N 2.83Å; E667-N671 PolarHBondContact O-ND2 3.25Å |
| 668 | A | 64.9 | Low | 71.9 | Confident | 15 Ų | 15 | 74.7 Ų | 74.7 | 12% | 0.124 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.8 | -50.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A664 K670 N671 R672 L840 | A664-A668 WeakPolarHBondContact O-CB 3.49Å; A664-A668 PolarHBondContact O-N 3.15Å; A668-K670 VanDerWaalsContact C-N 3.29Å; A668-K670 PolarHBondContact O-N 2.67Å; A668-N671 PolarHBondContact O-N 2.83Å; A668-R672 VanDerWaalsContact O-CB 3.22Å; A668-R672 WeakPolarHBondContact O-CB 3.36Å; A668-R672 PolarHBondContact O-N 3.04Å; A668-L840 HydrophobicContact CB-CD1 3.69Å; A668-L840 HydrophobicContact CB-CD2 3.29Å; A668-L840 HydrophobicContact CB-CG 3.84Å |
| 669 | A | 70.4 | Confident | 72.2 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 50% | 0.496 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H665 A666 S673 | H665-A669 VanDerWaalsContact O-CB 3.3Å; H665-A669 WeakPolarHBondContact O-CB 3.39Å; H665-A669 PolarHBondContact O-N 2.86Å; A666-A669 PolarHBondContact O-N 3.5Å; A669-S673 WeakPolarHBondContact O-CB 3.46Å; A669-S673 PolarHBondContact O-N 3.1Å |
| 670 | K | 75.2 | Confident | 72.3 | Confident | 157 Ų | 157 | 71.6 Ų | 71.6 | 68% | 0.683 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.8 | -49.6 | 175.8 | -175.9 | -176.5 | 178.2 | -173.6 | 0 | 112.2 | A666 E667 A668 S673 Y674 | A666-K670 WeakPolarHBondContact O-CB 3.4Å; A666-K670 PolarHBondContact O-N 3.43Å; A666-K670 VanDerWaalsContact O-N 3.11Å; E667-K670 PolarHBondContact O-N 2.96Å; A668-K670 VanDerWaalsContact C-N 3.29Å; A668-K670 PolarHBondContact O-N 2.67Å; K670-S673 PolarHBondContact O-N 2.91Å; K670-Y674 PolarHBondContact O-N 3.3Å |
| 671 | N | 71.8 | Confident | 72.8 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | -179.4 | -71 | -20.8 | 0 | 0 | 0 | 111.8 | E667 A668 Y674 L675 | E667-N671 WeakPolarHBondContact O-CB 3.39Å; E667-N671 VanDerWaalsContact O-CG 3.3Å; E667-N671 PolarHBondContact O-N 2.83Å; E667-N671 PolarHBondContact O-ND2 3.25Å; A668-N671 PolarHBondContact O-N 2.83Å; N671-Y674 PolarHBondContact O-N 2.85Å; N671-L675 WeakPolarHBondContact O-CG 3.41Å; N671-L675 PolarHBondContact O-N 3.2Å; N671-L675 VanDerWaalsContact O-N 3.09Å |
| 672 | R | 72.6 | Confident | 73.4 | Confident | 142 Ų | 142 | 78.5 Ų | 78.5 | 54% | 0.536 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61 | -50.5 | 174.3 | 178.8 | 179.6 | 170.5 | 170.1 | 2.9 | 111.5 | A668 Y674 L675 E676 | A668-R672 VanDerWaalsContact O-CB 3.22Å; A668-R672 WeakPolarHBondContact O-CB 3.36Å; A668-R672 PolarHBondContact O-N 3.04Å; R672-Y674 VanDerWaalsContact C-N 3.29Å; R672-Y674 PolarHBondContact O-N 2.88Å; R672-L675 PolarHBondContact O-N 3.17Å; R672-E676 HydrophobicContact CG-CG 4.19Å; R672-E676 IonicContact CZ-OE1 2.69Å; R672-E676 VanDerWaalsContact CZ-OE1 3.22Å; R672-E676 VanDerWaalsContact NE-CD 3.3Å; R672-E676 IonicContact NE-OE1 3.6Å; R672-E676 PolarHBondContact NE-OE1 3.04Å; R672-E676 IonicContact NE-OE2 3.48Å; R672-E676 PolarHBondContact NE-OE2 3.33Å; R672-E676 IonicContact NH2-OE1 2.71Å; R672-E676 PolarHBondContact NH2-OE1 3.06Å; R672-E676 WeakPolarHBondContact O-CB 3.38Å; R672-E676 WeakPolarHBondContact O-CG 3.48Å; R672-E676 PolarHBondContact O-N 3.35Å |
| 673 | S | 73.6 | Confident | 73.6 | Confident | 74 Ų | 74 | 77.5 Ų | 77.5 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -40 | 179.8 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | A669 K670 A677 | A669-S673 WeakPolarHBondContact O-CB 3.46Å; A669-S673 PolarHBondContact O-N 3.1Å; K670-S673 PolarHBondContact O-N 2.91Å; S673-A677 VanDerWaalsContact O-CB 3.28Å; S673-A677 WeakPolarHBondContact O-CB 3.35Å; S673-A677 PolarHBondContact O-N 2.8Å |
| 674 | Y | 76.4 | Confident | 73.8 | Confident | 141 Ų | 141 | 75.7 Ų | 75.7 | 55% | 0.553 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.3 | -47.4 | 175 | 174.6 | -105.3 | 0 | 0 | 0 | 112.8 | K670 N671 R672 A677 E678 | K670-Y674 PolarHBondContact O-N 3.3Å; N671-Y674 PolarHBondContact O-N 2.85Å; R672-Y674 VanDerWaalsContact C-N 3.29Å; R672-Y674 PolarHBondContact O-N 2.88Å; Y674-A677 PolarHBondContact O-N 3.09Å; Y674-E678 HydrophobicContact CE2-CG 4.45Å; Y674-E678 PolarHBondContact O-N 2.88Å |
| 675 | L | 73.9 | Confident | 74.3 | Confident | 12 Ų | 12 | 78.8 Ų | 78.8 | 6% | 0.063 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.7 | -37.9 | -179.8 | -69.6 | 172.7 | 0 | 0 | 0 | 112.6 | N671 R672 E678 I679 L833 K836 | N671-L675 WeakPolarHBondContact O-CG 3.41Å; N671-L675 PolarHBondContact O-N 3.2Å; N671-L675 VanDerWaalsContact O-N 3.09Å; R672-L675 PolarHBondContact O-N 3.17Å; L675-E678 PolarHBondContact O-N 3.39Å; L675-I679 WeakPolarHBondContact O-CB 3.39Å; L675-I679 WeakPolarHBondContact O-CD1 3.28Å; L675-I679 VanDerWaalsContact O-CG1 3.26Å; L675-I679 WeakPolarHBondContact O-CG1 3.18Å; L675-I679 PolarHBondContact O-N 3.47Å; L675-L833 HydrophobicContact CB-CD1 4.12Å; L675-L833 HydrophobicContact CD1-CB 4.14Å; L675-L833 HydrophobicContact CD1-CD1 4.03Å; L675-K836 HydrophobicContact CD1-CG 4.42Å |
| 676 | E | 75.8 | Confident | 74.5 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 172.7 | -74.7 | 177.3 | 151.7 | 0 | 0 | 111.1 | R672 I679 I680 | R672-E676 HydrophobicContact CG-CG 4.19Å; R672-E676 IonicContact CZ-OE1 2.69Å; R672-E676 VanDerWaalsContact CZ-OE1 3.22Å; R672-E676 VanDerWaalsContact NE-CD 3.3Å; R672-E676 IonicContact NE-OE1 3.6Å; R672-E676 PolarHBondContact NE-OE1 3.04Å; R672-E676 IonicContact NE-OE2 3.48Å; R672-E676 PolarHBondContact NE-OE2 3.33Å; R672-E676 IonicContact NH2-OE1 2.71Å; R672-E676 PolarHBondContact NH2-OE1 3.06Å; R672-E676 WeakPolarHBondContact O-CB 3.38Å; R672-E676 WeakPolarHBondContact O-CG 3.48Å; R672-E676 PolarHBondContact O-N 3.35Å; E676-I679 PolarHBondContact O-N 3.08Å; E676-I680 WeakPolarHBondContact O-CB 2.81Å; E676-I680 WeakPolarHBondContact O-CD1 3.27Å; E676-I680 WeakPolarHBondContact O-CG1 3.48Å; E676-I680 PolarHBondContact O-N 3.48Å |
| 677 | A | 79.1 | Confident | 74.5 | Confident | 56 Ų | 56 | 79 Ų | 79 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S673 Y674 I680 K681 | S673-A677 VanDerWaalsContact O-CB 3.28Å; S673-A677 WeakPolarHBondContact O-CB 3.35Å; S673-A677 PolarHBondContact O-N 2.8Å; Y674-A677 PolarHBondContact O-N 3.09Å; A677-I680 PolarHBondContact O-N 3.34Å; A677-K681 WeakPolarHBondContact O-CB 3.02Å; A677-K681 PolarHBondContact O-N 2.64Å |
| 678 | E | 75.9 | Confident | 74.5 | Confident | 35 Ų | 35 | 77.6 Ų | 77.6 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 171.7 | -81.5 | -110.7 | 99.7 | 0 | 0 | 111.4 | Y674 L675 I680 K681 W682 K829 | Y674-E678 HydrophobicContact CE2-CG 4.45Å; Y674-E678 PolarHBondContact O-N 2.88Å; L675-E678 PolarHBondContact O-N 3.39Å; E678-I680 VanDerWaalsContact C-N 3.33Å; E678-I680 PolarHBondContact O-N 3.33Å; E678-K681 WeakPolarHBondContact O-CB 3.38Å; E678-K681 PolarHBondContact O-N 3.13Å; E678-W682 PolarHBondContact O-N 2.85Å; E678-K829 VanDerWaalsContact OE2-CE 3.26Å; E678-K829 WeakPolarHBondContact OE2-CE 3.42Å; E678-K829 IonicContact OE2-NZ 2.75Å; E678-K829 PolarHBondContact OE2-NZ 3.36Å |
| 679 | I | 74.8 | Confident | 74.7 | Confident | 17 Ų | 17 | 80.5 Ų | 80.5 | 9% | 0.087 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.7 | -37.7 | -179.3 | -71.2 | 166.3 | 0 | 0 | 0 | 111.5 | L675 E676 K683 K829 L833 | L675-I679 WeakPolarHBondContact O-CB 3.39Å; L675-I679 WeakPolarHBondContact O-CD1 3.28Å; L675-I679 VanDerWaalsContact O-CG1 3.26Å; L675-I679 WeakPolarHBondContact O-CG1 3.18Å; L675-I679 PolarHBondContact O-N 3.47Å; E676-I679 PolarHBondContact O-N 3.08Å; I679-K683 HydrophobicContact CG2-CD 3.93Å; I679-K683 HydrophobicContact CG2-CG 4.48Å; I679-K683 WeakPolarHBondContact O-CB 3.36Å; I679-K683 VanDerWaalsContact O-CG 3.23Å; I679-K683 WeakPolarHBondContact O-CG 3.38Å; I679-K683 PolarHBondContact O-N 3.49Å; I679-K829 HydrophobicContact CG1-CB 4.31Å; I679-L833 HydrophobicContact CD1-CB 4.45Å; I679-L833 HydrophobicContact CD1-CD2 3.76Å |
| 680 | I | 77.7 | Confident | 74.7 | Confident | 112 Ų | 112 | 81 Ų | 81 | 57% | 0.574 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 173.9 | -71.8 | 164 | 0 | 0 | 0 | 110.8 | E676 A677 E678 W682 K683 S684 | E676-I680 WeakPolarHBondContact O-CB 2.81Å; E676-I680 WeakPolarHBondContact O-CD1 3.27Å; E676-I680 WeakPolarHBondContact O-CG1 3.48Å; E676-I680 PolarHBondContact O-N 3.48Å; A677-I680 PolarHBondContact O-N 3.34Å; E678-I680 VanDerWaalsContact C-N 3.33Å; E678-I680 PolarHBondContact O-N 3.33Å; I680-W682 PolarHBondContact O-N 3.35Å; I680-K683 PolarHBondContact O-N 3.08Å; I680-S684 PolarHBondContact O-N 3.1Å; I680-S684 PolarHBondContact O-OG 2.92Å |
| 681 | K | 78.2 | Confident | 74.6 | Confident | 134 Ų | 134 | 76.3 Ų | 76.3 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.1 | -41.5 | 178.1 | 177.7 | -172.7 | 172.1 | -167 | 0 | 112.7 | A677 E678 S684 L685 | A677-K681 WeakPolarHBondContact O-CB 3.02Å; A677-K681 PolarHBondContact O-N 2.64Å; E678-K681 WeakPolarHBondContact O-CB 3.38Å; E678-K681 PolarHBondContact O-N 3.13Å; K681-S684 PolarHBondContact O-OG 3.19Å; K681-L685 WeakPolarHBondContact O-CB 3.09Å; K681-L685 PolarHBondContact O-N 3.23Å |
| 682 | W | 74.3 | Confident | 74.2 | Confident | 67 Ų | 67 | 76.2 Ų | 76.2 | 25% | 0.254 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.8 | -40.1 | 175.1 | -75.3 | 107.9 | 0 | 0 | 0 | 111.8 | E678 I680 L685 A686 Y822 T825 | E678-W682 PolarHBondContact O-N 2.85Å; I680-W682 PolarHBondContact O-N 3.35Å; W682-L685 HydrophobicContact CE3-CD2 4.27Å; W682-L685 HydrophobicContact CZ3-CD2 4.27Å; W682-L685 PolarHBondContact O-N 3.11Å; W682-A686 PolarHBondContact O-N 3.25Å; W682-Y822 HydrophobicContact CB-CD2 4.41Å; W682-Y822 HydrophobicContact CB-CE2 4.06Å; W682-Y822 HydrophobicContact CE3-CD2 4.36Å; W682-Y822 VanDerWaalsContact O-CE2 3.25Å; W682-Y822 WeakPolarHBondContact O-CE2 2.92Å; W682-T825 HydrophobicContact CD2-CG2 4.31Å; W682-T825 HydrophobicContact CH2-CG2 4.29Å; W682-T825 HydrophobicContact CZ2-CG2 3.81Å |
| 683 | K | 76.7 | Confident | 73.9 | Confident | 109 Ų | 109 | 72.6 Ų | 72.6 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.4 | -78.8 | 171.9 | 179.4 | 173.4 | 0 | 113 | I679 I680 A686 Q687 | I679-K683 HydrophobicContact CG2-CD 3.93Å; I679-K683 HydrophobicContact CG2-CG 4.48Å; I679-K683 WeakPolarHBondContact O-CB 3.36Å; I679-K683 VanDerWaalsContact O-CG 3.23Å; I679-K683 WeakPolarHBondContact O-CG 3.38Å; I679-K683 PolarHBondContact O-N 3.49Å; I680-K683 PolarHBondContact O-N 3.08Å; K683-A686 PolarHBondContact O-N 2.96Å; K683-Q687 WeakPolarHBondContact O-CB 3.26Å; K683-Q687 VanDerWaalsContact O-CG 3.32Å; K683-Q687 WeakPolarHBondContact O-CG 3.29Å; K683-Q687 PolarHBondContact O-N 3.48Å |
| 684 | S | 77.7 | Confident | 73.5 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 44% | 0.441 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 179.2 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | I680 K681 Q687 S688 | I680-S684 PolarHBondContact O-N 3.1Å; I680-S684 PolarHBondContact O-OG 2.92Å; K681-S684 PolarHBondContact O-OG 3.19Å; S684-Q687 PolarHBondContact O-N 3.26Å; S684-S688 PolarHBondContact O-N 2.98Å |
| 685 | L | 76.3 | Confident | 72.8 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 38% | 0.377 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 172.5 | -173.5 | 63.4 | 0 | 0 | 0 | 111.1 | K681 W682 Q687 S688 E689 F818 | K681-L685 WeakPolarHBondContact O-CB 3.09Å; K681-L685 PolarHBondContact O-N 3.23Å; W682-L685 HydrophobicContact CE3-CD2 4.27Å; W682-L685 HydrophobicContact CZ3-CD2 4.27Å; W682-L685 PolarHBondContact O-N 3.11Å; L685-Q687 VanDerWaalsContact C-N 3.34Å; L685-Q687 PolarHBondContact O-N 2.92Å; L685-S688 WeakPolarHBondContact O-CB 3.24Å; L685-S688 PolarHBondContact O-N 3.18Å; L685-E689 WeakPolarHBondContact O-CG 3.39Å; L685-E689 PolarHBondContact O-N 3.5Å; L685-F818 HydrophobicContact CD2-CE2 4.29Å; L685-F818 HydrophobicContact CD2-CZ 3.76Å; L685-F818 HydrophobicContact CG-CZ 3.91Å |
| 686 | A | 72 | Confident | 72 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.9 | -28.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W682 K683 E690 Y822 | W682-A686 PolarHBondContact O-N 3.25Å; K683-A686 PolarHBondContact O-N 2.96Å; A686-E690 VanDerWaalsContact O-CB 3.25Å; A686-E690 WeakPolarHBondContact O-CB 3.2Å; A686-E690 PolarHBondContact O-N 2.99Å; A686-Y822 HydrophobicContact CB-CD1 3.77Å; A686-Y822 HydrophobicContact CB-CD2 3.74Å; A686-Y822 HydrophobicContact CB-CE1 3.45Å; A686-Y822 VanDerWaalsContact CB-CE1 3.45Å; A686-Y822 HydrophobicContact CB-CE2 3.41Å; A686-Y822 VanDerWaalsContact CB-CE2 3.41Å; A686-Y822 HydrophobicContact CB-CG 3.91Å |
| 687 | Q | 74.7 | Confident | 71.3 | Confident | 142 Ų | 142 | 74.2 Ų | 74.2 | 66% | 0.664 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.1 | -36.6 | 170.8 | -77.9 | 175.8 | -27.8 | 0 | 0 | 111.9 | K683 S684 L685 A691 | K683-Q687 WeakPolarHBondContact O-CB 3.26Å; K683-Q687 VanDerWaalsContact O-CG 3.32Å; K683-Q687 WeakPolarHBondContact O-CG 3.29Å; K683-Q687 PolarHBondContact O-N 3.48Å; S684-Q687 PolarHBondContact O-N 3.26Å; L685-Q687 VanDerWaalsContact C-N 3.34Å; L685-Q687 PolarHBondContact O-N 2.92Å; Q687-A691 WeakPolarHBondContact O-CB 3.46Å; Q687-A691 PolarHBondContact O-N 3.44Å |
| 688 | S | 72.9 | Confident | 70.2 | Confident | 79 Ų | 79 | 77.3 Ų | 77.3 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.4 | -45 | 173.5 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | S684 L685 A691 A692 | S684-S688 PolarHBondContact O-N 2.98Å; L685-S688 WeakPolarHBondContact O-CB 3.24Å; L685-S688 PolarHBondContact O-N 3.18Å; S688-A691 PolarHBondContact O-N 3.01Å; S688-A692 WeakPolarHBondContact O-CB 3.1Å; S688-A692 PolarHBondContact O-N 3.38Å |
| 689 | E | 69.7 | Low | 69.1 | Low | 77 Ų | 77 | 78.7 Ų | 78.7 | 36% | 0.36 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 176.9 | -66.7 | -73 | 159.5 | 0 | 0 | 111.9 | L685 A691 A692 R693 F818 | L685-E689 WeakPolarHBondContact O-CG 3.39Å; L685-E689 PolarHBondContact O-N 3.5Å; E689-A691 VanDerWaalsContact C-N 3.34Å; E689-A691 PolarHBondContact O-N 3.26Å; E689-A692 WeakPolarHBondContact O-CB 3.49Å; E689-A692 PolarHBondContact O-N 2.84Å; E689-R693 WeakPolarHBondContact O-CB 3.31Å; E689-R693 PolarHBondContact O-N 2.81Å; E689-F818 HydrophobicContact CB-CE1 4.34Å; E689-F818 HydrophobicContact CG-CD1 4.09Å; E689-F818 HydrophobicContact CG-CE1 3.71Å; E689-F818 HydrophobicContact CG-CZ 4.28Å |
| 690 | E | 70.2 | Confident | 68 | Low | 70 Ų | 70 | 79.2 Ų | 79.2 | 33% | 0.327 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67 | -33.5 | 176 | -179.5 | 59.9 | -153.6 | 0 | 0 | 112.2 | A686 R693 Q694 | A686-E690 VanDerWaalsContact O-CB 3.25Å; A686-E690 WeakPolarHBondContact O-CB 3.2Å; A686-E690 PolarHBondContact O-N 2.99Å; E690-R693 PolarHBondContact O-N 2.86Å; E690-R693 IonicContact OE1-CZ 2.64Å; E690-R693 IonicContact OE1-NE 2.94Å; E690-R693 PolarHBondContact OE1-NE 2.83Å; E690-R693 IonicContact OE1-NH2 3.82Å; E690-R693 PolarHBondContact OE1-NH2 3.25Å; E690-R693 IonicContact OE2-CZ 3.21Å; E690-R693 IonicContact OE2-NE 2.87Å; E690-R693 PolarHBondContact OE2-NE 2.92Å; E690-R693 IonicContact OE2-NH2 3.86Å; E690-Q694 WeakPolarHBondContact O-CB 3.39Å; E690-Q694 VanDerWaalsContact O-CG 3.3Å; E690-Q694 WeakPolarHBondContact O-CG 3.36Å; E690-Q694 PolarHBondContact O-N 2.8Å; E690-Q694 WeakPolarHBondContact OE1-CG 3.48Å; E690-Q694 PolarHBondContact OE1-NE2 3.26Å |
| 691 | A | 71.8 | Confident | 66.9 | Low | 58 Ų | 58 | 77.4 Ų | 77.4 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q687 S688 E689 S695 | Q687-A691 WeakPolarHBondContact O-CB 3.46Å; Q687-A691 PolarHBondContact O-N 3.44Å; S688-A691 PolarHBondContact O-N 3.01Å; E689-A691 VanDerWaalsContact C-N 3.34Å; E689-A691 PolarHBondContact O-N 3.26Å; A691-S695 VanDerWaalsContact O-CB 3.29Å; A691-S695 WeakPolarHBondContact O-CB 3.2Å; A691-S695 PolarHBondContact O-N 3.34Å |
| 692 | A | 64.4 | Low | 65.8 | Low | 53 Ų | 53 | 74.6 Ų | 74.6 | 44% | 0.438 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | S688 E689 S695 A696 | S688-A692 WeakPolarHBondContact O-CB 3.1Å; S688-A692 PolarHBondContact O-N 3.38Å; E689-A692 WeakPolarHBondContact O-CB 3.49Å; E689-A692 PolarHBondContact O-N 2.84Å; A692-S695 WeakPolarHBondContact O-CB 3.37Å; A692-S695 PolarHBondContact O-N 2.71Å; A692-A696 PolarHBondContact O-N 3.14Å |
| 693 | R | 66.1 | Low | 65.1 | Low | 67 Ų | 67 | 74.9 Ų | 74.9 | 25% | 0.253 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 175.8 | -162.8 | -173.7 | 78.8 | 63.8 | 23.8 | 112.2 | E689 E690 S695 A696 E697 E815 | E689-R693 WeakPolarHBondContact O-CB 3.31Å; E689-R693 PolarHBondContact O-N 2.81Å; E690-R693 PolarHBondContact O-N 2.86Å; E690-R693 IonicContact OE1-CZ 2.64Å; E690-R693 IonicContact OE1-NE 2.94Å; E690-R693 PolarHBondContact OE1-NE 2.83Å; E690-R693 IonicContact OE1-NH2 3.82Å; E690-R693 PolarHBondContact OE1-NH2 3.25Å; E690-R693 IonicContact OE2-CZ 3.21Å; E690-R693 IonicContact OE2-NE 2.87Å; E690-R693 PolarHBondContact OE2-NE 2.92Å; E690-R693 IonicContact OE2-NH2 3.86Å; R693-S695 VanDerWaalsContact C-N 3.34Å; R693-S695 PolarHBondContact O-N 3.04Å; R693-A696 PolarHBondContact O-N 2.87Å; R693-E697 IonicContact CZ-OE1 3.17Å; R693-E697 IonicContact CZ-OE2 3.18Å; R693-E697 IonicContact NH1-OE1 2.75Å; R693-E697 PolarHBondContact NH1-OE1 3.41Å; R693-E697 IonicContact NH1-OE2 3.88Å; R693-E697 PolarHBondContact NH1-OE2 2.84Å; R693-E697 IonicContact NH2-OE2 3.28Å; R693-E697 PolarHBondContact NH2-OE2 2.99Å; R693-E697 WeakPolarHBondContact O-CG 3.49Å; R693-E697 PolarHBondContact O-N 3.21Å; R693-E815 WeakPolarHBondContact CG-OE2 3.36Å |
| 694 | Q | 65.4 | Low | 64.2 | Low | 100 Ų | 100 | 74 Ų | 74 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 176.9 | -73.2 | 178.7 | 21.7 | 0 | 0 | 112.5 | E690 T698 | E690-Q694 WeakPolarHBondContact O-CB 3.39Å; E690-Q694 VanDerWaalsContact O-CG 3.3Å; E690-Q694 WeakPolarHBondContact O-CG 3.36Å; E690-Q694 PolarHBondContact O-N 2.8Å; E690-Q694 WeakPolarHBondContact OE1-CG 3.48Å; E690-Q694 PolarHBondContact OE1-NE2 3.26Å; Q694-T698 WeakPolarHBondContact O-CB 3.32Å; Q694-T698 WeakPolarHBondContact O-CG2 3.26Å; Q694-T698 PolarHBondContact O-N 3.48Å; Q694-T698 PolarHBondContact O-OG1 3.21Å |
| 695 | S | 61.3 | Low | 63.2 | Low | 78 Ų | 78 | 71.9 Ų | 71.9 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 171.8 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | A691 A692 R693 T698 A699 | A691-S695 VanDerWaalsContact O-CB 3.29Å; A691-S695 WeakPolarHBondContact O-CB 3.2Å; A691-S695 PolarHBondContact O-N 3.34Å; A692-S695 WeakPolarHBondContact O-CB 3.37Å; A692-S695 PolarHBondContact O-N 2.71Å; R693-S695 VanDerWaalsContact C-N 3.34Å; R693-S695 PolarHBondContact O-N 3.04Å; S695-T698 PolarHBondContact O-N 3.38Å; S695-T698 PolarHBondContact O-OG1 3.4Å; S695-A699 VanDerWaalsContact O-CB 3.29Å; S695-A699 WeakPolarHBondContact O-CB 3.44Å; S695-A699 PolarHBondContact O-N 3.15Å |
| 696 | A | 57.8 | Low | 62.5 | Low | 47 Ų | 47 | 71 Ų | 71 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A692 R693 | A692-A696 PolarHBondContact O-N 3.14Å; R693-A696 PolarHBondContact O-N 2.87Å |
| 697 | E | 60.5 | Low | 62.1 | Low | 105 Ų | 105 | 72.5 Ų | 72.5 | 49% | 0.491 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.9 | -45.8 | 174.6 | -74.2 | -175.2 | 142.8 | 0 | 0 | 112.1 | R693 A699 G700 | R693-E697 IonicContact CZ-OE1 3.17Å; R693-E697 IonicContact CZ-OE2 3.18Å; R693-E697 IonicContact NH1-OE1 2.75Å; R693-E697 PolarHBondContact NH1-OE1 3.41Å; R693-E697 IonicContact NH1-OE2 3.88Å; R693-E697 PolarHBondContact NH1-OE2 2.84Å; R693-E697 IonicContact NH2-OE2 3.28Å; R693-E697 PolarHBondContact NH2-OE2 2.99Å; R693-E697 WeakPolarHBondContact O-CG 3.49Å; R693-E697 PolarHBondContact O-N 3.21Å; E697-A699 VanDerWaalsContact C-N 3.34Å; E697-A699 PolarHBondContact O-N 3.23Å; E697-G700 PolarHBondContact O-N 2.9Å; E697-G700 VanDerWaalsContact O-N 3.17Å |
| 698 | T | 56.4 | Low | 61.3 | Low | 122 Ų | 122 | 68.5 Ų | 68.5 | 75% | 0.748 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -73.6 | -22 | -179.8 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | Q694 S695 G700 | Q694-T698 WeakPolarHBondContact O-CB 3.32Å; Q694-T698 WeakPolarHBondContact O-CG2 3.26Å; Q694-T698 PolarHBondContact O-N 3.48Å; Q694-T698 PolarHBondContact O-OG1 3.21Å; S695-T698 PolarHBondContact O-N 3.38Å; S695-T698 PolarHBondContact O-OG1 3.4Å; T698-G700 PolarHBondContact O-N 2.8Å; T698-G700 VanDerWaalsContact O-N 3.14Å |
| 699 | A | 51.5 | Low | 60.8 | Low | 64 Ų | 64 | 64.9 Ų | 64.9 | 53% | 0.529 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S695 E697 S701 | S695-A699 VanDerWaalsContact O-CB 3.29Å; S695-A699 WeakPolarHBondContact O-CB 3.44Å; S695-A699 PolarHBondContact O-N 3.15Å; E697-A699 VanDerWaalsContact C-N 3.34Å; E697-A699 PolarHBondContact O-N 3.23Å; A699-S701 PolarHBondContact O-N 3Å; A699-S701 PolarHBondContact O-OG 3.38Å |
| 700 | G | 51.6 | Low | 60.7 | Low | 28 Ų | 28 | 66 Ų | 66 | 29% | 0.289 | 42% | 0.416 | S | S | . | . | trans | 69.1 | -7.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E697 T698 I702 A703 V704 | E697-G700 PolarHBondContact O-N 2.9Å; E697-G700 VanDerWaalsContact O-N 3.17Å; T698-G700 PolarHBondContact O-N 2.8Å; T698-G700 VanDerWaalsContact O-N 3.14Å; G700-I702 VanDerWaalsContact C-N 3.28Å; G700-I702 PolarHBondContact O-N 3.09Å; G700-I702 VanDerWaalsContact O-N 3.17Å; G700-A703 PolarHBondContact O-N 3.28Å; G700-A703 VanDerWaalsContact O-N 3.08Å; G700-V704 PolarHBondContact O-N 3.17Å; G700-V704 VanDerWaalsContact O-N 3.08Å | ||
| 701 | S | 54.7 | Low | 60.4 | Low | 74 Ų | 74 | 68.5 Ų | 68.5 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -55.5 | -36.2 | -171.6 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | A699 V704 A705 | A699-S701 PolarHBondContact O-N 3Å; A699-S701 PolarHBondContact O-OG 3.38Å; S701-V704 PolarHBondContact O-N 2.75Å; S701-A705 WeakPolarHBondContact O-CB 3.21Å; S701-A705 PolarHBondContact O-N 3.48Å |
| 702 | I | 56.8 | Low | 59.9 | Low | 75 Ų | 75 | 66.2 Ų | 66.2 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 179.6 | -59.3 | 176.1 | 0 | 0 | 0 | 111.1 | G700 T706 A808 | G700-I702 VanDerWaalsContact C-N 3.28Å; G700-I702 PolarHBondContact O-N 3.09Å; G700-I702 VanDerWaalsContact O-N 3.17Å; I702-T706 VanDerWaalsContact O-CB 3.22Å; I702-T706 WeakPolarHBondContact O-CB 3.26Å; I702-T706 PolarHBondContact O-N 2.69Å; I702-T706 PolarHBondContact O-OG1 2.85Å; I702-A808 HydrophobicContact CD1-CB 4.49Å; I702-A808 HydrophobicContact CG1-CB 4.26Å |
| 703 | A | 57.9 | Low | 59.9 | Low | 72 Ų | 72 | 69.2 Ų | 69.2 | 60% | 0.595 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -69.2 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G700 A707 | G700-A703 PolarHBondContact O-N 3.28Å; G700-A703 VanDerWaalsContact O-N 3.08Å; A703-A707 WeakPolarHBondContact O-CB 3.02Å; A703-A707 PolarHBondContact O-N 3.26Å |
| 704 | V | 59.5 | Low | 59.8 | Low | 92 Ų | 92 | 74.4 Ų | 74.4 | 56% | 0.558 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.4 | -48.3 | 176.8 | 176.4 | 0 | 0 | 0 | 0 | 111 | G700 S701 T706 A707 T708 | G700-V704 PolarHBondContact O-N 3.17Å; G700-V704 VanDerWaalsContact O-N 3.08Å; S701-V704 PolarHBondContact O-N 2.75Å; V704-T706 PolarHBondContact O-N 2.97Å; V704-A707 PolarHBondContact O-N 2.88Å; V704-T708 WeakPolarHBondContact O-CB 3.42Å; V704-T708 PolarHBondContact O-N 3.2Å; V704-T708 PolarHBondContact O-OG1 3.36Å |
| 705 | A | 56.4 | Low | 59.5 | Low | 18 Ų | 18 | 71.5 Ų | 71.5 | 15% | 0.149 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S701 A707 T708 A709 | S701-A705 WeakPolarHBondContact O-CB 3.21Å; S701-A705 PolarHBondContact O-N 3.48Å; A705-A707 PolarHBondContact O-N 3.47Å; A705-T708 PolarHBondContact O-N 3.33Å; A705-A709 VanDerWaalsContact O-CB 3.31Å; A705-A709 WeakPolarHBondContact O-CB 3.48Å; A705-A709 PolarHBondContact O-N 3.27Å |
| 706 | T | 61.8 | Low | 59.4 | Low | 52 Ų | 52 | 72.1 Ų | 72.1 | 32% | 0.319 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 174.5 | -61 | 0 | 0 | 0 | 0 | 111.5 | I702 V704 A709 Q710 | I702-T706 VanDerWaalsContact O-CB 3.22Å; I702-T706 WeakPolarHBondContact O-CB 3.26Å; I702-T706 PolarHBondContact O-N 2.69Å; I702-T706 PolarHBondContact O-OG1 2.85Å; V704-T706 PolarHBondContact O-N 2.97Å; T706-A709 PolarHBondContact O-N 2.85Å; T706-Q710 WeakPolarHBondContact O-CG 2.86Å; T706-Q710 PolarHBondContact O-N 2.99Å |
| 707 | A | 62.1 | Low | 59.6 | Low | 49 Ų | 49 | 74.3 Ų | 74.3 | 41% | 0.405 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A703 V704 A705 Q710 L711 | A703-A707 WeakPolarHBondContact O-CB 3.02Å; A703-A707 PolarHBondContact O-N 3.26Å; V704-A707 PolarHBondContact O-N 2.88Å; A705-A707 PolarHBondContact O-N 3.47Å; A707-Q710 PolarHBondContact O-N 3.5Å; A707-L711 WeakPolarHBondContact O-CB 3.42Å; A707-L711 PolarHBondContact O-N 2.85Å |
| 708 | T | 59.6 | Low | 59.4 | Low | 59 Ų | 59 | 71.4 Ų | 71.4 | 36% | 0.362 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | V704 A705 L711 A712 A801 | V704-T708 WeakPolarHBondContact O-CB 3.42Å; V704-T708 PolarHBondContact O-N 3.2Å; V704-T708 PolarHBondContact O-OG1 3.36Å; A705-T708 PolarHBondContact O-N 3.33Å; T708-L711 PolarHBondContact O-N 2.78Å; T708-A712 VanDerWaalsContact O-CB 3.29Å; T708-A712 WeakPolarHBondContact O-CB 3.44Å; T708-A712 PolarHBondContact O-N 3.19Å; T708-A801 HydrophobicContact CG2-CB 4.11Å |
| 709 | A | 61.8 | Low | 59.5 | Low | 3 Ų | 3 | 68.9 Ų | 68.9 | 3% | 0.025 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A705 T706 R713 | A705-A709 VanDerWaalsContact O-CB 3.31Å; A705-A709 WeakPolarHBondContact O-CB 3.48Å; A705-A709 PolarHBondContact O-N 3.27Å; T706-A709 PolarHBondContact O-N 2.85Å; A709-R713 WeakPolarHBondContact O-CB 3.18Å; A709-R713 WeakPolarHBondContact O-CG 3.36Å; A709-R713 PolarHBondContact O-N 3.19Å; A709-R713 PolarHBondContact O-NE 2.96Å |
| 710 | Q | 67 | Low | 59.8 | Low | 100 Ų | 100 | 69.5 Ų | 69.5 | 47% | 0.467 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 170.5 | -73.2 | -179.1 | 19.2 | 0 | 0 | 112.4 | T706 A707 A712 R713 R714 | T706-Q710 WeakPolarHBondContact O-CG 2.86Å; T706-Q710 PolarHBondContact O-N 2.99Å; A707-Q710 PolarHBondContact O-N 3.5Å; Q710-A712 VanDerWaalsContact C-N 3.34Å; Q710-R713 PolarHBondContact O-N 3.05Å; Q710-R714 WeakPolarHBondContact O-CB 3.06Å; Q710-R714 WeakPolarHBondContact O-CG 3.39Å; Q710-R714 PolarHBondContact O-N 3.19Å |
| 711 | L | 63.3 | Low | 60.2 | Low | 122 Ų | 122 | 76.1 Ų | 76.1 | 64% | 0.639 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.1 | -42.7 | 173.4 | -104 | 157.5 | 0 | 0 | 0 | 111.6 | A707 T708 R714 A715 | A707-L711 WeakPolarHBondContact O-CB 3.42Å; A707-L711 PolarHBondContact O-N 2.85Å; T708-L711 PolarHBondContact O-N 2.78Å; L711-R714 PolarHBondContact O-N 2.88Å; L711-A715 WeakPolarHBondContact O-CB 3.33Å; L711-A715 PolarHBondContact O-N 3.27Å |
| 712 | A | 61.3 | Low | 60.2 | Low | 10 Ų | 10 | 78 Ų | 78 | 8% | 0.083 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T708 Q710 R714 A715 V716 A798 | T708-A712 VanDerWaalsContact O-CB 3.29Å; T708-A712 WeakPolarHBondContact O-CB 3.44Å; T708-A712 PolarHBondContact O-N 3.19Å; Q710-A712 VanDerWaalsContact C-N 3.34Å; A712-R714 VanDerWaalsContact C-N 3.3Å; A712-R714 PolarHBondContact O-N 2.66Å; A712-A715 WeakPolarHBondContact O-CA 3.13Å; A712-A715 WeakPolarHBondContact O-CB 3.04Å; A712-A715 PolarHBondContact O-N 3.41Å; A712-V716 WeakPolarHBondContact O-CG2 3.45Å; A712-V716 PolarHBondContact O-N 3.31Å; A712-A798 HydrophobicContact CB-CB 3.28Å |
| 713 | R | 65 | Low | 60.1 | Low | 117 Ų | 117 | 77.2 Ų | 77.2 | 44% | 0.442 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 176.3 | -76.1 | 179.3 | -74.4 | -122.3 | 5.6 | 111.3 | A709 Q710 A715 V716 E717 E802 | A709-R713 WeakPolarHBondContact O-CB 3.18Å; A709-R713 WeakPolarHBondContact O-CG 3.36Å; A709-R713 PolarHBondContact O-N 3.19Å; A709-R713 PolarHBondContact O-NE 2.96Å; Q710-R713 PolarHBondContact O-N 3.05Å; R713-A715 PolarHBondContact O-N 3.25Å; R713-V716 PolarHBondContact O-N 2.97Å; R713-E717 WeakPolarHBondContact O-CB 3.45Å; R713-E717 WeakPolarHBondContact O-CG 3.49Å; R713-E717 PolarHBondContact O-N 3.32Å; R713-E802 IonicContact CZ-OE1 2.66Å; R713-E802 IonicContact NH1-OE1 3.74Å; R713-E802 PolarHBondContact NH1-OE1 2.95Å |
| 714 | R | 63.8 | Low | 60 | Low | 176 Ų | 176 | 82.8 Ų | 82.8 | 66% | 0.664 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.8 | -36.7 | 171.4 | -73.5 | 177.5 | 178.1 | -179.6 | 2.3 | 113.5 | Q710 L711 A712 A718 | Q710-R714 WeakPolarHBondContact O-CB 3.06Å; Q710-R714 WeakPolarHBondContact O-CG 3.39Å; Q710-R714 PolarHBondContact O-N 3.19Å; L711-R714 PolarHBondContact O-N 2.88Å; A712-R714 VanDerWaalsContact C-N 3.3Å; A712-R714 PolarHBondContact O-N 2.66Å; R714-A718 WeakPolarHBondContact O-CB 3.38Å; R714-A718 PolarHBondContact O-N 2.91Å |
| 715 | A | 58.9 | Low | 59.6 | Low | 38 Ų | 38 | 81.9 Ų | 81.9 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.1 | -47.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L711 A712 R713 E717 A718 V719 V794 | L711-A715 WeakPolarHBondContact O-CB 3.33Å; L711-A715 PolarHBondContact O-N 3.27Å; A712-A715 WeakPolarHBondContact O-CA 3.13Å; A712-A715 WeakPolarHBondContact O-CB 3.04Å; A712-A715 PolarHBondContact O-N 3.41Å; R713-A715 PolarHBondContact O-N 3.25Å; A715-E717 PolarHBondContact O-N 3.19Å; A715-A718 CarbonylContact O-C 3.53Å; A715-A718 WeakPolarHBondContact O-CA 3.05Å; A715-A718 WeakPolarHBondContact O-CB 3.28Å; A715-A718 PolarHBondContact O-N 2.94Å; A715-V719 VanDerWaalsContact O-CG2 3.28Å; A715-V719 WeakPolarHBondContact O-CG2 3.17Å; A715-V719 PolarHBondContact O-N 3.47Å; A715-V794 HydrophobicContact CB-CG1 4.5Å |
| 716 | V | 60.3 | Low | 59 | Low | 92 Ų | 92 | 84.6 Ų | 84.6 | 56% | 0.558 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 176.2 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | A712 R713 A718 V719 D720 | A712-V716 WeakPolarHBondContact O-CG2 3.45Å; A712-V716 PolarHBondContact O-N 3.31Å; R713-V716 PolarHBondContact O-N 2.97Å; V716-A718 VanDerWaalsContact C-N 3.28Å; V716-A718 PolarHBondContact O-N 3.32Å; V716-V719 PolarHBondContact O-N 3.4Å; V716-V719 VanDerWaalsContact O-N 3.14Å; V716-D720 PolarHBondContact O-N 2.8Å |
| 717 | E | 61.1 | Low | 58.2 | Low | 92 Ų | 92 | 86.5 Ų | 86.5 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -38.3 | 170.7 | -81.6 | -173.6 | -132.5 | 0 | 0 | 112.6 | R713 A715 R721 | R713-E717 WeakPolarHBondContact O-CB 3.45Å; R713-E717 WeakPolarHBondContact O-CG 3.49Å; R713-E717 PolarHBondContact O-N 3.32Å; A715-E717 PolarHBondContact O-N 3.19Å; E717-R721 WeakPolarHBondContact O-CB 3.08Å; E717-R721 WeakPolarHBondContact O-CD 3.34Å; E717-R721 WeakPolarHBondContact O-CG 3.37Å; E717-R721 PolarHBondContact O-N 2.65Å; E717-R721 IonicContact OE2-CZ 2.66Å; E717-R721 IonicContact OE2-NE 2.76Å; E717-R721 IonicContact OE2-NH2 3.72Å; E717-R721 PolarHBondContact OE2-NH2 3.38Å |
| 718 | A | 57.6 | Low | 56.8 | Low | 45 Ų | 45 | 94.9 Ų | 94.9 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R714 A715 V716 R721 L722 | R714-A718 WeakPolarHBondContact O-CB 3.38Å; R714-A718 PolarHBondContact O-N 2.91Å; A715-A718 CarbonylContact O-C 3.53Å; A715-A718 WeakPolarHBondContact O-CA 3.05Å; A715-A718 WeakPolarHBondContact O-CB 3.28Å; A715-A718 PolarHBondContact O-N 2.94Å; V716-A718 VanDerWaalsContact C-N 3.28Å; V716-A718 PolarHBondContact O-N 3.32Å; A718-R721 PolarHBondContact O-N 2.72Å; A718-L722 WeakPolarHBondContact O-CB 3.33Å; A718-L722 WeakPolarHBondContact O-CD1 3.32Å; A718-L722 VanDerWaalsContact O-CG 3.26Å; A718-L722 WeakPolarHBondContact O-CG 3.49Å; A718-L722 PolarHBondContact O-N 3.31Å |
| 719 | V | 56.7 | Low | 55.9 | Low | 68 Ų | 68 | 100 Ų | 100 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 173.4 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | A715 V716 L722 G723 M791 | A715-V719 VanDerWaalsContact O-CG2 3.28Å; A715-V719 WeakPolarHBondContact O-CG2 3.17Å; A715-V719 PolarHBondContact O-N 3.47Å; V716-V719 PolarHBondContact O-N 3.4Å; V716-V719 VanDerWaalsContact O-N 3.14Å; V719-L722 PolarHBondContact O-N 3.2Å; V719-G723 PolarHBondContact O-N 3.07Å; V719-M791 HydrophobicContact CB-CE 4.26Å; V719-M791 HydrophobicContact CG1-CE 3.93Å; V719-M791 HydrophobicContact CG2-CE 3.37Å |
| 720 | D | 58 | Low | 55.2 | Low | 77 Ų | 77 | 105.2 Ų | 105.2 | 41% | 0.412 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -39.5 | 178.3 | 178.6 | 40.7 | 0 | 0 | 0 | 111.9 | V716 L722 G723 R724 | V716-D720 PolarHBondContact O-N 2.8Å; D720-L722 PolarHBondContact O-N 2.71Å; D720-G723 PolarHBondContact O-N 2.96Å; D720-R724 VanDerWaalsContact O-CG 3.26Å; D720-R724 WeakPolarHBondContact O-CG 3.15Å; D720-R724 PolarHBondContact O-N 3.03Å; D720-R724 IonicContact OD1-CZ 3.5Å; D720-R724 IonicContact OD1-NE 2.83Å; D720-R724 PolarHBondContact OD1-NE 2.9Å; D720-R724 IonicContact OD1-NH2 3.29Å; D720-R724 PolarHBondContact OD1-NH2 2.66Å; D720-R724 IonicContact OD2-CZ 3.21Å; D720-R724 IonicContact OD2-NE 3Å; D720-R724 PolarHBondContact OD2-NE 2.88Å; D720-R724 IonicContact OD2-NH2 2.69Å; D720-R724 PolarHBondContact OD2-NH2 3.08Å |
| 721 | R | 60.4 | Low | 53.8 | Low | 167 Ų | 167 | 107.2 Ų | 107.2 | 63% | 0.63 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61 | -42.4 | 172.1 | -70.8 | 166.8 | -162.8 | -134 | 10.2 | 111.8 | E717 A718 R724 S725 | E717-R721 WeakPolarHBondContact O-CB 3.08Å; E717-R721 WeakPolarHBondContact O-CD 3.34Å; E717-R721 WeakPolarHBondContact O-CG 3.37Å; E717-R721 PolarHBondContact O-N 2.65Å; E717-R721 IonicContact OE2-CZ 2.66Å; E717-R721 IonicContact OE2-NE 2.76Å; E717-R721 IonicContact OE2-NH2 3.72Å; E717-R721 PolarHBondContact OE2-NH2 3.38Å; A718-R721 PolarHBondContact O-N 2.72Å; R721-R724 PolarHBondContact O-N 2.69Å; R721-S725 PolarHBondContact O-N 3.06Å; R721-S725 PolarHBondContact O-OG 2.89Å |
| 722 | L | 55.4 | Low | 52.4 | Low | 115 Ų | 115 | 107.3 Ų | 107.3 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.2 | -39.2 | 175.4 | -73.9 | 165.5 | 0 | 0 | 0 | 112.4 | A718 V719 D720 R724 S725 | A718-L722 WeakPolarHBondContact O-CB 3.33Å; A718-L722 WeakPolarHBondContact O-CD1 3.32Å; A718-L722 VanDerWaalsContact O-CG 3.26Å; A718-L722 WeakPolarHBondContact O-CG 3.49Å; A718-L722 PolarHBondContact O-N 3.31Å; V719-L722 PolarHBondContact O-N 3.2Å; D720-L722 PolarHBondContact O-N 2.71Å; L722-R724 VanDerWaalsContact C-N 3.3Å; L722-R724 PolarHBondContact O-N 3.26Å; L722-S725 WeakPolarHBondContact CA-OG 3.47Å; L722-S725 PolarHBondContact O-N 3.26Å; L722-S725 VanDerWaalsContact O-N 3.15Å; L722-S725 PolarHBondContact O-OG 3.21Å |
| 723 | G | 54.6 | Low | 51.3 | Low | 57 Ų | 57 | 111.5 Ų | 111.5 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.1 | -28 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V719 D720 | V719-G723 PolarHBondContact O-N 3.07Å; D720-G723 PolarHBondContact O-N 2.96Å |
| 724 | R | 54.8 | Low | 50 | Low | 189 Ų | 189 | 111.7 Ų | 111.7 | 71% | 0.713 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.6 | -22.8 | 172.1 | -68.8 | 169.6 | -165.4 | -127.9 | 11.6 | 112.7 | D720 R721 L722 G726 | D720-R724 VanDerWaalsContact O-CG 3.26Å; D720-R724 WeakPolarHBondContact O-CG 3.15Å; D720-R724 PolarHBondContact O-N 3.03Å; D720-R724 IonicContact OD1-CZ 3.5Å; D720-R724 IonicContact OD1-NE 2.83Å; D720-R724 PolarHBondContact OD1-NE 2.9Å; D720-R724 IonicContact OD1-NH2 3.29Å; D720-R724 PolarHBondContact OD1-NH2 2.66Å; D720-R724 IonicContact OD2-CZ 3.21Å; D720-R724 IonicContact OD2-NE 3Å; D720-R724 PolarHBondContact OD2-NE 2.88Å; D720-R724 IonicContact OD2-NH2 2.69Å; D720-R724 PolarHBondContact OD2-NH2 3.08Å; R721-R724 PolarHBondContact O-N 2.69Å; L722-R724 VanDerWaalsContact C-N 3.3Å; L722-R724 PolarHBondContact O-N 3.26Å; R724-G726 PolarHBondContact O-N 3.43Å; R724-G726 VanDerWaalsContact O-N 3.1Å |
| 725 | S | 51.8 | Low | 48.4 | Very low | 74 Ų | 74 | 108.1 Ų | 108.1 | 52% | 0.517 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -84.1 | 69.5 | 176.6 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | R721 L722 A727 | R721-S725 PolarHBondContact O-N 3.06Å; R721-S725 PolarHBondContact O-OG 2.89Å; L722-S725 WeakPolarHBondContact CA-OG 3.47Å; L722-S725 PolarHBondContact O-N 3.26Å; L722-S725 VanDerWaalsContact O-N 3.15Å; L722-S725 PolarHBondContact O-OG 3.21Å; S725-A727 VanDerWaalsContact C-N 3.28Å; S725-A727 PolarHBondContact O-N 3.11Å |
| 726 | G | 43.1 | Very low | 47.2 | Very low | 74 Ų | 74 | 112.4 Ų | 112.4 | 76% | 0.763 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 72.8 | -24.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | R724 R728 | R724-G726 PolarHBondContact O-N 3.43Å; R724-G726 VanDerWaalsContact O-N 3.1Å; G726-R728 PolarHBondContact O-N 3.44Å |
| 727 | A | 45.8 | Very low | 45.9 | Very low | 92 Ų | 92 | 111.6 Ų | 111.6 | 76% | 0.76 | 66% | 0.66 | S | S | * | * | trans | -80.7 | 45.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S725 N729 | S725-A727 VanDerWaalsContact C-N 3.28Å; S725-A727 PolarHBondContact O-N 3.11Å; A727-N729 PolarHBondContact O-N 3.13Å; A727-N729 VanDerWaalsContact O-N 3.15Å | ||
| 728 | R | 32.7 | Very low | 44.7 | Very low | 225 Ų | 225 | 113.2 Ų | 113.2 | 85% | 0.849 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 94.9 | 174.7 | -75.2 | -179.7 | 171.8 | 158 | -3.2 | 111.2 | G726 | G726-R728 PolarHBondContact O-N 3.44Š|
| 729 | N | 41.1 | Very low | 43.7 | Very low | 167 Ų | 167 | 118.4 Ų | 118.4 | 89% | 0.893 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.2 | 10.1 | 154.9 | -102.1 | -13.7 | 0 | 0 | 0 | 117.4 | A727 | A727-N729 PolarHBondContact O-N 3.13Å; A727-N729 VanDerWaalsContact O-N 3.15Å |
| 730 | S | 46.6 | Very low | 42.5 | Very low | 112 Ų | 112 | 118.6 Ų | 118.6 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -133.1 | -8 | -176.7 | -47.2 | 0 | 0 | 0 | 0 | 116.8 | ||
| 731 | L | 36.5 | Very low | 41.1 | Very low | 143 Ų | 143 | 120.9 Ų | 120.9 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | trans | -124.2 | 81.6 | -171.9 | -73.8 | 160.9 | 0 | 0 | 0 | 110.1 | I788 | L731-I788 HydrophobicContact CD2-CD1 3.95Š| ||
| 732 | S | 35.7 | Very low | 39.7 | Very low | 123 Ų | 123 | 117.7 Ų | 117.7 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | trans | -100.7 | 7.6 | 178 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 733 | C | 38 | Very low | 38.4 | Very low | 98 Ų | 98 | 119 Ų | 119 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -121.7 | 164.5 | 174.7 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 734 | V | 36.3 | Very low | 37.1 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | 65.9 | 60.6 | -177.2 | -161.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 735 | A | 32 | Very low | 35.8 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | -131.5 | 54.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111 | S737 | A735-S737 PolarHBondContact O-N 3.29Š| ||
| 736 | V | 32.6 | Very low | 34.8 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -82 | 113.3 | 177.2 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 737 | S | 33.3 | Very low | 34.2 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 52% | 0.517 | 75% | 0.748 | S | S | . | * | trans | -73.5 | 132.8 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | A735 N739 | A735-S737 PolarHBondContact O-N 3.29Å; S737-N739 PolarHBondContact O-N 3.4Å | ||
| 738 | P | 36.2 | Very low | 33.6 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -9.1 | -178.6 | -27.2 | 36 | 0 | 0 | 0 | 116.6 | ||
| 739 | N | 36.2 | Very low | 33.5 | Very low | 155 Ų | 155 | 120.8 Ų | 120.8 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 23.9 | -168.7 | -66.4 | -9.4 | 0 | 0 | 0 | 114.4 | S737 | S737-N739 PolarHBondContact O-N 3.4Š|
| 740 | A | 30.8 | Very low | 33 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | trans | -139.4 | 31.4 | -162.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 741 | V | 29.9 | Very low | 32.1 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | trans | -139.6 | 99.5 | 169.6 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 742 | V | 30 | Very low | 31.9 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 60% | 0.6 | 74% | 0.744 | S | S | * | * | 53.8 | 94 | 93.5 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 743 | T | 27.9 | Very low | 31.6 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 87% | 0.871 | 74% | 0.742 | S | S | * | * | 58.1 | 41.6 | 69 | 80.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 744 | S | 28.1 | Very low | 31.3 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -157.1 | 116.2 | 160.9 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 745 | D | 27.2 | Very low | 31 | Very low | 126 Ų | 126 | 123 Ų | 123 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | trans | 15.6 | 107.3 | 152.8 | -155.8 | -37.9 | 0 | 0 | 0 | 119.8 | S747 | D745-S747 VanDerWaalsContact C-N 3.35Å; D745-S747 PolarHBondContact O-N 2.94Å; D745-S747 WeakPolarHBondContact OD1-CB 3.46Å; D745-S747 PolarHBondContact OD1-N 3.37Å; D745-S747 PolarHBondContact OD1-OG 2.91Å | ||
| 746 | P | 31 | Very low | 30.9 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 90% | 0.896 | 75% | 0.751 | S | S | * | * | trans | -89.6 | 41.9 | 178.8 | 37.9 | -36.3 | 0 | 0 | 0 | 114.4 | ||||
| 747 | S | 30.5 | Very low | 30.7 | Very low | 80 Ų | 80 | 126.1 Ų | 126.1 | 56% | 0.559 | 74% | 0.744 | S | S | * | * | trans | -91.1 | 2.2 | -177.1 | 50.3 | 0 | 0 | 0 | 0 | 116.3 | D745 | D745-S747 VanDerWaalsContact C-N 3.35Å; D745-S747 PolarHBondContact O-N 2.94Å; D745-S747 WeakPolarHBondContact OD1-CB 3.46Å; D745-S747 PolarHBondContact OD1-N 3.37Å; D745-S747 PolarHBondContact OD1-OG 2.91Å | ||
| 748 | N | 32.9 | Very low | 30.5 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -126 | 18.4 | -164.7 | -86 | -77.9 | 0 | 0 | 0 | 116.6 | ||
| 749 | L | 30.2 | Very low | 30.2 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -118 | 112.5 | 177 | -78.2 | 173.2 | 0 | 0 | 0 | 114.2 | ||
| 750 | L | 30.8 | Very low | 30 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | trans | 76.5 | 57.3 | 150.7 | -56.2 | 173.2 | 0 | 0 | 0 | 118 | S752 | L750-S752 PolarHBondContact O-N 3.2Š| ||
| 751 | N | 28.2 | Very low | 29.9 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -62.9 | 99.3 | 142.2 | -123.5 | -22.3 | 0 | 0 | 0 | 109.7 | ||||
| 752 | S | 32.6 | Very low | 29.9 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -160.1 | 99.1 | 163.8 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | L750 | L750-S752 PolarHBondContact O-N 3.2Š| ||
| 753 | N | 28.5 | Very low | 29.9 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -57.9 | 157.2 | 166.8 | -55.3 | -53.6 | 0 | 0 | 0 | 109.8 | ||||
| 754 | S | 32.6 | Very low | 30.2 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | cis | -174.6 | 154.2 | 48.9 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 755 | N | 29.6 | Very low | 30.2 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | 33.1 | 122.6 | 147.6 | -53.8 | 1.5 | 0 | 0 | 0 | 120.4 | ||||
| 756 | L | 29.4 | Very low | 30.3 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 93% | 0.927 | 76% | 0.761 | S | S | * | * | -160.9 | 155.1 | 125.2 | -108 | 161.4 | 0 | 0 | 0 | 110.9 | |||||
| 757 | D | 28.7 | Very low | 30.5 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | trans | -68.4 | 148.2 | -170.9 | -93.9 | -83.8 | 0 | 0 | 0 | 115 | N759 | D757-N759 PolarHBondContact OD1-ND2 3.22Š| ||
| 758 | L | 30 | Very low | 30.6 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | -128.3 | 31.4 | 160.6 | -87.4 | 171 | 0 | 0 | 0 | 112.3 | L761 | L758-L761 HydrophobicContact CD2-CD1 4.32Š| ||
| 759 | N | 29.9 | Very low | 30.7 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | trans | -77.1 | 129.9 | 153.1 | -66.1 | -69.5 | 0 | 0 | 0 | 108 | D757 | D757-N759 PolarHBondContact OD1-ND2 3.22Š| ||
| 760 | N | 31.1 | Very low | 31.2 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 84.1 | 87.3 | -168.6 | -48.8 | -51.4 | 0 | 0 | 0 | 115.6 | ||||
| 761 | L | 29.6 | Very low | 31.5 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -153.8 | 47.8 | 151.1 | -120.9 | 172.2 | 0 | 0 | 0 | 112.4 | L758 | L758-L761 HydrophobicContact CD2-CD1 4.32Š| ||
| 762 | S | 28.7 | Very low | 32.1 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -114.4 | 73.8 | 169.1 | 59.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 763 | D | 31.4 | Very low | 32.4 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -173.8 | 154.3 | 157.5 | -102.9 | -24.7 | 0 | 0 | 0 | 113.6 | ||||
| 764 | H | 33.3 | Very low | 33.2 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 53.5 | 104.7 | 156 | -70.1 | -60.1 | 0 | 0 | 0 | 123 | ||||
| 765 | S | 28.5 | Very low | 33.9 | Very low | 83 Ų | 83 | 143.8 Ų | 143.8 | 58% | 0.58 | 77% | 0.77 | S | S | * | * | 21.9 | 138 | 117.2 | 56 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 766 | D | 30 | Very low | 34.7 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | 65.6 | 92.3 | 150.6 | -52.7 | -23.8 | 0 | 0 | 0 | 119.4 | ||||
| 767 | I | 33.3 | Very low | 35.3 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | trans | -139 | 139.4 | 160.1 | -59.8 | -176.4 | 0 | 0 | 0 | 110.6 | ||||
| 768 | D | 34.5 | Very low | 36.2 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 161.5 | -168.9 | -78.7 | -65.7 | 0 | 0 | 0 | 117.8 | ||
| 769 | M | 34.7 | Very low | 37.1 | Very low | 165 Ų | 165 | 136 Ų | 136 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 139.2 | 164.4 | -85.9 | -80.3 | -64.8 | 0 | 0 | 111.6 | E771 | M769-E771 PolarHBondContact O-N 3.46Š|
| 770 | P | 40.9 | Very low | 38.3 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 126.7 | 173.8 | 29.2 | -33.7 | 0 | 0 | 0 | 111.7 | I772 | P770-I772 PolarHBondContact O-N 2.92Š|
| 771 | E | 36.3 | Very low | 39.6 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | trans | -66.1 | 115 | 174 | -68 | -169 | 122.9 | 0 | 0 | 111.5 | M769 | M769-E771 PolarHBondContact O-N 3.46Š| ||
| 772 | I | 40 | Very low | 40.9 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 73% | 0.728 | 70% | 0.703 | S | S | * | * | trans | -88.9 | 109.4 | 169.7 | -59.5 | 179.2 | 0 | 0 | 0 | 108 | P770 Q774 | P770-I772 PolarHBondContact O-N 2.92Å; I772-Q774 PolarHBondContact O-N 2.98Å | ||
| 773 | N | 39.9 | Very low | 42.1 | Very low | 126 Ų | 126 | 125 Ų | 125 | 67% | 0.674 | 68% | 0.682 | S | S | * | * | trans | -49.9 | 129.5 | -176.9 | -88.1 | -71.3 | 0 | 0 | 0 | 113.2 | S775 | N773-S775 PolarHBondContact O-N 2.8Š| ||
| 774 | Q | 45.2 | Very low | 43.5 | Very low | 195 Ų | 195 | 122.1 Ų | 122.1 | 91% | 0.911 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 29.2 | -173.7 | -61.8 | -178.3 | -10.3 | 0 | 0 | 114.4 | I772 | I772-Q774 PolarHBondContact O-N 2.98Š|
| 775 | S | 48.1 | Very low | 44.8 | Very low | 98 Ų | 98 | 120.8 Ų | 120.8 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 15.3 | -169.4 | 55 | 0 | 0 | 0 | 0 | 114.8 | N773 | N773-S775 PolarHBondContact O-N 2.8Š|
| 776 | S | 44.4 | Very low | 46.4 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 52% | 0.524 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -131.4 | 5.2 | -179.9 | 64 | 0 | 0 | 0 | 0 | 115.5 | ||
| 777 | L | 42.9 | Very low | 48 | Very low | 118 Ų | 118 | 119 Ų | 119 | 62% | 0.618 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -7.2 | -175.5 | -94.3 | 80.4 | 0 | 0 | 0 | 115.4 | N779 | L777-N779 PolarHBondContact O-N 2.84Š|
| 778 | D | 47.4 | Very low | 49.5 | Very low | 163 Ų | 163 | 113.5 Ų | 113.5 | 87% | 0.872 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 2.4 | -175.2 | -67.6 | -36.1 | 0 | 0 | 0 | 115 | ||
| 779 | N | 49.4 | Very low | 51.2 | Low | 78 Ų | 78 | 110 Ų | 110 | 42% | 0.417 | 60% | 0.599 | S | S | . | * | trans | -103.7 | 110.7 | 173.7 | -174.1 | -8.4 | 0 | 0 | 0 | 110.9 | L777 N781 T782 A783 | L777-N779 PolarHBondContact O-N 2.84Å; N779-N781 PolarHBondContact O-N 3.4Å; N779-N781 VanDerWaalsContact O-N 3.17Å; N779-N781 WeakPolarHBondContact OD1-CB 3.47Å; N779-N781 PolarHBondContact OD1-N 3.05Å; N779-N781 VanDerWaalsContact OD1-N 3.1Å; N779-T782 PolarHBondContact O-N 3.47Å; N779-T782 VanDerWaalsContact O-N 3.07Å; N779-A783 PolarHBondContact O-N 3.43Å | ||
| 780 | P | 55.5 | Low | 52.7 | Low | 89 Ų | 89 | 111.6 Ų | 111.6 | 58% | 0.578 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.7 | -23.2 | -177.7 | 25.8 | -34.5 | 0 | 0 | 0 | 113.4 | T784 | P780-T784 WeakPolarHBondContact O-CB 3.39Å; P780-T784 PolarHBondContact O-N 2.99Å; P780-T784 PolarHBondContact O-OG1 3.11Å |
| 781 | N | 57.7 | Low | 53.7 | Low | 120 Ų | 120 | 110.3 Ų | 110.3 | 64% | 0.642 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.2 | -42.4 | 174.5 | -67.8 | -0.8 | 0 | 0 | 0 | 111 | N779 T784 E785 | N779-N781 PolarHBondContact O-N 3.4Å; N779-N781 VanDerWaalsContact O-N 3.17Å; N779-N781 WeakPolarHBondContact OD1-CB 3.47Å; N779-N781 PolarHBondContact OD1-N 3.05Å; N779-N781 VanDerWaalsContact OD1-N 3.1Å; N781-T784 PolarHBondContact O-N 3.05Å; N781-E785 PolarHBondContact O-N 3.32Å |
| 782 | T | 57.7 | Low | 55.2 | Low | 58 Ų | 58 | 104.6 Ų | 104.6 | 36% | 0.356 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.9 | -41.8 | 178.2 | -46.7 | 0 | 0 | 0 | 0 | 111.4 | N779 T784 E785 L786 | N779-T782 PolarHBondContact O-N 3.47Å; N779-T782 VanDerWaalsContact O-N 3.07Å; T782-T784 VanDerWaalsContact C-N 3.3Å; T782-T784 PolarHBondContact O-N 3.21Å; T782-E785 PolarHBondContact O-N 3.32Å; T782-L786 HydrophobicContact CG2-CD1 4.21Å; T782-L786 WeakPolarHBondContact O-CB 3.46Å; T782-L786 VanDerWaalsContact O-CG 3.27Å; T782-L786 WeakPolarHBondContact O-CG 3.1Å; T782-L786 PolarHBondContact O-N 3.39Å |
| 783 | A | 52.9 | Low | 56.4 | Low | 39 Ų | 39 | 101.6 Ų | 101.6 | 32% | 0.322 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N779 L786 I787 | N779-A783 PolarHBondContact O-N 3.43Å; A783-L786 PolarHBondContact O-N 3.42Å; A783-I787 WeakPolarHBondContact O-CD1 3.34Å; A783-I787 VanDerWaalsContact O-CG1 3.29Å; A783-I787 WeakPolarHBondContact O-CG1 3.21Å; A783-I787 PolarHBondContact O-N 2.82Å |
| 784 | T | 60.4 | Low | 57.6 | Low | 75 Ų | 75 | 98.9 Ų | 98.9 | 46% | 0.46 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 178 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | P780 N781 T782 I787 I788 | P780-T784 WeakPolarHBondContact O-CB 3.39Å; P780-T784 PolarHBondContact O-N 2.99Å; P780-T784 PolarHBondContact O-OG1 3.11Å; N781-T784 PolarHBondContact O-N 3.05Å; T782-T784 VanDerWaalsContact C-N 3.3Å; T782-T784 PolarHBondContact O-N 3.21Å; T784-I787 PolarHBondContact O-N 3.09Å; T784-I788 HydrophobicContact CG2-CD1 3.96Å; T784-I788 WeakPolarHBondContact O-CG1 3.41Å; T784-I788 PolarHBondContact O-N 3.08Å |
| 785 | E | 62.3 | Low | 58.4 | Low | 128 Ų | 128 | 91.9 Ų | 91.9 | 60% | 0.598 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 173 | -86.1 | -157.6 | 156.8 | 0 | 0 | 112.4 | N781 T782 I787 I788 N789 | N781-E785 PolarHBondContact O-N 3.32Å; T782-E785 PolarHBondContact O-N 3.32Å; E785-I787 VanDerWaalsContact C-N 3.28Å; E785-I787 PolarHBondContact O-N 3.19Å; E785-I788 PolarHBondContact O-N 3.14Å; E785-N789 VanDerWaalsContact O-CB 3.28Å; E785-N789 WeakPolarHBondContact O-CB 3.31Å; E785-N789 PolarHBondContact O-N 3.09Å; E785-N789 PolarHBondContact O-ND2 3.01Å |
| 786 | L | 61.4 | Low | 59.5 | Low | 105 Ų | 105 | 91.7 Ų | 91.7 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 176.8 | -76.4 | 168.7 | 0 | 0 | 0 | 111.5 | T782 A783 R790 | T782-L786 HydrophobicContact CG2-CD1 4.21Å; T782-L786 WeakPolarHBondContact O-CB 3.46Å; T782-L786 VanDerWaalsContact O-CG 3.27Å; T782-L786 WeakPolarHBondContact O-CG 3.1Å; T782-L786 PolarHBondContact O-N 3.39Å; A783-L786 PolarHBondContact O-N 3.42Å; L786-R790 VanDerWaalsContact O-CB 3.25Å; L786-R790 WeakPolarHBondContact O-CB 3.2Å; L786-R790 PolarHBondContact O-N 3.23Å |
| 787 | I | 64.2 | Low | 60.4 | Low | 100 Ų | 100 | 95 Ų | 95 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -48.8 | 173.7 | -70.8 | 165.6 | 0 | 0 | 0 | 111 | A783 T784 E785 N789 R790 M791 | A783-I787 WeakPolarHBondContact O-CD1 3.34Å; A783-I787 VanDerWaalsContact O-CG1 3.29Å; A783-I787 WeakPolarHBondContact O-CG1 3.21Å; A783-I787 PolarHBondContact O-N 2.82Å; T784-I787 PolarHBondContact O-N 3.09Å; E785-I787 VanDerWaalsContact C-N 3.28Å; E785-I787 PolarHBondContact O-N 3.19Å; I787-N789 PolarHBondContact O-N 2.89Å; I787-R790 PolarHBondContact O-N 2.76Å; I787-M791 HydrophobicContact CG2-CG 4.4Å; I787-M791 HydrophobicContact CG2-SD 3.57Å; I787-M791 VanDerWaalsContact CG2-SD 3.57Å; I787-M791 WeakPolarHBondContact O-CB 3.43Å; I787-M791 VanDerWaalsContact O-CG 3.24Å; I787-M791 WeakPolarHBondContact O-CG 3.4Å; I787-M791 PolarHBondContact O-N 3.34Å |
| 788 | I | 63.4 | Low | 61.4 | Low | 58 Ų | 58 | 90 Ų | 90 | 30% | 0.297 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 179 | -69 | 165.7 | 0 | 0 | 0 | 110.9 | L731 T784 E785 R790 M791 E792 | L731-I788 HydrophobicContact CD2-CD1 3.95Å; T784-I788 HydrophobicContact CG2-CD1 3.96Å; T784-I788 WeakPolarHBondContact O-CG1 3.41Å; T784-I788 PolarHBondContact O-N 3.08Å; E785-I788 PolarHBondContact O-N 3.14Å; I788-R790 VanDerWaalsContact C-N 3.31Å; I788-R790 PolarHBondContact O-N 2.68Å; I788-M791 PolarHBondContact O-N 3.42Å; I788-M791 VanDerWaalsContact O-N 3.09Å; I788-E792 PolarHBondContact O-N 3.45Å |
| 789 | N | 70 | Confident | 62.4 | Low | 85 Ų | 85 | 89.8 Ų | 89.8 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 177.6 | -75.7 | -52.5 | 0 | 0 | 0 | 111.9 | E785 I787 E793 | E785-N789 VanDerWaalsContact O-CB 3.28Å; E785-N789 WeakPolarHBondContact O-CB 3.31Å; E785-N789 PolarHBondContact O-N 3.09Å; E785-N789 PolarHBondContact O-ND2 3.01Å; I787-N789 PolarHBondContact O-N 2.89Å; N789-E793 WeakPolarHBondContact O-CB 3.47Å; N789-E793 PolarHBondContact O-N 3.18Å |
| 790 | R | 66.8 | Low | 63.3 | Low | 197 Ų | 197 | 95.2 Ų | 95.2 | 74% | 0.743 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.6 | -38.6 | 174.3 | -159.8 | 75.8 | 171.7 | -160.6 | -0.1 | 111.7 | L786 I787 I788 E793 V794 | L786-R790 VanDerWaalsContact O-CB 3.25Å; L786-R790 WeakPolarHBondContact O-CB 3.2Å; L786-R790 PolarHBondContact O-N 3.23Å; I787-R790 PolarHBondContact O-N 2.76Å; I788-R790 VanDerWaalsContact C-N 3.31Å; I788-R790 PolarHBondContact O-N 2.68Å; R790-E793 PolarHBondContact O-N 3.27Å; R790-V794 WeakPolarHBondContact O-CG2 3.44Å; R790-V794 PolarHBondContact O-N 3.34Å |
| 791 | M | 63.1 | Low | 63.7 | Low | 79 Ų | 79 | 91.8 Ų | 91.8 | 39% | 0.389 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -71.7 | -40.1 | 178.7 | -70.1 | 170.9 | 71.9 | 0 | 0 | 112 | V719 I787 I788 E793 V794 A795 | V719-M791 HydrophobicContact CB-CE 4.26Å; V719-M791 HydrophobicContact CG1-CE 3.93Å; V719-M791 HydrophobicContact CG2-CE 3.37Å; I787-M791 HydrophobicContact CG2-CG 4.4Å; I787-M791 HydrophobicContact CG2-SD 3.57Å; I787-M791 VanDerWaalsContact CG2-SD 3.57Å; I787-M791 WeakPolarHBondContact O-CB 3.43Å; I787-M791 VanDerWaalsContact O-CG 3.24Å; I787-M791 WeakPolarHBondContact O-CG 3.4Å; I787-M791 PolarHBondContact O-N 3.34Å; I788-M791 PolarHBondContact O-N 3.42Å; I788-M791 VanDerWaalsContact O-N 3.09Å; M791-E793 VanDerWaalsContact C-N 3.34Å; M791-E793 PolarHBondContact O-N 3.08Å; M791-V794 PolarHBondContact O-N 3.5Å; M791-A795 PolarHBondContact O-N 3.18Å |
| 792 | E | 66.1 | Low | 64.2 | Low | 68 Ų | 68 | 90.3 Ų | 90.3 | 32% | 0.318 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 169.4 | -80.1 | -157.9 | -172.9 | 0 | 0 | 111.7 | I788 V794 A795 K796 | I788-E792 PolarHBondContact O-N 3.45Å; E792-V794 VanDerWaalsContact C-N 3.31Å; E792-V794 PolarHBondContact O-N 3.21Å; E792-A795 CarbonylContact O-C 3.6Å; E792-A795 PolarHBondContact O-N 2.67Å; E792-A795 VanDerWaalsContact O-N 3.15Å; E792-K796 WeakPolarHBondContact O-CB 3.39Å; E792-K796 WeakPolarHBondContact O-CD 3.33Å; E792-K796 VanDerWaalsContact O-CG 3.27Å; E792-K796 WeakPolarHBondContact O-CG 3.11Å; E792-K796 PolarHBondContact O-N 3.3Å; E792-K796 WeakPolarHBondContact OE2-CE 3.45Å; E792-K796 IonicContact OE2-NZ 2.92Å; E792-K796 PolarHBondContact OE2-NZ 3.42Å |
| 793 | E | 66.9 | Low | 64.8 | Low | 79 Ų | 79 | 90.8 Ų | 90.8 | 37% | 0.369 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.3 | -25.5 | 179.1 | -92 | -63.6 | 112.1 | 0 | 0 | 113.5 | N789 R790 M791 K796 R797 | N789-E793 WeakPolarHBondContact O-CB 3.47Å; N789-E793 PolarHBondContact O-N 3.18Å; R790-E793 PolarHBondContact O-N 3.27Å; M791-E793 VanDerWaalsContact C-N 3.34Å; M791-E793 PolarHBondContact O-N 3.08Å; E793-K796 VanDerWaalsContact OE1-CD 3.26Å; E793-K796 WeakPolarHBondContact OE1-CD 3.18Å; E793-R797 WeakPolarHBondContact O-CB 3.08Å; E793-R797 WeakPolarHBondContact O-CG 3.09Å; E793-R797 PolarHBondContact O-N 2.77Å; E793-R797 PolarHBondContact O-NH1 3.21Å; E793-R797 IonicContact OE2-CZ 3.88Å; E793-R797 IonicContact OE2-NH1 3.27Å; E793-R797 PolarHBondContact OE2-NH1 3.14Å; E793-R797 IonicContact OE2-NH2 3.35Å; E793-R797 PolarHBondContact OE2-NH2 2.81Å |
| 794 | V | 64.8 | Low | 65.4 | Low | 69 Ų | 69 | 91.1 Ų | 91.1 | 42% | 0.418 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.3 | -42.4 | 166.4 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | A715 R790 M791 E792 R797 A798 | A715-V794 HydrophobicContact CB-CG1 4.5Å; R790-V794 WeakPolarHBondContact O-CG2 3.44Å; R790-V794 PolarHBondContact O-N 3.34Å; M791-V794 PolarHBondContact O-N 3.5Å; E792-V794 VanDerWaalsContact C-N 3.31Å; E792-V794 PolarHBondContact O-N 3.21Å; V794-R797 PolarHBondContact O-N 2.87Å; V794-A798 WeakPolarHBondContact O-CB 3.45Å; V794-A798 PolarHBondContact O-N 3.05Å |
| 795 | A | 61.9 | Low | 65.8 | Low | 49 Ų | 49 | 89.1 Ų | 89.1 | 41% | 0.405 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | M791 E792 A798 Y799 | M791-A795 PolarHBondContact O-N 3.18Å; E792-A795 CarbonylContact O-C 3.6Å; E792-A795 PolarHBondContact O-N 2.67Å; E792-A795 VanDerWaalsContact O-N 3.15Å; A795-A798 WeakPolarHBondContact O-CB 3.38Å; A795-A798 PolarHBondContact O-N 2.84Å; A795-Y799 PolarHBondContact O-N 2.9Å |
| 796 | K | 69.9 | Low | 66.2 | Low | 93 Ų | 93 | 88 Ų | 88 | 40% | 0.404 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 175.1 | -70.5 | 160.8 | -169.6 | 166.3 | 0 | 111.6 | E792 E793 R800 | E792-K796 WeakPolarHBondContact O-CB 3.39Å; E792-K796 WeakPolarHBondContact O-CD 3.33Å; E792-K796 VanDerWaalsContact O-CG 3.27Å; E792-K796 WeakPolarHBondContact O-CG 3.11Å; E792-K796 PolarHBondContact O-N 3.3Å; E792-K796 WeakPolarHBondContact OE2-CE 3.45Å; E792-K796 IonicContact OE2-NZ 2.92Å; E792-K796 PolarHBondContact OE2-NZ 3.42Å; E793-K796 VanDerWaalsContact OE1-CD 3.26Å; E793-K796 WeakPolarHBondContact OE1-CD 3.18Å; K796-R800 WeakPolarHBondContact O-CG 3.48Å; K796-R800 PolarHBondContact O-N 3.49Å |
| 797 | R | 64.8 | Low | 66.6 | Low | 145 Ų | 145 | 88.2 Ų | 88.2 | 55% | 0.547 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 170.8 | -78.6 | 179 | -173.3 | 68.4 | 7.4 | 112.1 | E793 V794 R800 A801 | E793-R797 WeakPolarHBondContact O-CB 3.08Å; E793-R797 WeakPolarHBondContact O-CG 3.09Å; E793-R797 PolarHBondContact O-N 2.77Å; E793-R797 PolarHBondContact O-NH1 3.21Å; E793-R797 IonicContact OE2-CZ 3.88Å; E793-R797 IonicContact OE2-NH1 3.27Å; E793-R797 PolarHBondContact OE2-NH1 3.14Å; E793-R797 IonicContact OE2-NH2 3.35Å; E793-R797 PolarHBondContact OE2-NH2 2.81Å; V794-R797 PolarHBondContact O-N 2.87Å; R797-R800 PolarHBondContact O-N 2.81Å; R797-A801 WeakPolarHBondContact O-CB 3.36Å; R797-A801 PolarHBondContact O-N 2.91Å |
| 798 | A | 62.5 | Low | 66.7 | Low | 13 Ų | 13 | 84.5 Ų | 84.5 | 11% | 0.107 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.7 | -51.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A712 V794 A795 R800 A801 E802 | A712-A798 HydrophobicContact CB-CB 3.28Å; V794-A798 WeakPolarHBondContact O-CB 3.45Å; V794-A798 PolarHBondContact O-N 3.05Å; A795-A798 WeakPolarHBondContact O-CB 3.38Å; A795-A798 PolarHBondContact O-N 2.84Å; A798-R800 VanDerWaalsContact C-N 3.35Å; A798-R800 PolarHBondContact O-N 3.28Å; A798-A801 PolarHBondContact O-N 2.82Å; A798-A801 VanDerWaalsContact O-N 3.15Å; A798-E802 PolarHBondContact O-N 3.32Å |
| 799 | Y | 68.4 | Low | 67.1 | Low | 159 Ų | 159 | 84.8 Ų | 84.8 | 62% | 0.624 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.4 | -40.7 | -178.9 | -175.3 | -108.3 | 0 | 0 | 0 | 112.3 | A795 E802 I803 | A795-Y799 PolarHBondContact O-N 2.9Å; Y799-E802 PolarHBondContact O-N 3.17Å; Y799-I803 HydrophobicContact CD1-CD1 4.02Å; Y799-I803 HydrophobicContact CE1-CD1 3.49Å; Y799-I803 VanDerWaalsContact CE1-CD1 3.49Å; Y799-I803 HydrophobicContact CE1-CG1 4.46Å; Y799-I803 HydrophobicContact CE2-CD1 4.49Å; Y799-I803 PolarHBondContact O-N 3.48Å |
| 800 | R | 69.2 | Low | 67.2 | Low | 192 Ų | 192 | 85 Ų | 85 | 73% | 0.725 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | 173 | -71 | 177.4 | -176.5 | -175.1 | 2.1 | 112.5 | K796 R797 A798 E802 A804 | K796-R800 WeakPolarHBondContact O-CG 3.48Å; K796-R800 PolarHBondContact O-N 3.49Å; R797-R800 PolarHBondContact O-N 2.81Å; A798-R800 VanDerWaalsContact C-N 3.35Å; A798-R800 PolarHBondContact O-N 3.28Å; R800-E802 VanDerWaalsContact C-N 3.33Å; R800-A804 WeakPolarHBondContact O-CB 3.45Å; R800-A804 PolarHBondContact O-N 2.81Å |
| 801 | A | 64 | Low | 67.3 | Low | 17 Ų | 17 | 81.5 Ų | 81.5 | 14% | 0.14 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T708 R797 A798 T805 | T708-A801 HydrophobicContact CG2-CB 4.11Å; R797-A801 WeakPolarHBondContact O-CB 3.36Å; R797-A801 PolarHBondContact O-N 2.91Å; A798-A801 PolarHBondContact O-N 2.82Å; A798-A801 VanDerWaalsContact O-N 3.15Å; A801-T805 WeakPolarHBondContact O-CB 3.27Å; A801-T805 PolarHBondContact O-N 3.41Å; A801-T805 PolarHBondContact O-OG1 3.01Å |
| 802 | E | 67.2 | Low | 67.7 | Low | 88 Ų | 88 | 80.5 Ų | 80.5 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.2 | -41.9 | 178.2 | -164.4 | 154.3 | -127.8 | 0 | 0 | 111.9 | R713 A798 Y799 R800 T805 Q806 | R713-E802 IonicContact CZ-OE1 2.66Å; R713-E802 IonicContact NH1-OE1 3.74Å; R713-E802 PolarHBondContact NH1-OE1 2.95Å; A798-E802 PolarHBondContact O-N 3.32Å; Y799-E802 PolarHBondContact O-N 3.17Å; R800-E802 VanDerWaalsContact C-N 3.33Å; E802-T805 WeakPolarHBondContact O-CB 3.47Å; E802-T805 PolarHBondContact O-N 2.9Å; E802-Q806 PolarHBondContact O-N 3.1Å |
| 803 | I | 71.4 | Confident | 68 | Low | 68 Ų | 68 | 83.3 Ų | 83.3 | 35% | 0.349 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.5 | -52.1 | 170.2 | -69.7 | 173.7 | 0 | 0 | 0 | 110.9 | Y799 T805 Q806 E807 | Y799-I803 HydrophobicContact CD1-CD1 4.02Å; Y799-I803 HydrophobicContact CE1-CD1 3.49Å; Y799-I803 VanDerWaalsContact CE1-CD1 3.49Å; Y799-I803 HydrophobicContact CE1-CG1 4.46Å; Y799-I803 HydrophobicContact CE2-CD1 4.49Å; Y799-I803 PolarHBondContact O-N 3.48Å; I803-T805 PolarHBondContact O-N 3.17Å; I803-T805 VanDerWaalsContact O-N 3.16Å; I803-Q806 PolarHBondContact O-N 2.85Å; I803-E807 HydrophobicContact CG2-CG 4.24Å; I803-E807 WeakPolarHBondContact O-CG 3.23Å; I803-E807 PolarHBondContact O-N 3.37Å |
| 804 | A | 65.5 | Low | 68.1 | Low | 47 Ų | 47 | 82.6 Ų | 82.6 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.1 | -25.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | R800 A808 | R800-A804 WeakPolarHBondContact O-CB 3.45Å; R800-A804 PolarHBondContact O-N 2.81Å; A804-A808 WeakPolarHBondContact O-CB 3.38Å; A804-A808 PolarHBondContact O-N 3.32Å |
| 805 | T | 67.8 | Low | 68.2 | Low | 33 Ų | 33 | 81.7 Ų | 81.7 | 20% | 0.202 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -73.2 | -40 | 171.9 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | A801 E802 I803 V809 | A801-T805 WeakPolarHBondContact O-CB 3.27Å; A801-T805 PolarHBondContact O-N 3.41Å; A801-T805 PolarHBondContact O-OG1 3.01Å; E802-T805 WeakPolarHBondContact O-CB 3.47Å; E802-T805 PolarHBondContact O-N 2.9Å; I803-T805 PolarHBondContact O-N 3.17Å; I803-T805 VanDerWaalsContact O-N 3.16Å; T805-V809 VanDerWaalsContact O-CG2 3.32Å; T805-V809 WeakPolarHBondContact O-CG2 3.4Å; T805-V809 PolarHBondContact O-N 2.88Å |
| 806 | Q | 70.9 | Confident | 68.7 | Low | 103 Ų | 103 | 84.6 Ų | 84.6 | 48% | 0.481 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 176.7 | -171.5 | 63 | 52 | 0 | 0 | 111.6 | E802 I803 A808 V809 D810 | E802-Q806 PolarHBondContact O-N 3.1Å; I803-Q806 PolarHBondContact O-N 2.85Å; Q806-A808 VanDerWaalsContact C-N 3.28Å; Q806-A808 PolarHBondContact O-N 3.14Å; Q806-V809 WeakPolarHBondContact O-CB 3.41Å; Q806-V809 PolarHBondContact O-N 2.82Å; Q806-D810 PolarHBondContact NE2-OD1 3.5Å; Q806-D810 PolarHBondContact O-N 2.66Å |
| 807 | E | 70.8 | Confident | 69 | Low | 110 Ų | 110 | 85.7 Ų | 85.7 | 51% | 0.514 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.4 | -41.4 | 176.2 | -68.9 | 172.9 | 156 | 0 | 0 | 111.4 | I803 D810 Q811 | I803-E807 HydrophobicContact CG2-CG 4.24Å; I803-E807 WeakPolarHBondContact O-CG 3.23Å; I803-E807 PolarHBondContact O-N 3.37Å; E807-D810 PolarHBondContact O-N 2.96Å; E807-Q811 WeakPolarHBondContact O-CB 3.37Å; E807-Q811 VanDerWaalsContact O-CG 3.24Å; E807-Q811 WeakPolarHBondContact O-CG 3.43Å; E807-Q811 PolarHBondContact O-N 3.18Å |
| 808 | A | 65.2 | Low | 69.4 | Low | 23 Ų | 23 | 81.6 Ų | 81.6 | 19% | 0.19 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69 | -29.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I702 A804 Q806 L812 | I702-A808 HydrophobicContact CD1-CB 4.49Å; I702-A808 HydrophobicContact CG1-CB 4.26Å; A804-A808 WeakPolarHBondContact O-CB 3.38Å; A804-A808 PolarHBondContact O-N 3.32Å; Q806-A808 VanDerWaalsContact C-N 3.28Å; Q806-A808 PolarHBondContact O-N 3.14Å; A808-L812 WeakPolarHBondContact O-CB 3.07Å; A808-L812 PolarHBondContact O-N 3.44Å; A808-L812 VanDerWaalsContact O-N 3.09Å |
| 809 | V | 72.7 | Confident | 69.8 | Low | 64 Ų | 64 | 83 Ų | 83 | 39% | 0.388 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -71.4 | -43.3 | 174.1 | 164.5 | 0 | 0 | 0 | 0 | 111.1 | T805 Q806 L812 E813 | T805-V809 VanDerWaalsContact O-CG2 3.32Å; T805-V809 WeakPolarHBondContact O-CG2 3.4Å; T805-V809 PolarHBondContact O-N 2.88Å; Q806-V809 WeakPolarHBondContact O-CB 3.41Å; Q806-V809 PolarHBondContact O-N 2.82Å; V809-L812 PolarHBondContact O-N 3.36Å; V809-E813 PolarHBondContact O-N 2.76Å |
| 810 | D | 71.9 | Confident | 70.1 | Confident | 88 Ų | 88 | 83 Ų | 83 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | -179.9 | -64.7 | -6.5 | 0 | 0 | 0 | 110.9 | Q806 E807 E813 A814 | Q806-D810 PolarHBondContact NE2-OD1 3.5Å; Q806-D810 PolarHBondContact O-N 2.66Å; E807-D810 PolarHBondContact O-N 2.96Å; D810-E813 PolarHBondContact O-N 3.09Å; D810-A814 PolarHBondContact O-N 3.41Å |
| 811 | Q | 68.8 | Low | 70.4 | Confident | 124 Ų | 124 | 77.7 Ų | 77.7 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.4 | -49.8 | 169.8 | -75 | 170.9 | 1.9 | 0 | 0 | 111.4 | E807 E813 A814 E815 | E807-Q811 WeakPolarHBondContact O-CB 3.37Å; E807-Q811 VanDerWaalsContact O-CG 3.24Å; E807-Q811 WeakPolarHBondContact O-CG 3.43Å; E807-Q811 PolarHBondContact O-N 3.18Å; Q811-E813 PolarHBondContact O-N 3.33Å; Q811-A814 WeakPolarHBondContact O-CB 3.1Å; Q811-A814 PolarHBondContact O-N 3.29Å; Q811-A814 VanDerWaalsContact O-N 3.11Å; Q811-E815 WeakPolarHBondContact O-CG 3.5Å; Q811-E815 PolarHBondContact O-N 3.41Å |
| 812 | L | 71.1 | Confident | 71 | Confident | 58 Ų | 58 | 79.3 Ų | 79.3 | 30% | 0.304 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.1 | -21.5 | 178.4 | -174.2 | 68.4 | 0 | 0 | 0 | 113.2 | A808 V809 K816 | A808-L812 WeakPolarHBondContact O-CB 3.07Å; A808-L812 PolarHBondContact O-N 3.44Å; A808-L812 VanDerWaalsContact O-N 3.09Å; V809-L812 PolarHBondContact O-N 3.36Å; L812-K816 VanDerWaalsContact O-CD 3.27Å; L812-K816 WeakPolarHBondContact O-CD 3.48Å; L812-K816 VanDerWaalsContact O-CE 3.27Å; L812-K816 WeakPolarHBondContact O-CE 2.94Å; L812-K816 WeakPolarHBondContact O-CG 3.46Å; L812-K816 PolarHBondContact O-N 2.8Å; L812-K816 PolarHBondContact O-NZ 3.01Å |
| 813 | E | 71.7 | Confident | 71.4 | Confident | 128 Ų | 128 | 81.1 Ų | 81.1 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -82.1 | -39.1 | 171.7 | -171.2 | 131.4 | -114.5 | 0 | 0 | 112.1 | V809 D810 Q811 K816 H817 | V809-E813 PolarHBondContact O-N 2.76Å; D810-E813 PolarHBondContact O-N 3.09Å; Q811-E813 PolarHBondContact O-N 3.33Å; E813-K816 PolarHBondContact O-N 3.06Å; E813-H817 PolarHBondContact O-N 2.91Å; E813-H817 VanDerWaalsContact O-N 3.1Å |
| 814 | A | 69.5 | Low | 71.8 | Confident | 64 Ų | 64 | 83 Ų | 83 | 53% | 0.529 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D810 Q811 K816 H817 F818 | D810-A814 PolarHBondContact O-N 3.41Å; Q811-A814 WeakPolarHBondContact O-CB 3.1Å; Q811-A814 PolarHBondContact O-N 3.29Å; Q811-A814 VanDerWaalsContact O-N 3.11Å; A814-K816 PolarHBondContact O-N 3.36Å; A814-H817 WeakPolarHBondContact O-CB 3.39Å; A814-H817 PolarHBondContact O-N 2.98Å; A814-H817 VanDerWaalsContact O-N 3.17Å; A814-F818 PolarHBondContact O-N 3.49Å |
| 815 | E | 66.1 | Low | 72.3 | Confident | 49 Ų | 49 | 82.3 Ų | 82.3 | 23% | 0.229 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 174.5 | -74.4 | 175.2 | -169.6 | 0 | 0 | 112.3 | R693 Q811 H817 F818 S819 | R693-E815 WeakPolarHBondContact CG-OE2 3.36Å; Q811-E815 WeakPolarHBondContact O-CG 3.5Å; Q811-E815 PolarHBondContact O-N 3.41Å; E815-H817 VanDerWaalsContact C-N 3.31Å; E815-H817 PolarHBondContact O-N 3.08Å; E815-F818 PolarHBondContact O-N 3.39Å; E815-S819 WeakPolarHBondContact O-CB 3.46Å; E815-S819 PolarHBondContact O-N 3.13Å |
| 816 | K | 73.6 | Confident | 72.7 | Confident | 111 Ų | 111 | 81.7 Ų | 81.7 | 48% | 0.483 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 175.2 | -73.9 | 164.4 | -160.3 | 136.5 | 0 | 111.7 | L812 E813 A814 R820 | L812-K816 VanDerWaalsContact O-CD 3.27Å; L812-K816 WeakPolarHBondContact O-CD 3.48Å; L812-K816 VanDerWaalsContact O-CE 3.27Å; L812-K816 WeakPolarHBondContact O-CE 2.94Å; L812-K816 WeakPolarHBondContact O-CG 3.46Å; L812-K816 PolarHBondContact O-N 2.8Å; L812-K816 PolarHBondContact O-NZ 3.01Å; E813-K816 PolarHBondContact O-N 3.06Å; A814-K816 PolarHBondContact O-N 3.36Å; K816-R820 PolarHBondContact O-N 2.91Å; K816-R820 VanDerWaalsContact O-N 3.13Å |
| 817 | H | 75.1 | Confident | 73 | Confident | 116 Ų | 116 | 79.1 Ų | 79.1 | 54% | 0.537 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 176.9 | -174.6 | -99.3 | 0 | 0 | 0 | 111.4 | E813 A814 E815 S819 R820 L821 | E813-H817 PolarHBondContact O-N 2.91Å; E813-H817 VanDerWaalsContact O-N 3.1Å; A814-H817 WeakPolarHBondContact O-CB 3.39Å; A814-H817 PolarHBondContact O-N 2.98Å; A814-H817 VanDerWaalsContact O-N 3.17Å; E815-H817 VanDerWaalsContact C-N 3.31Å; E815-H817 PolarHBondContact O-N 3.08Å; H817-S819 PolarHBondContact O-N 2.84Å; H817-R820 PolarHBondContact O-N 3.15Å; H817-L821 PolarHBondContact O-N 3.43Å; H817-L821 VanDerWaalsContact O-N 3.12Å |
| 818 | F | 73.2 | Confident | 73.4 | Confident | 58 Ų | 58 | 79.2 Ų | 79.2 | 25% | 0.254 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 173.9 | -176 | -91.4 | 0 | 0 | 0 | 112 | L685 E689 A814 E815 R820 L821 Y822 | L685-F818 HydrophobicContact CD2-CE2 4.29Å; L685-F818 HydrophobicContact CD2-CZ 3.76Å; L685-F818 HydrophobicContact CG-CZ 3.91Å; E689-F818 HydrophobicContact CB-CE1 4.34Å; E689-F818 HydrophobicContact CG-CD1 4.09Å; E689-F818 HydrophobicContact CG-CE1 3.71Å; E689-F818 HydrophobicContact CG-CZ 4.28Å; A814-F818 PolarHBondContact O-N 3.49Å; E815-F818 PolarHBondContact O-N 3.39Å; F818-R820 PolarHBondContact O-N 2.96Å; F818-L821 PolarHBondContact O-N 2.69Å; F818-Y822 WeakPolarHBondContact O-CB 3.26Å; F818-Y822 PolarHBondContact O-N 3.3Å |
| 819 | S | 71.1 | Confident | 73.9 | Confident | 44 Ų | 44 | 79.7 Ų | 79.7 | 31% | 0.308 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.6 | -21.9 | 178.5 | -163.3 | 0 | 0 | 0 | 0 | 113.7 | E815 H817 K823 | E815-S819 WeakPolarHBondContact O-CB 3.46Å; E815-S819 PolarHBondContact O-N 3.13Å; H817-S819 PolarHBondContact O-N 2.84Å; S819-K823 WeakPolarHBondContact O-CD 3.16Å; S819-K823 VanDerWaalsContact O-CG 3.23Å; S819-K823 WeakPolarHBondContact O-CG 3.18Å; S819-K823 PolarHBondContact O-NZ 3.09Å; S819-K823 VanDerWaalsContact O-NZ 3.15Å; S819-K823 PolarHBondContact OG-NZ 3.12Å |
| 820 | R | 75.8 | Confident | 74.1 | Confident | 158 Ų | 158 | 79.4 Ų | 79.4 | 60% | 0.596 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -78 | -54.5 | 169.8 | 179.2 | 179.3 | -68 | 147.7 | 0.2 | 110.8 | K816 H817 F818 Y822 K823 E824 | K816-R820 PolarHBondContact O-N 2.91Å; K816-R820 VanDerWaalsContact O-N 3.13Å; H817-R820 PolarHBondContact O-N 3.15Å; F818-R820 PolarHBondContact O-N 2.96Å; R820-Y822 VanDerWaalsContact C-N 3.28Å; R820-Y822 PolarHBondContact O-N 2.97Å; R820-K823 PolarHBondContact O-N 3.37Å; R820-E824 WeakPolarHBondContact CD-OE1 3.37Å; R820-E824 HydrophobicContact CG-CG 4.45Å; R820-E824 WeakPolarHBondContact CG-OE1 3.34Å; R820-E824 PolarHBondContact O-N 3.46Å |
| 821 | L | 76.2 | Confident | 74.4 | Confident | 80 Ų | 80 | 80.2 Ų | 80.2 | 42% | 0.419 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.4 | -40.3 | 179.3 | -74 | 173 | 0 | 0 | 0 | 112.7 | H817 F818 E824 T825 | H817-L821 PolarHBondContact O-N 3.43Å; H817-L821 VanDerWaalsContact O-N 3.12Å; F818-L821 PolarHBondContact O-N 2.69Å; L821-E824 PolarHBondContact O-N 3.22Å; L821-T825 WeakPolarHBondContact O-CB 3.36Å; L821-T825 PolarHBondContact O-N 2.87Å; L821-T825 PolarHBondContact O-OG1 3.11Å |
| 822 | Y | 75 | Confident | 74.8 | Confident | 52 Ų | 52 | 77.7 Ų | 77.7 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 174.3 | 167.5 | -111 | 0 | 0 | 0 | 112.1 | W682 A686 F818 R820 T825 C826 | W682-Y822 HydrophobicContact CB-CD2 4.41Å; W682-Y822 HydrophobicContact CB-CE2 4.06Å; W682-Y822 HydrophobicContact CE3-CD2 4.36Å; W682-Y822 VanDerWaalsContact O-CE2 3.25Å; W682-Y822 WeakPolarHBondContact O-CE2 2.92Å; A686-Y822 HydrophobicContact CB-CD1 3.77Å; A686-Y822 HydrophobicContact CB-CD2 3.74Å; A686-Y822 HydrophobicContact CB-CE1 3.45Å; A686-Y822 VanDerWaalsContact CB-CE1 3.45Å; A686-Y822 HydrophobicContact CB-CE2 3.41Å; A686-Y822 VanDerWaalsContact CB-CE2 3.41Å; A686-Y822 HydrophobicContact CB-CG 3.91Å; F818-Y822 WeakPolarHBondContact O-CB 3.26Å; F818-Y822 PolarHBondContact O-N 3.3Å; R820-Y822 VanDerWaalsContact C-N 3.28Å; R820-Y822 PolarHBondContact O-N 2.97Å; Y822-T825 PolarHBondContact O-N 3.01Å; Y822-C826 HydrophobicContact CE2-CB 4.46Å; Y822-C826 WeakPolarHBondContact CE2-SG 2.84Å; Y822-C826 VanDerWaalsContact O-CB 3.3Å; Y822-C826 WeakPolarHBondContact O-CB 3.49Å; Y822-C826 PolarHBondContact O-N 3.22Å |
| 823 | K | 76.3 | Confident | 75.1 | Confident | 125 Ų | 125 | 76.4 Ų | 76.4 | 54% | 0.543 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 179.8 | -72.6 | 173.9 | -175.1 | 107.6 | 0 | 112 | S819 R820 A827 | S819-K823 WeakPolarHBondContact O-CD 3.16Å; S819-K823 VanDerWaalsContact O-CG 3.23Å; S819-K823 WeakPolarHBondContact O-CG 3.18Å; S819-K823 PolarHBondContact O-NZ 3.09Å; S819-K823 VanDerWaalsContact O-NZ 3.15Å; S819-K823 PolarHBondContact OG-NZ 3.12Å; R820-K823 PolarHBondContact O-N 3.37Å; K823-A827 WeakPolarHBondContact O-CB 3.04Å; K823-A827 PolarHBondContact O-N 2.59Å |
| 824 | E | 79.8 | Confident | 75.4 | Confident | 108 Ų | 108 | 74.1 Ų | 74.1 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 177.3 | -70.9 | 164.5 | -178.9 | 0 | 0 | 111 | R820 L821 A827 E828 | R820-E824 WeakPolarHBondContact CD-OE1 3.37Å; R820-E824 HydrophobicContact CG-CG 4.45Å; R820-E824 WeakPolarHBondContact CG-OE1 3.34Å; R820-E824 PolarHBondContact O-N 3.46Å; L821-E824 PolarHBondContact O-N 3.22Å; E824-A827 PolarHBondContact O-N 3.03Å; E824-E828 PolarHBondContact O-N 2.87Å |
| 825 | T | 76.8 | Confident | 75.8 | Confident | 32 Ų | 32 | 75.3 Ų | 75.3 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 178.2 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | W682 L821 Y822 E828 K829 | W682-T825 HydrophobicContact CD2-CG2 4.31Å; W682-T825 HydrophobicContact CH2-CG2 4.29Å; W682-T825 HydrophobicContact CZ2-CG2 3.81Å; L821-T825 WeakPolarHBondContact O-CB 3.36Å; L821-T825 PolarHBondContact O-N 2.87Å; L821-T825 PolarHBondContact O-OG1 3.11Å; Y822-T825 PolarHBondContact O-N 3.01Å; T825-E828 PolarHBondContact O-N 3.44Å; T825-K829 HydrophobicContact CG2-CG 4.42Å; T825-K829 WeakPolarHBondContact O-CB 3.49Å; T825-K829 VanDerWaalsContact O-CG 3.24Å; T825-K829 WeakPolarHBondContact O-CG 2.99Å; T825-K829 PolarHBondContact O-N 2.96Å |
| 826 | C | 75.5 | Confident | 76.1 | Confident | 20 Ų | 20 | 76.8 Ų | 76.8 | 14% | 0.135 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.5 | -30.8 | 176.5 | -84.5 | 0 | 0 | 0 | 0 | 113.2 | Y822 T830 | Y822-C826 HydrophobicContact CE2-CB 4.46Å; Y822-C826 WeakPolarHBondContact CE2-SG 2.84Å; Y822-C826 VanDerWaalsContact O-CB 3.3Å; Y822-C826 WeakPolarHBondContact O-CB 3.49Å; Y822-C826 PolarHBondContact O-N 3.22Å; C826-T830 VanDerWaalsContact O-CB 3.24Å; C826-T830 WeakPolarHBondContact O-CB 3.47Å; C826-T830 PolarHBondContact O-N 3.42Å; C826-T830 PolarHBondContact O-OG1 3.29Å |
| 827 | A | 77 | Confident | 76.2 | Confident | 49 Ų | 49 | 74.2 Ų | 74.2 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.8 | -53.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K823 E824 K829 T830 D831 | K823-A827 WeakPolarHBondContact O-CB 3.04Å; K823-A827 PolarHBondContact O-N 2.59Å; E824-A827 PolarHBondContact O-N 3.03Å; A827-K829 VanDerWaalsContact C-N 3.31Å; A827-K829 PolarHBondContact O-N 3.33Å; A827-T830 WeakPolarHBondContact O-CA 3.28Å; A827-T830 WeakPolarHBondContact O-CB 3.49Å; A827-T830 PolarHBondContact O-N 3.44Å; A827-D831 PolarHBondContact O-N 3.1Å |
| 828 | E | 78.2 | Confident | 76.4 | Confident | 113 Ų | 113 | 75.1 Ų | 75.1 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -55.2 | -44.2 | 179.1 | -164.3 | -159.7 | 145.5 | 0 | 0 | 112.4 | E824 T825 D831 Q832 | E824-E828 PolarHBondContact O-N 2.87Å; T825-E828 PolarHBondContact O-N 3.44Å; E828-D831 PolarHBondContact O-N 3.15Å; E828-Q832 VanDerWaalsContact O-CG 3.31Å; E828-Q832 WeakPolarHBondContact O-CG 3.33Å; E828-Q832 PolarHBondContact O-N 2.99Å; E828-Q832 PolarHBondContact OE1-NE2 3.29Å |
| 829 | K | 76.5 | Confident | 76.3 | Confident | 32 Ų | 32 | 76.7 Ų | 76.7 | 14% | 0.139 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.3 | -30.4 | 177.8 | -67.5 | -75.7 | 163.5 | 171.6 | 0 | 113.3 | E678 I679 T825 A827 L833 | E678-K829 VanDerWaalsContact OE2-CE 3.26Å; E678-K829 WeakPolarHBondContact OE2-CE 3.42Å; E678-K829 IonicContact OE2-NZ 2.75Å; E678-K829 PolarHBondContact OE2-NZ 3.36Å; I679-K829 HydrophobicContact CG1-CB 4.31Å; T825-K829 HydrophobicContact CG2-CG 4.42Å; T825-K829 WeakPolarHBondContact O-CB 3.49Å; T825-K829 VanDerWaalsContact O-CG 3.24Å; T825-K829 WeakPolarHBondContact O-CG 2.99Å; T825-K829 PolarHBondContact O-N 2.96Å; A827-K829 VanDerWaalsContact C-N 3.31Å; A827-K829 PolarHBondContact O-N 3.33Å; K829-L833 PolarHBondContact O-N 2.63Å; K829-L833 VanDerWaalsContact O-N 3.12Å |
| 830 | T | 76.2 | Confident | 76.3 | Confident | 59 Ų | 59 | 77.3 Ų | 77.3 | 36% | 0.362 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.6 | -39.9 | 173.9 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | C826 A827 L833 N834 | C826-T830 VanDerWaalsContact O-CB 3.24Å; C826-T830 WeakPolarHBondContact O-CB 3.47Å; C826-T830 PolarHBondContact O-N 3.42Å; C826-T830 PolarHBondContact O-OG1 3.29Å; A827-T830 WeakPolarHBondContact O-CA 3.28Å; A827-T830 WeakPolarHBondContact O-CB 3.49Å; A827-T830 PolarHBondContact O-N 3.44Å; T830-L833 PolarHBondContact O-N 2.86Å; T830-N834 WeakPolarHBondContact O-CB 3.24Å; T830-N834 PolarHBondContact O-N 2.9Å; T830-N834 PolarHBondContact O-ND2 3.33Å |
| 831 | D | 80.1 | Confident | 76.2 | Confident | 104 Ų | 104 | 75.9 Ų | 75.9 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.8 | -39.4 | 176.2 | -69.3 | -27.2 | 0 | 0 | 0 | 111.9 | A827 E828 L833 N834 E835 | A827-D831 PolarHBondContact O-N 3.1Å; E828-D831 PolarHBondContact O-N 3.15Å; D831-L833 VanDerWaalsContact C-N 3.32Å; D831-L833 PolarHBondContact O-N 3.29Å; D831-N834 PolarHBondContact O-N 2.89Å; D831-E835 PolarHBondContact O-N 2.82Å |
| 832 | Q | 76.7 | Confident | 76.1 | Confident | 71 Ų | 71 | 76.7 Ų | 76.7 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.3 | -40.9 | 170.1 | -73.6 | 169.4 | 20.2 | 0 | 0 | 112.3 | E828 K836 | E828-Q832 VanDerWaalsContact O-CG 3.31Å; E828-Q832 WeakPolarHBondContact O-CG 3.33Å; E828-Q832 PolarHBondContact O-N 2.99Å; E828-Q832 PolarHBondContact OE1-NE2 3.29Å; Q832-K836 PolarHBondContact O-N 2.92Å |
| 833 | L | 76.1 | Confident | 75.7 | Confident | 32 Ų | 32 | 75.5 Ų | 75.5 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.3 | -43.3 | 175.9 | 179.7 | 60.7 | 0 | 0 | 0 | 112.1 | L675 I679 K829 T830 D831 E835 K836 V837 | L675-L833 HydrophobicContact CB-CD1 4.12Å; L675-L833 HydrophobicContact CD1-CB 4.14Å; L675-L833 HydrophobicContact CD1-CD1 4.03Å; I679-L833 HydrophobicContact CD1-CB 4.45Å; I679-L833 HydrophobicContact CD1-CD2 3.76Å; K829-L833 PolarHBondContact O-N 2.63Å; K829-L833 VanDerWaalsContact O-N 3.12Å; T830-L833 PolarHBondContact O-N 2.86Å; D831-L833 VanDerWaalsContact C-N 3.32Å; D831-L833 PolarHBondContact O-N 3.29Å; L833-E835 VanDerWaalsContact C-N 3.29Å; L833-E835 PolarHBondContact O-N 2.79Å; L833-K836 PolarHBondContact O-N 3.02Å; L833-V837 HydrophobicContact CD1-CG2 4.35Å; L833-V837 WeakPolarHBondContact O-CG2 3.44Å; L833-V837 PolarHBondContact O-N 2.74Å |
| 834 | N | 77.9 | Confident | 75.4 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 42% | 0.422 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 178.2 | -72.9 | -28.2 | 0 | 0 | 0 | 111.7 | T830 D831 V837 R838 | T830-N834 WeakPolarHBondContact O-CB 3.24Å; T830-N834 PolarHBondContact O-N 2.9Å; T830-N834 PolarHBondContact O-ND2 3.33Å; D831-N834 PolarHBondContact O-N 2.89Å; N834-V837 PolarHBondContact O-N 3.02Å; N834-R838 WeakPolarHBondContact O-CB 3.39Å; N834-R838 PolarHBondContact O-N 3.06Å |
| 835 | E | 78.2 | Confident | 75.2 | Confident | 90 Ų | 90 | 73 Ų | 73 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.8 | -37.8 | 177 | -163.9 | 62.8 | -170 | 0 | 0 | 112 | D831 L833 V837 R838 E839 | D831-E835 PolarHBondContact O-N 2.82Å; L833-E835 VanDerWaalsContact C-N 3.29Å; L833-E835 PolarHBondContact O-N 2.79Å; E835-V837 VanDerWaalsContact C-N 3.34Å; E835-V837 PolarHBondContact O-N 3.25Å; E835-R838 WeakPolarHBondContact O-CB 3.4Å; E835-R838 PolarHBondContact O-N 2.8Å; E835-R838 IonicContact OE2-CZ 3.49Å; E835-R838 IonicContact OE2-NH1 3.63Å; E835-R838 PolarHBondContact OE2-NH1 3.31Å; E835-E839 WeakPolarHBondContact O-CG 2.94Å; E835-E839 PolarHBondContact O-N 3.43Å |
| 836 | K | 73.7 | Confident | 74.6 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.8 | -27.5 | 173 | -67.4 | -46 | -169.4 | -174.2 | 0 | 114 | L675 Q832 L833 E839 L840 | L675-K836 HydrophobicContact CD1-CG 4.42Å; Q832-K836 PolarHBondContact O-N 2.92Å; L833-K836 PolarHBondContact O-N 3.02Å; K836-E839 VanDerWaalsContact CD-CD 3.48Å; K836-E839 WeakPolarHBondContact CD-OE1 3.46Å; K836-E839 WeakPolarHBondContact CD-OE2 3.1Å; K836-E839 IonicContact NZ-OE1 3.39Å; K836-E839 PolarHBondContact NZ-OE1 3.39Å; K836-E839 IonicContact NZ-OE2 2.79Å; K836-E839 PolarHBondContact NZ-OE2 3.28Å; K836-L840 PolarHBondContact O-N 3.32Å |
| 837 | V | 75.1 | Confident | 74.1 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 35% | 0.352 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.2 | -41.8 | 167.9 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L833 N834 E835 E839 L840 E841 | L833-V837 HydrophobicContact CD1-CG2 4.35Å; L833-V837 WeakPolarHBondContact O-CG2 3.44Å; L833-V837 PolarHBondContact O-N 2.74Å; N834-V837 PolarHBondContact O-N 3.02Å; E835-V837 VanDerWaalsContact C-N 3.34Å; E835-V837 PolarHBondContact O-N 3.25Å; V837-E839 PolarHBondContact O-N 3.04Å; V837-L840 WeakPolarHBondContact O-CB 3.08Å; V837-L840 PolarHBondContact O-N 3.08Å; V837-L840 VanDerWaalsContact O-N 3.13Å; V837-E841 HydrophobicContact CG1-CG 4.31Å; V837-E841 WeakPolarHBondContact O-CG 3.43Å; V837-E841 PolarHBondContact O-N 3.48Å |
| 838 | R | 78.6 | Confident | 73.7 | Confident | 134 Ų | 134 | 71.8 Ų | 71.8 | 51% | 0.506 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 175.3 | 178.9 | 175.9 | -70 | 129.3 | 2.3 | 112.7 | N834 E835 L840 E841 L842 | N834-R838 WeakPolarHBondContact O-CB 3.39Å; N834-R838 PolarHBondContact O-N 3.06Å; E835-R838 WeakPolarHBondContact O-CB 3.4Å; E835-R838 PolarHBondContact O-N 2.8Å; E835-R838 IonicContact OE2-CZ 3.49Å; E835-R838 IonicContact OE2-NH1 3.63Å; E835-R838 PolarHBondContact OE2-NH1 3.31Å; R838-L840 VanDerWaalsContact C-N 3.29Å; R838-L840 PolarHBondContact O-N 3.24Å; R838-E841 PolarHBondContact O-N 2.93Å; R838-L842 HydrophobicContact CG-CD1 4.15Å; R838-L842 WeakPolarHBondContact O-CB 3.48Å; R838-L842 VanDerWaalsContact O-CG 3.27Å; R838-L842 WeakPolarHBondContact O-CG 3.12Å; R838-L842 PolarHBondContact O-N 2.8Å |
| 839 | E | 72.3 | Confident | 73.4 | Confident | 91 Ų | 91 | 69 Ų | 69 | 43% | 0.425 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | 172.4 | -75.6 | 175.7 | -157.5 | 0 | 0 | 112.2 | E835 K836 V837 L843 | E835-E839 WeakPolarHBondContact O-CG 2.94Å; E835-E839 PolarHBondContact O-N 3.43Å; K836-E839 VanDerWaalsContact CD-CD 3.48Å; K836-E839 WeakPolarHBondContact CD-OE1 3.46Å; K836-E839 WeakPolarHBondContact CD-OE2 3.1Å; K836-E839 IonicContact NZ-OE1 3.39Å; K836-E839 PolarHBondContact NZ-OE1 3.39Å; K836-E839 IonicContact NZ-OE2 2.79Å; K836-E839 PolarHBondContact NZ-OE2 3.28Å; V837-E839 PolarHBondContact O-N 3.04Å; E839-L843 PolarHBondContact O-N 2.74Å |
| 840 | L | 69.8 | Low | 72.7 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.3 | -44.8 | 177.2 | -88 | 164.6 | 0 | 0 | 0 | 113.4 | A668 K836 V837 R838 L842 L843 H844 | A668-L840 HydrophobicContact CB-CD1 3.69Å; A668-L840 HydrophobicContact CB-CD2 3.29Å; A668-L840 HydrophobicContact CB-CG 3.84Å; K836-L840 PolarHBondContact O-N 3.32Å; V837-L840 WeakPolarHBondContact O-CB 3.08Å; V837-L840 PolarHBondContact O-N 3.08Å; V837-L840 VanDerWaalsContact O-N 3.13Å; R838-L840 VanDerWaalsContact C-N 3.29Å; R838-L840 PolarHBondContact O-N 3.24Å; L840-L842 VanDerWaalsContact C-N 3.32Å; L840-L843 PolarHBondContact O-N 3.34Å; L840-H844 PolarHBondContact O-N 3.29Å |
| 841 | E | 74.1 | Confident | 72.2 | Confident | 128 Ų | 128 | 65.6 Ų | 65.6 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 176.5 | -71.9 | 178.2 | 159 | 0 | 0 | 111 | V837 R838 H844 D845 | V837-E841 HydrophobicContact CG1-CG 4.31Å; V837-E841 WeakPolarHBondContact O-CG 3.43Å; V837-E841 PolarHBondContact O-N 3.48Å; R838-E841 PolarHBondContact O-N 2.93Å; E841-H844 PolarHBondContact O-N 3.23Å; E841-D845 PolarHBondContact O-N 3Å |
| 842 | L | 74.2 | Confident | 71.7 | Confident | 97 Ų | 97 | 66.6 Ų | 66.6 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 172.5 | -76.5 | 168.2 | 0 | 0 | 0 | 111.9 | R838 L840 H844 H846 | R838-L842 HydrophobicContact CG-CD1 4.15Å; R838-L842 WeakPolarHBondContact O-CB 3.48Å; R838-L842 VanDerWaalsContact O-CG 3.27Å; R838-L842 WeakPolarHBondContact O-CG 3.12Å; R838-L842 PolarHBondContact O-N 2.8Å; L840-L842 VanDerWaalsContact C-N 3.32Å; L842-H844 VanDerWaalsContact C-N 3.34Å; L842-H844 PolarHBondContact O-N 3.3Å; L842-H846 WeakPolarHBondContact O-CB 3.41Å; L842-H846 PolarHBondContact O-N 2.97Å |
| 843 | L | 66.8 | Low | 71.2 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 176.1 | -163.1 | 98.3 | 0 | 0 | 0 | 112.1 | R71 L661 A664 E839 L840 H846 Y847 | R71-L843 HydrophobicContact CB-CD1 3.97Å; R71-L843 HydrophobicContact CG-CD1 4.17Å; L661-L843 HydrophobicContact CD1-CD2 4.46Å; A664-L843 HydrophobicContact CB-CD1 4.46Å; A664-L843 HydrophobicContact CB-CD2 3.41Å; A664-L843 VanDerWaalsContact CB-CD2 3.41Å; E839-L843 PolarHBondContact O-N 2.74Å; L840-L843 PolarHBondContact O-N 3.34Å; L843-H846 WeakPolarHBondContact O-CA 3.48Å; L843-H846 WeakPolarHBondContact O-CB 3.35Å; L843-H846 PolarHBondContact O-N 3.37Å; L843-Y847 PolarHBondContact O-N 3.13Å |
| 844 | H | 70.8 | Confident | 70.6 | Confident | 103 Ų | 103 | 61.9 Ų | 61.9 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -76.6 | -38.4 | 179.8 | -165.4 | 84.5 | 0 | 0 | 0 | 113 | L840 E841 L842 H846 Y847 A848 | L840-H844 PolarHBondContact O-N 3.29Å; E841-H844 PolarHBondContact O-N 3.23Å; L842-H844 VanDerWaalsContact C-N 3.34Å; L842-H844 PolarHBondContact O-N 3.3Å; H844-H846 PolarHBondContact O-N 3.33Å; H844-Y847 CarbonylContact O-C 3.55Å; H844-Y847 PolarHBondContact O-N 3.45Å; H844-Y847 VanDerWaalsContact O-N 3.12Å; H844-A848 WeakPolarHBondContact O-CB 3.29Å; H844-A848 PolarHBondContact O-N 2.66Å |
| 845 | D | 74 | Confident | 70.1 | Confident | 79 Ų | 79 | 61 Ų | 61 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.5 | -11.9 | 166.9 | -179.1 | 48.7 | 0 | 0 | 0 | 112.2 | E841 K849 | E841-D845 PolarHBondContact O-N 3Å; D845-K849 WeakPolarHBondContact O-CG 3.32Å; D845-K849 PolarHBondContact O-NZ 3.2Å; D845-K849 WeakPolarHBondContact OD1-CE 3.33Å; D845-K849 IonicContact OD1-NZ 2.77Å; D845-K849 PolarHBondContact OD1-NZ 3.34Å; D845-K849 WeakPolarHBondContact OD2-CE 3.15Å; D845-K849 IonicContact OD2-NZ 2.67Å; D845-K849 PolarHBondContact OD2-NZ 2.82Å |
| 846 | H | 65.4 | Low | 69.7 | Low | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.2 | -51.2 | 160.9 | -139.4 | -116.6 | 0 | 0 | 0 | 110.2 | A67 F68 L69 Q70 R71 F72 L73 L842 L843 H844 A848 K849 S850 | A67-H846 VanDerWaalsContact C-ND1 3.26Å; A67-H846 WeakPolarHBondContact CA-CE1 3.47Å; A67-H846 VanDerWaalsContact CA-ND1 3.3Å; A67-H846 WeakPolarHBondContact CA-ND1 3.21Å; A67-H846 WeakPolarHBondContact CB-CE1 3.4Å; A67-H846 PolarHBondContact O-CE1 2.84Å; A67-H846 PolarHBondContact O-ND1 3.05Å; A67-H846 PolarHBondContact O-NE2 3.47Å; F68-H846 PolarHBondContact O-NE2 2.89Å; L69-H846 PolarHBondContact O-NE2 3.11Å; Q70-H846 WeakPolarHBondContact CA-CD2 3.46Å; Q70-H846 WeakPolarHBondContact CA-CE1 3.36Å; Q70-H846 WeakPolarHBondContact CA-ND1 3.35Å; Q70-H846 WeakPolarHBondContact CA-NE2 3.33Å; Q70-H846 HydrophobicContact CB-CB 3.68Å; Q70-H846 WeakPolarHBondContact CB-CD2 3.07Å; Q70-H846 WeakPolarHBondContact CB-ND1 3.3Å; Q70-H846 HydrophobicContact CG-CB 4.2Å; Q70-H846 WeakPolarHBondContact CG-CD2 3.35Å; Q70-H846 VanDerWaalsContact CG-CG 3.44Å; Q70-H846 PolarHBondContact N-CE1 3.04Å; Q70-H846 PolarHBondContact N-ND1 2.99Å; Q70-H846 PolarHBondContact N-NE2 3.16Å; Q70-H846 WeakPolarHBondContact O-CB 3.45Å; Q70-H846 PolarHBondContact O-CD2 2.86Å; Q70-H846 PolarHBondContact O-ND1 2.62Å; R71-H846 WeakPolarHBondContact CA-NE2 3.13Å; R71-H846 PolarHBondContact N-CE1 3.45Å; R71-H846 PolarHBondContact N-ND1 3.31Å; R71-H846 PolarHBondContact N-NE2 3.37Å; F72-H846 WeakPolarHBondContact CA-NE2 3.48Å; F72-H846 PolarHBondContact N-NE2 2.96Å; L73-H846 PolarHBondContact N-NE2 2.99Å; L842-H846 WeakPolarHBondContact O-CB 3.41Å; L842-H846 PolarHBondContact O-N 2.97Å; L843-H846 WeakPolarHBondContact O-CA 3.48Å; L843-H846 WeakPolarHBondContact O-CB 3.35Å; L843-H846 PolarHBondContact O-N 3.37Å; H844-H846 PolarHBondContact O-N 3.33Å; H846-A848 PolarHBondContact O-N 3.21Å; H846-K849 PolarHBondContact O-N 3.09Å; H846-S850 PolarHBondContact O-N 3.48Å |
| 847 | Y | 64 | Low | 69.3 | Low | 44 Ų | 44 | 59.2 Ų | 59.2 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 178.2 | -170.9 | -89.3 | 0 | 0 | 0 | 113.4 | E63 A67 M657 L661 L843 H844 K849 S850 C851 | E63-Y847 HydrophobicContact CB-CE2 4.41Å; E63-Y847 VanDerWaalsContact CB-OH 3.31Å; E63-Y847 WeakPolarHBondContact CB-OH 3.17Å; E63-Y847 WeakPolarHBondContact O-CE2 3.47Å; E63-Y847 PolarHBondContact OE2-OH 3.2Å; A67-Y847 HydrophobicContact CB-CD2 3.86Å; A67-Y847 HydrophobicContact CB-CG 4.36Å; M657-Y847 HydrophobicContact CE-CD2 3.49Å; M657-Y847 VanDerWaalsContact CE-CD2 3.49Å; M657-Y847 HydrophobicContact CE-CE2 3.51Å; L661-Y847 HydrophobicContact CD1-CD2 3.85Å; L661-Y847 HydrophobicContact CD1-CG 4.22Å; L661-Y847 HydrophobicContact CD2-CD2 3.85Å; L661-Y847 HydrophobicContact CD2-CE2 3.66Å; L661-Y847 HydrophobicContact CG-CD2 4.35Å; L843-Y847 PolarHBondContact O-N 3.13Å; H844-Y847 CarbonylContact O-C 3.55Å; H844-Y847 PolarHBondContact O-N 3.45Å; H844-Y847 VanDerWaalsContact O-N 3.12Å; Y847-K849 VanDerWaalsContact C-N 3.33Å; Y847-K849 PolarHBondContact O-N 2.81Å; Y847-S850 CarbonylContact O-C 3.5Å; Y847-S850 WeakPolarHBondContact O-CA 3.39Å; Y847-S850 WeakPolarHBondContact O-CB 3.39Å; Y847-S850 PolarHBondContact O-N 3.44Å; Y847-C851 WeakPolarHBondContact CE1-SG 3.22Å; Y847-C851 PolarHBondContact O-N 3.09Å; Y847-C851 VanDerWaalsContact O-N 3.08Å; Y847-C851 PolarHBondContact O-SG 3.12Å |
| 848 | A | 69.8 | Low | 68.8 | Low | 27 Ų | 27 | 58.1 Ų | 58.1 | 22% | 0.223 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H844 H846 S850 R852 | H844-A848 WeakPolarHBondContact O-CB 3.29Å; H844-A848 PolarHBondContact O-N 2.66Å; H846-A848 PolarHBondContact O-N 3.21Å; A848-S850 VanDerWaalsContact C-N 3.33Å; A848-R852 VanDerWaalsContact O-CZ 3.25Å; A848-R852 PolarHBondContact O-NH1 3.02Å |
| 849 | K | 72.1 | Confident | 68.5 | Low | 53 Ų | 53 | 56.4 Ų | 56.4 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -81.4 | -15.4 | 169.3 | 5.3 | -162 | 173.5 | 58.7 | 0 | 112.1 | L66 Q70 D845 H846 Y847 C851 R852 A853 | L66-K849 WeakPolarHBondContact CD1-O 3.44Å; L66-K849 HydrophobicContact CD2-CB 4.5Å; L66-K849 WeakPolarHBondContact CD2-O 3.49Å; Q70-K849 VanDerWaalsContact OE1-CD 3.24Å; Q70-K849 VanDerWaalsContact OE1-CE 3.28Å; D845-K849 WeakPolarHBondContact O-CG 3.32Å; D845-K849 PolarHBondContact O-NZ 3.2Å; D845-K849 WeakPolarHBondContact OD1-CE 3.33Å; D845-K849 IonicContact OD1-NZ 2.77Å; D845-K849 PolarHBondContact OD1-NZ 3.34Å; D845-K849 WeakPolarHBondContact OD2-CE 3.15Å; D845-K849 IonicContact OD2-NZ 2.67Å; D845-K849 PolarHBondContact OD2-NZ 2.82Å; H846-K849 PolarHBondContact O-N 3.09Å; Y847-K849 VanDerWaalsContact C-N 3.33Å; Y847-K849 PolarHBondContact O-N 2.81Å; K849-C851 PolarHBondContact O-N 2.84Å; K849-R852 WeakPolarHBondContact O-CA 3.04Å; K849-R852 WeakPolarHBondContact O-CB 3.31Å; K849-R852 PolarHBondContact O-N 3.38Å; K849-A853 PolarHBondContact O-N 3.24Å; K849-A853 VanDerWaalsContact O-N 3.15Å |
| 850 | S | 61 | Low | 68.4 | Low | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.6 | -38.3 | 166.8 | -165.3 | 0 | 0 | 0 | 0 | 112.8 | E63 N64 L66 A67 H846 Y847 A848 R852 A853 N854 | E63-S850 WeakPolarHBondContact O-CB 3.2Å; E63-S850 PolarHBondContact O-OG 3.05Å; N64-S850 PolarHBondContact N-OG 3.21Å; L66-S850 VanDerWaalsContact CA-OG 3.24Å; L66-S850 WeakPolarHBondContact CA-OG 3.44Å; L66-S850 WeakPolarHBondContact CB-OG 3.22Å; L66-S850 PolarHBondContact N-OG 3.25Å; A67-S850 PolarHBondContact N-OG 3.3Å; H846-S850 PolarHBondContact O-N 3.48Å; Y847-S850 CarbonylContact O-C 3.5Å; Y847-S850 WeakPolarHBondContact O-CA 3.39Å; Y847-S850 WeakPolarHBondContact O-CB 3.39Å; Y847-S850 PolarHBondContact O-N 3.44Å; A848-S850 VanDerWaalsContact C-N 3.33Å; S850-R852 PolarHBondContact O-N 2.71Å; S850-A853 CarbonylContact O-C 3.51Å; S850-N854 PolarHBondContact O-ND2 3.2Å |
| 851 | C | 64.6 | Low | 68.4 | Low | 20 Ų | 20 | 57.3 Ų | 57.3 | 14% | 0.135 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 12 | 173.3 | -44.8 | 0 | 0 | 0 | 0 | 112.6 | K61 E63 Y847 K849 A853 | K61-C851 WeakPolarHBondContact CB-O 3.48Å; K61-C851 WeakPolarHBondContact CD-O 3.48Å; K61-C851 WeakPolarHBondContact CE-O 3.23Å; K61-C851 PolarHBondContact NZ-O 3.45Å; K61-C851 CarbonylContact O-C 3.55Å; K61-C851 WeakPolarHBondContact O-CA 3.3Å; E63-C851 HydrophobicContact CB-CB 4.47Å; E63-C851 HydrophobicContact CG-CB 4.18Å; E63-C851 WeakPolarHBondContact OE1-CB 3.5Å; E63-C851 PolarHBondContact OE2-SG 3.3Å; Y847-C851 WeakPolarHBondContact CE1-SG 3.22Å; Y847-C851 PolarHBondContact O-N 3.09Å; Y847-C851 VanDerWaalsContact O-N 3.08Å; Y847-C851 PolarHBondContact O-SG 3.12Å; K849-C851 PolarHBondContact O-N 2.84Å; C851-A853 CarbonylContact C-O 3.54Å |
| 852 | R | 70.6 | Confident | 68.3 | Low | 125 Ų | 125 | 56.1 Ų | 56.1 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -32.5 | -177.8 | -67.6 | -168.7 | -72.2 | -95.6 | 11.3 | 113.4 | K61 A848 K849 S850 | K61-R852 WeakPolarHBondContact CB-O 3.44Å; K61-R852 PolarHBondContact N-O 3.24Å; A848-R852 VanDerWaalsContact O-CZ 3.25Å; A848-R852 PolarHBondContact O-NH1 3.02Å; K849-R852 WeakPolarHBondContact O-CA 3.04Å; K849-R852 WeakPolarHBondContact O-CB 3.31Å; K849-R852 PolarHBondContact O-N 3.38Å; S850-R852 PolarHBondContact O-N 2.71Å |
| 853 | A | 66.1 | Low | 68.3 | Low | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -86.9 | 171.7 | 140.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V57 V60 K61 N62 L66 K849 S850 C851 | V57-A853 HydrophobicContact CB-CB 4.05Å; V57-A853 HydrophobicContact CG1-CB 4.16Å; V57-A853 HydrophobicContact CG2-CB 3.66Å; V60-A853 HydrophobicContact CB-CB 3.6Å; V60-A853 HydrophobicContact CG2-CB 3.77Å; V60-A853 WeakPolarHBondContact O-CA 3.45Å; V60-A853 WeakPolarHBondContact O-CB 3.44Å; K61-A853 CarbonylContact C-O 3.14Å; K61-A853 WeakPolarHBondContact CA-O 3.44Å; K61-A853 PolarHBondContact N-O 2.66Å; K61-A853 VanDerWaalsContact N-O 3.08Å; N62-A853 VanDerWaalsContact O-O 3.04Å; L66-A853 VanDerWaalsContact CD1-C 3.44Å; L66-A853 HydrophobicContact CD1-CB 3.03Å; L66-A853 HydrophobicContact CG-CB 4.24Å; K849-A853 PolarHBondContact O-N 3.24Å; K849-A853 VanDerWaalsContact O-N 3.15Å; S850-A853 CarbonylContact O-C 3.51Å; C851-A853 CarbonylContact C-O 3.54Å |
| 854 | N | 63.3 | Low | 68.6 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 111.5 | -33.7 | -170.2 | 22.1 | -83.2 | 0 | 0 | 0 | 123.8 | V60 K61 N62 M65 L66 F650 S850 A857 | V60-N854 VanDerWaalsContact CA-CA 3.49Å; V60-N854 HydrophobicContact CB-CB 3.76Å; V60-N854 HydrophobicContact CG1-CB 3.2Å; V60-N854 WeakPolarHBondContact CG1-OD1 3.33Å; K61-N854 VanDerWaalsContact CA-C 3.48Å; N62-N854 HydrophobicContact CB-CB 3.93Å; N62-N854 WeakPolarHBondContact CB-O 3.48Å; N62-N854 VanDerWaalsContact CG-CB 3.49Å; N62-N854 PolarHBondContact N-O 3.08Å; N62-N854 WeakPolarHBondContact O-CA 3.47Å; N62-N854 VanDerWaalsContact O-CB 3.31Å; N62-N854 WeakPolarHBondContact O-CB 3.24Å; N62-N854 PolarHBondContact O-ND2 3.02Å; M65-N854 WeakPolarHBondContact CA-ND2 3.42Å; M65-N854 HydrophobicContact CB-CB 4.09Å; M65-N854 WeakPolarHBondContact CB-ND2 3.29Å; M65-N854 VanDerWaalsContact CB-OD1 3.32Å; M65-N854 WeakPolarHBondContact CB-OD1 3.44Å; M65-N854 HydrophobicContact CG-CB 3.53Å; M65-N854 PolarHBondContact N-ND2 2.79Å; M65-N854 HydrophobicContact SD-CB 3.69Å; L66-N854 WeakPolarHBondContact CB-ND2 3.43Å; L66-N854 PolarHBondContact N-ND2 3.03Å; F650-N854 WeakPolarHBondContact CD2-O 3.17Å; F650-N854 WeakPolarHBondContact CE2-O 3.2Å; S850-N854 PolarHBondContact O-ND2 3.2Å; N854-A857 VanDerWaalsContact O-CB 3.28Å; N854-A857 WeakPolarHBondContact O-CB 3.45Å |
| 855 | Q | 68.2 | Low | 68.7 | Low | 62 Ų | 62 | 51.4 Ų | 51.4 | 29% | 0.29 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -152.4 | -2.6 | -161.8 | 165.7 | -89.1 | -89.1 | 0 | 0 | 117.8 | K61 A857 C858 E859 | K61-Q855 VanDerWaalsContact CA-CB 3.42Å; K61-Q855 HydrophobicContact CB-CB 4.33Å; K61-Q855 HydrophobicContact CG-CB 4.03Å; K61-Q855 HydrophobicContact CG-CG 4.24Å; Q855-A857 CarbonylContact O-C 3.58Å; Q855-A857 PolarHBondContact O-N 3.25Å; Q855-C858 HydrophobicContact CB-CB 4.32Å; Q855-C858 VanDerWaalsContact CB-SG 3.57Å; Q855-C858 HydrophobicContact CG-CB 3.64Å; Q855-C858 WeakPolarHBondContact CG-SG 3.27Å; Q855-C858 WeakPolarHBondContact O-CA 3.15Å; Q855-C858 WeakPolarHBondContact O-CB 3.45Å; Q855-C858 PolarHBondContact O-N 3.05Å; Q855-E859 PolarHBondContact NE2-OE1 2.91Å; Q855-E859 VanDerWaalsContact NE2-OE1 3.15Å; Q855-E859 PolarHBondContact O-N 3.28Å; Q855-E859 VanDerWaalsContact O-N 3.08Å |
| 856 | R | 69.5 | Low | 69 | Low | 116 Ų | 116 | 55 Ų | 55 | 44% | 0.438 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -52.6 | -6.6 | 133.1 | -39.2 | 157.8 | 176.2 | 153.2 | -8.6 | 109.8 | V57 S59 V60 E859 K860 | V57-R856 PolarHBondContact O-NH1 2.86Å; S59-R856 CarbonylContact C-O 3.6Å; S59-R856 WeakPolarHBondContact CA-O 3.49Å; S59-R856 CarbonylContact O-C 3.56Å; V60-R856 VanDerWaalsContact N-CA 3.35Å; V60-R856 WeakPolarHBondContact O-CB 3.49Å; V60-R856 WeakPolarHBondContact O-CD 3.19Å; V60-R856 WeakPolarHBondContact O-CG 3.32Å; V60-R856 PolarHBondContact O-N 3.45Å; R856-E859 WeakPolarHBondContact CA-OE2 3.5Å; R856-E859 WeakPolarHBondContact CB-OE2 2.91Å; R856-E859 WeakPolarHBondContact CG-OE2 3.48Å; R856-K860 PolarHBondContact O-N 3.21Å |
| 857 | A | 64.5 | Low | 69.6 | Low | 14 Ų | 14 | 56.3 Ų | 56.3 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.7 | -59.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | S59 V60 F650 N854 Q855 E859 K860 Y861 | S59-A857 WeakPolarHBondContact O-CA 3.3Å; S59-A857 WeakPolarHBondContact O-CB 3.1Å; S59-A857 PolarHBondContact O-N 2.66Å; V60-A857 HydrophobicContact CB-CB 4.43Å; V60-A857 HydrophobicContact CG1-CB 3.82Å; F650-A857 HydrophobicContact CD2-CB 4.37Å; F650-A857 HydrophobicContact CE2-CB 4.4Å; N854-A857 VanDerWaalsContact O-CB 3.28Å; N854-A857 WeakPolarHBondContact O-CB 3.45Å; Q855-A857 CarbonylContact O-C 3.58Å; Q855-A857 PolarHBondContact O-N 3.25Å; A857-E859 PolarHBondContact O-N 3.37Å; A857-E859 VanDerWaalsContact O-N 3.16Å; A857-K860 CarbonylContact O-C 3.51Å; A857-K860 WeakPolarHBondContact O-CA 3.49Å; A857-K860 PolarHBondContact O-N 3.41Å; A857-Y861 WeakPolarHBondContact O-CA 3.33Å; A857-Y861 WeakPolarHBondContact O-CB 3.03Å; A857-Y861 PolarHBondContact O-N 2.89Å |
| 858 | C | 66 | Low | 70.3 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -50.6 | -40.8 | 170.6 | -48.1 | 0 | 0 | 0 | 0 | 110.8 | Q855 K860 Y861 E862 | Q855-C858 HydrophobicContact CB-CB 4.32Å; Q855-C858 VanDerWaalsContact CB-SG 3.57Å; Q855-C858 HydrophobicContact CG-CB 3.64Å; Q855-C858 WeakPolarHBondContact CG-SG 3.27Å; Q855-C858 WeakPolarHBondContact O-CA 3.15Å; Q855-C858 WeakPolarHBondContact O-CB 3.45Å; Q855-C858 PolarHBondContact O-N 3.05Å; C858-K860 PolarHBondContact O-N 3.33Å; C858-Y861 PolarHBondContact O-N 3.25Å; C858-E862 WeakPolarHBondContact O-CA 3.47Å; C858-E862 WeakPolarHBondContact O-CB 3.32Å; C858-E862 VanDerWaalsContact O-CD 3.27Å; C858-E862 WeakPolarHBondContact O-CG 3.31Å; C858-E862 PolarHBondContact O-N 2.94Å |
| 859 | E | 71.9 | Confident | 70.7 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 46% | 0.458 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 173.1 | -65.1 | 147.2 | -135.9 | 0 | 0 | 114 | Q855 R856 A857 A863 | Q855-E859 PolarHBondContact NE2-OE1 2.91Å; Q855-E859 VanDerWaalsContact NE2-OE1 3.15Å; Q855-E859 PolarHBondContact O-N 3.28Å; Q855-E859 VanDerWaalsContact O-N 3.08Å; R856-E859 WeakPolarHBondContact CA-OE2 3.5Å; R856-E859 WeakPolarHBondContact CB-OE2 2.91Å; R856-E859 WeakPolarHBondContact CG-OE2 3.48Å; A857-E859 PolarHBondContact O-N 3.37Å; A857-E859 VanDerWaalsContact O-N 3.16Å; E859-A863 WeakPolarHBondContact O-CB 3.45Å; E859-A863 PolarHBondContact O-N 3.16Å; E859-A863 VanDerWaalsContact O-N 3.11Å |
| 860 | K | 71 | Confident | 71.1 | Confident | 108 Ų | 108 | 60.7 Ų | 60.7 | 47% | 0.47 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -80 | -19.5 | 174 | -73.7 | -145.3 | -159.7 | 161.8 | 0 | 115 | K58 S59 R856 A857 C858 A863 A864 | K58-K860 WeakPolarHBondContact O-CE 3.38Å; K58-K860 PolarHBondContact O-NZ 3.45Å; S59-K860 VanDerWaalsContact CB-CE 3.44Å; R856-K860 PolarHBondContact O-N 3.21Å; A857-K860 CarbonylContact O-C 3.51Å; A857-K860 WeakPolarHBondContact O-CA 3.49Å; A857-K860 PolarHBondContact O-N 3.41Å; C858-K860 PolarHBondContact O-N 3.33Å; K860-A863 WeakPolarHBondContact O-CB 3.43Å; K860-A863 PolarHBondContact O-N 3Å; K860-A864 WeakPolarHBondContact O-CB 3.37Å; K860-A864 PolarHBondContact O-N 3.01Å |
| 861 | Y | 68.9 | Low | 72 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 24% | 0.239 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -83.9 | -41.9 | 178.3 | 168.3 | -89.6 | 0 | 0 | 0 | 108.8 | I643 E647 A857 C858 A863 A864 L865 | I643-Y861 HydrophobicContact CG2-CD2 4.31Å; I643-Y861 HydrophobicContact CG2-CE2 3.64Å; E647-Y861 HydrophobicContact CG-CE2 3.86Å; E647-Y861 PolarHBondContact OE1-OH 3.12Å; A857-Y861 WeakPolarHBondContact O-CA 3.33Å; A857-Y861 WeakPolarHBondContact O-CB 3.03Å; A857-Y861 PolarHBondContact O-N 2.89Å; C858-Y861 PolarHBondContact O-N 3.25Å; Y861-A863 PolarHBondContact O-N 3.35Å; Y861-A864 PolarHBondContact O-N 3.26Å; Y861-L865 HydrophobicContact CD1-CD1 3.79Å; Y861-L865 HydrophobicContact CE1-CD1 3.43Å; Y861-L865 VanDerWaalsContact CE1-CD1 3.43Å; Y861-L865 HydrophobicContact CE1-CG 4.42Å; Y861-L865 WeakPolarHBondContact O-CB 3.49Å; Y861-L865 WeakPolarHBondContact O-CG 3.22Å; Y861-L865 PolarHBondContact O-N 3.38Å |
| 862 | E | 71.5 | Confident | 72.6 | Confident | 103 Ų | 103 | 65.4 Ų | 65.4 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -28.3 | 162.4 | -71.3 | 162.4 | -154.4 | 0 | 0 | 111.8 | C858 R866 | C858-E862 WeakPolarHBondContact O-CA 3.47Å; C858-E862 WeakPolarHBondContact O-CB 3.32Å; C858-E862 VanDerWaalsContact O-CD 3.27Å; C858-E862 WeakPolarHBondContact O-CG 3.31Å; C858-E862 PolarHBondContact O-N 2.94Å; E862-R866 WeakPolarHBondContact O-CG 3.44Å; E862-R866 PolarHBondContact O-N 2.89Å; E862-R866 PolarHBondContact O-NE 2.69Å |
| 863 | A | 75.6 | Confident | 73 | Confident | 41 Ų | 41 | 64 Ų | 64 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -75.4 | -43.6 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | E859 K860 Y861 R866 A867 | E859-A863 WeakPolarHBondContact O-CB 3.45Å; E859-A863 PolarHBondContact O-N 3.16Å; E859-A863 VanDerWaalsContact O-N 3.11Å; K860-A863 WeakPolarHBondContact O-CB 3.43Å; K860-A863 PolarHBondContact O-N 3Å; Y861-A863 PolarHBondContact O-N 3.35Å; A863-R866 WeakPolarHBondContact O-CB 3.32Å; A863-R866 PolarHBondContact O-N 3.19Å; A863-A867 PolarHBondContact O-N 2.82Å |
| 864 | A | 72 | Confident | 73.6 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I643 K860 Y861 R866 A867 L868 | I643-A864 HydrophobicContact CD1-CB 4.09Å; I643-A864 HydrophobicContact CG1-CB 3.86Å; K860-A864 WeakPolarHBondContact O-CB 3.37Å; K860-A864 PolarHBondContact O-N 3.01Å; Y861-A864 PolarHBondContact O-N 3.26Å; A864-R866 VanDerWaalsContact C-N 3.31Å; A864-R866 PolarHBondContact O-N 3.19Å; A864-A867 PolarHBondContact O-N 3.37Å; A864-L868 PolarHBondContact O-N 2.83Å |
| 865 | L | 73.8 | Confident | 74 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 173.6 | -78.7 | 167 | 0 | 0 | 0 | 112.4 | I643 Y861 N869 | I643-L865 HydrophobicContact CD1-CD2 4.06Å; I643-L865 HydrophobicContact CD1-CG 4.23Å; Y861-L865 HydrophobicContact CD1-CD1 3.79Å; Y861-L865 HydrophobicContact CE1-CD1 3.43Å; Y861-L865 VanDerWaalsContact CE1-CD1 3.43Å; Y861-L865 HydrophobicContact CE1-CG 4.42Å; Y861-L865 WeakPolarHBondContact O-CB 3.49Å; Y861-L865 WeakPolarHBondContact O-CG 3.22Å; Y861-L865 PolarHBondContact O-N 3.38Å; L865-N869 PolarHBondContact O-N 3.3Å |
| 866 | R | 78.9 | Confident | 74.2 | Confident | 154 Ų | 154 | 67.3 Ų | 67.3 | 58% | 0.581 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.3 | -46.1 | 173.1 | -81.2 | 177.8 | -76.8 | 169.7 | -5.4 | 111.5 | E862 A863 A864 L868 N869 E870 | E862-R866 WeakPolarHBondContact O-CG 3.44Å; E862-R866 PolarHBondContact O-N 2.89Å; E862-R866 PolarHBondContact O-NE 2.69Å; A863-R866 WeakPolarHBondContact O-CB 3.32Å; A863-R866 PolarHBondContact O-N 3.19Å; A864-R866 VanDerWaalsContact C-N 3.31Å; A864-R866 PolarHBondContact O-N 3.19Å; R866-L868 VanDerWaalsContact C-N 3.35Å; R866-L868 PolarHBondContact O-N 3.09Å; R866-N869 PolarHBondContact O-N 2.91Å; R866-E870 PolarHBondContact O-N 3.2Å; R866-E870 VanDerWaalsContact O-N 3.12Å |
| 867 | A | 77.7 | Confident | 74.7 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 26% | 0.264 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L639 A863 A864 N869 E870 E871 | L639-A867 HydrophobicContact CD1-CB 3.8Å; L639-A867 HydrophobicContact CD2-CB 4.08Å; A863-A867 PolarHBondContact O-N 2.82Å; A864-A867 PolarHBondContact O-N 3.37Å; A867-N869 VanDerWaalsContact C-N 3.29Å; A867-N869 PolarHBondContact O-N 3.14Å; A867-E870 WeakPolarHBondContact O-CB 3.46Å; A867-E870 PolarHBondContact O-N 2.7Å; A867-E871 PolarHBondContact O-N 2.63Å |
| 868 | L | 79.9 | Confident | 75.4 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.5 | -46 | 177.6 | 178.9 | 68 | 0 | 0 | 0 | 111 | Y636 L639 E640 I643 A864 R866 E870 E871 Q872 | Y636-L868 HydrophobicContact CD2-CD1 3.55Å; Y636-L868 HydrophobicContact CD2-CG 4.2Å; Y636-L868 HydrophobicContact CE1-CD1 4.49Å; Y636-L868 HydrophobicContact CE2-CD1 3.49Å; Y636-L868 VanDerWaalsContact CE2-CD1 3.49Å; Y636-L868 HydrophobicContact CE2-CG 3.87Å; Y636-L868 HydrophobicContact CG-CD1 4.13Å; Y636-L868 VanDerWaalsContact O-CD1 3.27Å; Y636-L868 WeakPolarHBondContact O-CD1 3.14Å; L639-L868 HydrophobicContact CB-CB 3.89Å; L639-L868 HydrophobicContact CB-CD1 3.64Å; L639-L868 HydrophobicContact CB-CG 4.36Å; E640-L868 HydrophobicContact CB-CD1 4.44Å; I643-L868 HydrophobicContact CD1-CB 4.24Å; I643-L868 HydrophobicContact CD1-CD2 4.01Å; A864-L868 PolarHBondContact O-N 2.83Å; R866-L868 VanDerWaalsContact C-N 3.35Å; R866-L868 PolarHBondContact O-N 3.09Å; L868-E870 VanDerWaalsContact C-N 3.33Å; L868-E870 PolarHBondContact O-N 3.04Å; L868-E871 PolarHBondContact O-N 2.99Å; L868-Q872 WeakPolarHBondContact O-CB 3.3Å; L868-Q872 PolarHBondContact O-N 2.97Å |
| 869 | N | 77.7 | Confident | 75.9 | Confident | 82 Ų | 82 | 73 Ų | 73 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.1 | -27.8 | 177.3 | 170.1 | 92.9 | 0 | 0 | 0 | 113.2 | L865 R866 A867 Q873 | L865-N869 PolarHBondContact O-N 3.3Å; R866-N869 PolarHBondContact O-N 2.91Å; A867-N869 VanDerWaalsContact C-N 3.29Å; A867-N869 PolarHBondContact O-N 3.14Å; N869-Q873 PolarHBondContact ND2-NE2 2.79Å; N869-Q873 WeakPolarHBondContact O-CG 3.48Å; N869-Q873 PolarHBondContact O-N 3.3Å |
| 870 | E | 80.8 | Confident | 75.9 | Confident | 107 Ų | 107 | 74.1 Ų | 74.1 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -73.8 | -41.1 | 173.6 | -73.3 | 176.2 | -157.9 | 0 | 0 | 112.5 | R866 A867 L868 Q873 K874 | R866-E870 PolarHBondContact O-N 3.2Å; R866-E870 VanDerWaalsContact O-N 3.12Å; A867-E870 WeakPolarHBondContact O-CB 3.46Å; A867-E870 PolarHBondContact O-N 2.7Å; L868-E870 VanDerWaalsContact C-N 3.33Å; L868-E870 PolarHBondContact O-N 3.04Å; E870-Q873 PolarHBondContact O-N 2.99Å; E870-K874 PolarHBondContact O-N 3.15Å |
| 871 | E | 79.5 | Confident | 76.3 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 9% | 0.089 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.1 | -33 | 177.1 | -65.7 | -65.5 | 159.3 | 0 | 0 | 112 | R635 L639 A867 L868 Q873 K874 S875 | R635-E871 HydrophobicContact CB-CB 4.1Å; R635-E871 HydrophobicContact CB-CG 3.53Å; R635-E871 WeakPolarHBondContact CB-OE2 3.08Å; R635-E871 VanDerWaalsContact CD-CD 3.49Å; R635-E871 WeakPolarHBondContact CD-OE1 3.23Å; L639-E871 HydrophobicContact CD1-CB 4.46Å; L639-E871 HydrophobicContact CD1-CG 3.93Å; A867-E871 PolarHBondContact O-N 2.63Å; L868-E871 PolarHBondContact O-N 2.99Å; E871-Q873 PolarHBondContact O-N 2.99Å; E871-K874 PolarHBondContact O-N 2.83Å; E871-K874 IonicContact OE1-NZ 2.67Å; E871-K874 PolarHBondContact OE1-NZ 3.41Å; E871-K874 WeakPolarHBondContact OE2-CD 3.42Å; E871-K874 IonicContact OE2-NZ 3.36Å; E871-S875 WeakPolarHBondContact O-CB 3.42Å; E871-S875 PolarHBondContact O-N 3.38Å |
| 872 | Q | 77.5 | Confident | 76.5 | Confident | 100 Ų | 100 | 68.3 Ų | 68.3 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.8 | -37.3 | 169 | -162 | 176.3 | 5.2 | 0 | 0 | 112 | Y636 L868 A876 | Y636-Q872 HydrophobicContact CD2-CB 3.63Å; Y636-Q872 HydrophobicContact CD2-CG 4Å; Y636-Q872 HydrophobicContact CE2-CB 3.85Å; Y636-Q872 HydrophobicContact CE2-CG 3.86Å; L868-Q872 WeakPolarHBondContact O-CB 3.3Å; L868-Q872 PolarHBondContact O-N 2.97Å; Q872-A876 PolarHBondContact O-N 3.04Å |
| 873 | Q | 78.6 | Confident | 76.5 | Confident | 94 Ų | 94 | 68.4 Ų | 68.4 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -75.6 | -26.3 | 176.6 | -69.7 | 175.6 | 35.1 | 0 | 0 | 113.6 | N869 E870 E871 R877 | N869-Q873 PolarHBondContact ND2-NE2 2.79Å; N869-Q873 WeakPolarHBondContact O-CG 3.48Å; N869-Q873 PolarHBondContact O-N 3.3Å; E870-Q873 PolarHBondContact O-N 2.99Å; E871-Q873 PolarHBondContact O-N 2.99Å; Q873-R877 WeakPolarHBondContact O-CG 3.3Å |
| 874 | K | 78.3 | Confident | 76.4 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.9 | -44.9 | 174.2 | -64.5 | 178.1 | -148.6 | 166.3 | 0 | 110.8 | A632 E870 E871 A876 R877 Y878 | A632-K874 HydrophobicContact CB-CB 3.81Å; E870-K874 PolarHBondContact O-N 3.15Å; E871-K874 PolarHBondContact O-N 2.83Å; E871-K874 IonicContact OE1-NZ 2.67Å; E871-K874 PolarHBondContact OE1-NZ 3.41Å; E871-K874 WeakPolarHBondContact OE2-CD 3.42Å; E871-K874 IonicContact OE2-NZ 3.36Å; K874-A876 VanDerWaalsContact C-N 3.35Å; K874-A876 PolarHBondContact O-N 3.1Å; K874-R877 PolarHBondContact O-N 3.43Å; K874-Y878 HydrophobicContact CB-CE2 4.36Å; K874-Y878 WeakPolarHBondContact O-CD2 3.24Å; K874-Y878 PolarHBondContact O-N 3.4Å; K874-Y878 VanDerWaalsContact O-N 3.14Å |
| 875 | S | 73.4 | Confident | 76.5 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -46.1 | -54.7 | 170.8 | 157.4 | 0 | 0 | 0 | 0 | 112.1 | N633 E871 R877 Y878 L879 | N633-S875 PolarHBondContact ND2-OG 2.86Å; N633-S875 VanDerWaalsContact OD1-CB 3.26Å; N633-S875 WeakPolarHBondContact OD1-CB 3.21Å; N633-S875 PolarHBondContact OD1-OG 3.04Å; E871-S875 WeakPolarHBondContact O-CB 3.42Å; E871-S875 PolarHBondContact O-N 3.38Å; S875-R877 VanDerWaalsContact C-N 3.35Å; S875-R877 PolarHBondContact O-N 2.9Å; S875-Y878 PolarHBondContact O-N 3.22Å; S875-L879 PolarHBondContact O-N 3.07Å |
| 876 | A | 71.9 | Confident | 76.4 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.8 | -42.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q872 K874 Y878 L879 E880 | Q872-A876 PolarHBondContact O-N 3.04Å; K874-A876 VanDerWaalsContact C-N 3.35Å; K874-A876 PolarHBondContact O-N 3.1Å; A876-Y878 PolarHBondContact O-N 3.44Å; A876-L879 PolarHBondContact O-N 3.39Å; A876-E880 PolarHBondContact O-N 3.04Å; A876-E880 VanDerWaalsContact O-N 3.1Å |
| 877 | R | 79.8 | Confident | 75.9 | Confident | 156 Ų | 156 | 73.4 Ų | 73.4 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.8 | -35.5 | 179.7 | -67.4 | 171.8 | -168.3 | -177.6 | 5.1 | 112.9 | Q873 K874 S875 A881 | Q873-R877 WeakPolarHBondContact O-CG 3.3Å; K874-R877 PolarHBondContact O-N 3.43Å; S875-R877 VanDerWaalsContact C-N 3.35Å; S875-R877 PolarHBondContact O-N 2.9Å; R877-A881 WeakPolarHBondContact O-CB 3.45Å; R877-A881 PolarHBondContact O-N 2.61Å |
| 878 | Y | 78.1 | Confident | 75.8 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -78.2 | -27.9 | 177.3 | -67.5 | -59.1 | 0 | 0 | 0 | 112.7 | Q628 A632 K874 S875 A876 A882 | Q628-Y878 HydrophobicContact CB-CD1 3.57Å; Q628-Y878 HydrophobicContact CB-CD2 4.31Å; Q628-Y878 HydrophobicContact CB-CE1 3.44Å; Q628-Y878 VanDerWaalsContact CB-CE1 3.44Å; Q628-Y878 HydrophobicContact CB-CE2 4.18Å; Q628-Y878 HydrophobicContact CB-CG 4Å; Q628-Y878 HydrophobicContact CG-CE1 4.06Å; Q628-Y878 WeakPolarHBondContact O-CD2 3.15Å; Q628-Y878 PolarHBondContact OE1-OH 3.18Å; Q628-Y878 VanDerWaalsContact OE1-OH 3.05Å; A632-Y878 HydrophobicContact CB-CD2 3.39Å; A632-Y878 HydrophobicContact CB-CE2 3.63Å; K874-Y878 HydrophobicContact CB-CE2 4.36Å; K874-Y878 WeakPolarHBondContact O-CD2 3.24Å; K874-Y878 PolarHBondContact O-N 3.4Å; K874-Y878 VanDerWaalsContact O-N 3.14Å; S875-Y878 PolarHBondContact O-N 3.22Å; A876-Y878 PolarHBondContact O-N 3.44Å; Y878-A882 VanDerWaalsContact O-CB 3.24Å; Y878-A882 WeakPolarHBondContact O-CB 3.45Å; Y878-A882 PolarHBondContact O-N 2.8Å |
| 879 | L | 76.4 | Confident | 75.3 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 172.2 | -176.2 | 64.2 | 0 | 0 | 0 | 110.9 | L629 S875 A876 A882 Q883 | L629-L879 HydrophobicContact CD1-CB 4.07Å; L629-L879 HydrophobicContact CD2-CD1 4.07Å; S875-L879 PolarHBondContact O-N 3.07Å; A876-L879 PolarHBondContact O-N 3.39Å; L879-A882 PolarHBondContact O-N 3.37Å; L879-Q883 WeakPolarHBondContact O-CG 3.49Å; L879-Q883 PolarHBondContact O-N 3.19Å; L879-Q883 VanDerWaalsContact O-N 3.14Å |
| 880 | E | 73.5 | Confident | 75.1 | Confident | 120 Ų | 120 | 73.5 Ų | 73.5 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.2 | -50.6 | 172.1 | 179.9 | 178.4 | -160.2 | 0 | 0 | 111.5 | A876 A882 Q883 N884 | A876-E880 PolarHBondContact O-N 3.04Å; A876-E880 VanDerWaalsContact O-N 3.1Å; E880-A882 VanDerWaalsContact C-N 3.35Å; E880-A882 PolarHBondContact O-N 2.98Å; E880-Q883 PolarHBondContact O-N 3.14Å; E880-N884 PolarHBondContact O-N 2.87Å; E880-N884 PolarHBondContact O-ND2 2.97Å |
| 881 | A | 78.8 | Confident | 74.6 | Confident | 30 Ų | 30 | 70.5 Ų | 70.5 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I625 R877 Q883 N884 A885 | I625-A881 HydrophobicContact CD1-CB 4.23Å; I625-A881 HydrophobicContact CG2-CB 3.62Å; R877-A881 WeakPolarHBondContact O-CB 3.45Å; R877-A881 PolarHBondContact O-N 2.61Å; A881-Q883 VanDerWaalsContact C-N 3.33Å; A881-Q883 PolarHBondContact O-N 3.39Å; A881-N884 PolarHBondContact O-N 2.87Å; A881-A885 PolarHBondContact O-N 3.15Å; A881-A885 VanDerWaalsContact O-N 3.08Å |
| 882 | A | 73.5 | Confident | 74.2 | Confident | 17 Ų | 17 | 69.6 Ų | 69.6 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.2 | -34.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I625 L629 Y878 L879 E880 K886 | I625-A882 HydrophobicContact CG2-CB 3.95Å; L629-A882 HydrophobicContact CD2-CB 4.41Å; Y878-A882 VanDerWaalsContact O-CB 3.24Å; Y878-A882 WeakPolarHBondContact O-CB 3.45Å; Y878-A882 PolarHBondContact O-N 2.8Å; L879-A882 PolarHBondContact O-N 3.37Å; E880-A882 VanDerWaalsContact C-N 3.35Å; E880-A882 PolarHBondContact O-N 2.98Å; A882-K886 VanDerWaalsContact O-CB 3.22Å; A882-K886 WeakPolarHBondContact O-CB 3.5Å; A882-K886 PolarHBondContact O-N 3.39Å |
| 883 | Q | 70.1 | Confident | 73.9 | Confident | 106 Ų | 106 | 68.6 Ų | 68.6 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.6 | -49.6 | 173.7 | -70.8 | 168.1 | 5 | 0 | 0 | 110.5 | L879 E880 A881 A885 K886 E887 | L879-Q883 WeakPolarHBondContact O-CG 3.49Å; L879-Q883 PolarHBondContact O-N 3.19Å; L879-Q883 VanDerWaalsContact O-N 3.14Å; E880-Q883 PolarHBondContact O-N 3.14Å; A881-Q883 VanDerWaalsContact C-N 3.33Å; A881-Q883 PolarHBondContact O-N 3.39Å; Q883-A885 PolarHBondContact O-N 3.37Å; Q883-K886 WeakPolarHBondContact O-CB 3.37Å; Q883-K886 PolarHBondContact O-N 2.99Å; Q883-K886 VanDerWaalsContact O-N 3.17Å; Q883-E887 PolarHBondContact O-N 3.39Å |
| 884 | N | 74.9 | Confident | 73.4 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.3 | -48.1 | 178.3 | -64.3 | -25.7 | 0 | 0 | 0 | 112.3 | E880 A881 E887 S888 | E880-N884 PolarHBondContact O-N 2.87Å; E880-N884 PolarHBondContact O-ND2 2.97Å; A881-N884 PolarHBondContact O-N 2.87Å; N884-E887 PolarHBondContact O-N 2.74Å; N884-S888 PolarHBondContact O-N 3.23Å |
| 885 | A | 73 | Confident | 73.2 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.2 | -35.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E621 I622 I625 A881 Q883 S888 A889 | E621-A885 HydrophobicContact CG-CB 4.02Å; I622-A885 HydrophobicContact CG1-CB 3.71Å; I625-A885 HydrophobicContact CD1-CB 3.74Å; A881-A885 PolarHBondContact O-N 3.15Å; A881-A885 VanDerWaalsContact O-N 3.08Å; Q883-A885 PolarHBondContact O-N 3.37Å; A885-S888 CarbonylContact O-C 3.49Å; A885-S888 WeakPolarHBondContact O-CB 3.42Å; A885-S888 PolarHBondContact O-N 2.63Å; A885-A889 PolarHBondContact O-N 2.69Å |
| 886 | K | 73.1 | Confident | 73 | Confident | 146 Ų | 146 | 67.9 Ų | 67.9 | 64% | 0.635 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 174.2 | -175.5 | -178.8 | 177.6 | -174.5 | 0 | 112.3 | I622 A882 Q883 S888 A889 H890 | I622-K886 HydrophobicContact CD1-CB 4.41Å; A882-K886 VanDerWaalsContact O-CB 3.22Å; A882-K886 WeakPolarHBondContact O-CB 3.5Å; A882-K886 PolarHBondContact O-N 3.39Å; Q883-K886 WeakPolarHBondContact O-CB 3.37Å; Q883-K886 PolarHBondContact O-N 2.99Å; Q883-K886 VanDerWaalsContact O-N 3.17Å; K886-S888 VanDerWaalsContact C-N 3.34Å; K886-A889 PolarHBondContact O-N 3.09Å; K886-H890 PolarHBondContact O-N 2.68Å; K886-H890 VanDerWaalsContact O-N 3.1Å |
| 887 | E | 67.7 | Low | 72.9 | Confident | 135 Ų | 135 | 68 Ų | 68 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 172.9 | -70.7 | -175.3 | -172.2 | 0 | 0 | 110.8 | Q883 N884 A889 H890 A891 | Q883-E887 PolarHBondContact O-N 3.39Å; N884-E887 PolarHBondContact O-N 2.74Å; E887-A889 VanDerWaalsContact C-N 3.35Å; E887-A889 PolarHBondContact O-N 3.45Å; E887-H890 PolarHBondContact O-N 3.49Å; E887-A891 WeakPolarHBondContact O-CB 3.07Å; E887-A891 PolarHBondContact O-N 2.99Å |
| 888 | S | 75.2 | Confident | 72.4 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 173.9 | -155 | 0 | 0 | 0 | 0 | 112.7 | H618 N884 A885 K886 H890 A892 | H618-S888 PolarHBondContact CE1-OG 2.9Å; H618-S888 VanDerWaalsContact ND1-C 3.35Å; H618-S888 PolarHBondContact ND1-O 2.82Å; H618-S888 PolarHBondContact ND1-OG 2.92Å; H618-S888 PolarHBondContact NE2-OG 2.85Å; N884-S888 PolarHBondContact O-N 3.23Å; A885-S888 CarbonylContact O-C 3.49Å; A885-S888 WeakPolarHBondContact O-CB 3.42Å; A885-S888 PolarHBondContact O-N 2.63Å; K886-S888 VanDerWaalsContact C-N 3.34Å; S888-H890 PolarHBondContact O-N 2.96Å; S888-A892 WeakPolarHBondContact O-CB 3.47Å; S888-A892 PolarHBondContact O-N 3.4Å |
| 889 | A | 70.4 | Confident | 72 | Confident | 7 Ų | 7 | 60 Ų | 60 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -75.3 | -17.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | H618 I622 A885 K886 E887 A892 T893 | H618-A889 HydrophobicContact CB-CB 3.93Å; I622-A889 HydrophobicContact CD1-CB 3.25Å; I622-A889 HydrophobicContact CG1-CB 4.45Å; A885-A889 PolarHBondContact O-N 2.69Å; K886-A889 PolarHBondContact O-N 3.09Å; E887-A889 VanDerWaalsContact C-N 3.35Å; E887-A889 PolarHBondContact O-N 3.45Å; A889-A892 CarbonylContact O-C 2.72Å; A889-A892 VanDerWaalsContact O-CB 3.27Å; A889-A892 WeakPolarHBondContact O-CB 3.45Å; A889-T893 PolarHBondContact O-N 2.76Å; A889-T893 PolarHBondContact O-OG1 3.27Å |
| 890 | H | 72 | Confident | 71.5 | Confident | 94 Ų | 94 | 60 Ų | 60 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -98.4 | -33.7 | 174.8 | 175.3 | -102.1 | 0 | 0 | 0 | 113.5 | K886 E887 S888 A892 Q894 | K886-H890 PolarHBondContact O-N 2.68Å; K886-H890 VanDerWaalsContact O-N 3.1Å; E887-H890 PolarHBondContact O-N 3.49Å; S888-H890 PolarHBondContact O-N 2.96Å; H890-A892 CarbonylContact C-O 3.52Å; H890-A892 CarbonylContact O-C 3.54Å; H890-A892 PolarHBondContact O-N 2.95Å; H890-Q894 PolarHBondContact NE2-NE2 2.78Å |
| 891 | A | 70.4 | Confident | 71.3 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.2 | -20.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E887 S1418 N1419 | E887-A891 WeakPolarHBondContact O-CB 3.07Å; E887-A891 PolarHBondContact O-N 2.99Å; A891-S1418 WeakPolarHBondContact O-CA 3.02Å; A891-S1418 WeakPolarHBondContact O-CB 3.37Å; A891-S1418 PolarHBondContact O-OG 3.43Å; A891-N1419 PolarHBondContact O-ND2 3.28Å |
| 892 | A | 70.6 | Confident | 70.9 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73 | -130.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S615 S888 A889 H890 Q894 N1416 T1417 S1418 | S615-A892 WeakPolarHBondContact OG-CB 3.31Å; S888-A892 WeakPolarHBondContact O-CB 3.47Å; S888-A892 PolarHBondContact O-N 3.4Å; A889-A892 CarbonylContact O-C 2.72Å; A889-A892 VanDerWaalsContact O-CB 3.27Å; A889-A892 WeakPolarHBondContact O-CB 3.45Å; H890-A892 CarbonylContact C-O 3.52Å; H890-A892 CarbonylContact O-C 3.54Å; H890-A892 PolarHBondContact O-N 2.95Å; A892-Q894 VanDerWaalsContact O-CB 3.32Å; A892-Q894 WeakPolarHBondContact O-CB 3.31Å; A892-Q894 PolarHBondContact O-N 3.37Å; A892-N1416 WeakPolarHBondContact CB-OD1 3.33Å; A892-T1417 WeakPolarHBondContact CA-OG1 3.33Å; A892-T1417 WeakPolarHBondContact CB-OG1 3.07Å; A892-S1418 VanDerWaalsContact C-N 3.35Å; A892-S1418 WeakPolarHBondContact O-CA 3.23Å; A892-S1418 PolarHBondContact O-N 2.72Å |
| 893 | T | 71.4 | Confident | 70.8 | Confident | 79 Ų | 79 | 59.9 Ų | 59.9 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 43.1 | -30 | -168.9 | -60.4 | 0 | 0 | 0 | 0 | 121.4 | A889 T1417 | A889-T893 PolarHBondContact O-N 2.76Å; A889-T893 PolarHBondContact O-OG1 3.27Å; T893-T1417 VanDerWaalsContact CA-CG2 3.4Å; T893-T1417 PolarHBondContact N-OG1 3.21Å |
| 894 | Q | 69.8 | Low | 70.8 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -136.7 | -7.8 | -133.6 | -169 | 179.5 | 90.3 | 0 | 0 | 118 | H890 A892 A897 C898 S1418 N1419 K1420 | H890-Q894 PolarHBondContact NE2-NE2 2.78Å; A892-Q894 VanDerWaalsContact O-CB 3.32Å; A892-Q894 WeakPolarHBondContact O-CB 3.31Å; A892-Q894 PolarHBondContact O-N 3.37Å; Q894-A897 WeakPolarHBondContact O-CB 3.22Å; Q894-C898 PolarHBondContact O-N 2.99Å; Q894-S1418 VanDerWaalsContact C-C 3.42Å; Q894-N1419 CarbonylContact C-O 3.31Å; Q894-N1419 CarbonylContact O-C 3.55Å; Q894-K1420 VanDerWaalsContact OE1-CG 3.23Å |
| 895 | R | 72.4 | Confident | 70.5 | Confident | 101 Ų | 101 | 57.8 Ų | 57.8 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -81.5 | -20.4 | 151.6 | -34.4 | 170.7 | -135.5 | 92.1 | -14.5 | 110.2 | A897 C898 A899 N1416 T1417 S1418 N1419 | R895-A897 CarbonylContact O-C 3.57Å; R895-A897 PolarHBondContact O-N 3.46Å; R895-C898 VanDerWaalsContact C-N 3.34Å; R895-C898 HydrophobicContact CB-CB 4.27Å; R895-C898 CarbonylContact O-C 3.21Å; R895-C898 PolarHBondContact O-N 2.86Å; R895-A899 VanDerWaalsContact O-CB 3.31Å; R895-A899 WeakPolarHBondContact O-CB 3.43Å; R895-A899 PolarHBondContact O-N 3.29Å; R895-N1416 PolarHBondContact NH1-O 2.97Å; R895-T1417 CarbonylContact C-O 3.48Å; R895-T1417 WeakPolarHBondContact CA-O 3.24Å; R895-T1417 WeakPolarHBondContact CB-O 3.32Å; R895-T1417 WeakPolarHBondContact CG-O 3.29Å; R895-T1417 PolarHBondContact N-O 3.2Å; R895-T1417 PolarHBondContact NH1-O 3.34Å; R895-S1418 WeakPolarHBondContact CG-O 3.17Å; R895-S1418 VanDerWaalsContact N-CA 3.28Å; R895-S1418 PolarHBondContact N-O 2.89Å; R895-N1419 VanDerWaalsContact N-N 3.19Å |
| 896 | A | 70.2 | Confident | 70.4 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -53.5 | -37.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | L608 S900 T1417 | L608-A896 HydrophobicContact CD1-CB 4.49Å; A896-S900 WeakPolarHBondContact O-CB 3.36Å; A896-S900 PolarHBondContact O-N 3.44Å; A896-S900 VanDerWaalsContact O-N 3.12Å; A896-T1417 HydrophobicContact CB-CG2 4.11Å; A896-T1417 PolarHBondContact N-O 2.84Å |
| 897 | A | 69.9 | Low | 70.3 | Confident | 58 Ų | 58 | 58.4 Ų | 58.4 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.1 | -48.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q894 R895 S901 | Q894-A897 WeakPolarHBondContact O-CB 3.22Å; R895-A897 CarbonylContact O-C 3.57Å; R895-A897 PolarHBondContact O-N 3.46Å; A897-S901 VanDerWaalsContact O-CB 3.25Å; A897-S901 WeakPolarHBondContact O-CB 3.26Å; A897-S901 PolarHBondContact O-N 3.05Å |
| 898 | C | 69.2 | Low | 70.5 | Confident | 53 Ų | 53 | 56 Ų | 56 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.6 | -53.2 | 179.2 | -67.2 | 0 | 0 | 0 | 0 | 114.7 | Q894 R895 S900 S901 E902 N1419 | Q894-C898 PolarHBondContact O-N 2.99Å; R895-C898 VanDerWaalsContact C-N 3.34Å; R895-C898 HydrophobicContact CB-CB 4.27Å; R895-C898 CarbonylContact O-C 3.21Å; R895-C898 PolarHBondContact O-N 2.86Å; C898-S900 VanDerWaalsContact C-N 3.33Å; C898-S900 PolarHBondContact O-N 3.05Å; C898-S901 CarbonylContact O-C 3.47Å; C898-S901 WeakPolarHBondContact O-CA 2.84Å; C898-S901 VanDerWaalsContact O-CB 3.28Å; C898-S901 WeakPolarHBondContact O-CB 3.13Å; C898-S901 PolarHBondContact O-N 2.91Å; C898-E902 WeakPolarHBondContact O-CG 3.48Å; C898-E902 PolarHBondContact O-N 3.29Å; C898-N1419 PolarHBondContact SG-O 2.98Å |
| 899 | A | 68.6 | Low | 70.2 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L608 R895 S901 E902 V903 | L608-A899 HydrophobicContact CB-CB 4.17Å; L608-A899 HydrophobicContact CD1-CB 4.25Å; R895-A899 VanDerWaalsContact O-CB 3.31Å; R895-A899 WeakPolarHBondContact O-CB 3.43Å; R895-A899 PolarHBondContact O-N 3.29Å; A899-S901 VanDerWaalsContact C-N 3.35Å; A899-E902 PolarHBondContact O-N 2.85Å; A899-V903 WeakPolarHBondContact O-CB 3.26Å; A899-V903 VanDerWaalsContact O-CG2 3.27Å; A899-V903 WeakPolarHBondContact O-CG2 3.38Å; A899-V903 PolarHBondContact O-N 3.1Å |
| 900 | S | 66.6 | Low | 70 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 42% | 0.42 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66 | -36.3 | 171.6 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | A896 C898 V903 A904 | A896-S900 WeakPolarHBondContact O-CB 3.36Å; A896-S900 PolarHBondContact O-N 3.44Å; A896-S900 VanDerWaalsContact O-N 3.12Å; C898-S900 VanDerWaalsContact C-N 3.33Å; C898-S900 PolarHBondContact O-N 3.05Å; S900-V903 PolarHBondContact O-N 3.46Å; S900-A904 VanDerWaalsContact O-CB 3.22Å; S900-A904 WeakPolarHBondContact O-CB 3.31Å; S900-A904 PolarHBondContact O-N 2.67Å |
| 901 | S | 70.2 | Confident | 69.8 | Low | 55 Ų | 55 | 61.2 Ų | 61.2 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 171.9 | -174 | 0 | 0 | 0 | 0 | 111.9 | A897 C898 A899 A904 Q905 | A897-S901 VanDerWaalsContact O-CB 3.25Å; A897-S901 WeakPolarHBondContact O-CB 3.26Å; A897-S901 PolarHBondContact O-N 3.05Å; C898-S901 CarbonylContact O-C 3.47Å; C898-S901 WeakPolarHBondContact O-CA 2.84Å; C898-S901 VanDerWaalsContact O-CB 3.28Å; C898-S901 WeakPolarHBondContact O-CB 3.13Å; C898-S901 PolarHBondContact O-N 2.91Å; A899-S901 VanDerWaalsContact C-N 3.35Å; S901-A904 PolarHBondContact O-N 2.89Å; S901-Q905 WeakPolarHBondContact O-CB 3.43Å; S901-Q905 VanDerWaalsContact O-CG 3.28Å; S901-Q905 WeakPolarHBondContact O-CG 3.23Å; S901-Q905 PolarHBondContact O-N 2.79Å; S901-Q905 PolarHBondContact OG-NE2 2.96Å |
| 902 | E | 70.3 | Confident | 69.8 | Low | 94 Ų | 94 | 66.5 Ų | 66.5 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 176.4 | -70.3 | 177.7 | 167 | 0 | 0 | 111.7 | L604 C898 A899 Q905 L906 | L604-E902 HydrophobicContact CD1-CB 4.02Å; L604-E902 HydrophobicContact CD2-CB 4.22Å; L604-E902 VanDerWaalsContact CD2-OE2 3.23Å; L604-E902 WeakPolarHBondContact CD2-OE2 3.12Å; C898-E902 WeakPolarHBondContact O-CG 3.48Å; C898-E902 PolarHBondContact O-N 3.29Å; A899-E902 PolarHBondContact O-N 2.85Å; E902-Q905 PolarHBondContact O-N 2.82Å; E902-L906 WeakPolarHBondContact O-CB 3.25Å; E902-L906 WeakPolarHBondContact O-CG 3.16Å; E902-L906 PolarHBondContact O-N 3.17Å |
| 903 | V | 70 | Confident | 69.6 | Low | 15 Ų | 15 | 70.3 Ų | 70.3 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 171.2 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | L601 L604 A899 S900 R907 | L601-V903 HydrophobicContact CD2-CG1 4.45Å; L604-V903 HydrophobicContact CB-CG2 3.81Å; A899-V903 WeakPolarHBondContact O-CB 3.26Å; A899-V903 VanDerWaalsContact O-CG2 3.27Å; A899-V903 WeakPolarHBondContact O-CG2 3.38Å; A899-V903 PolarHBondContact O-N 3.1Å; S900-V903 PolarHBondContact O-N 3.46Å; V903-R907 WeakPolarHBondContact O-CB 3.49Å; V903-R907 VanDerWaalsContact O-CG 3.31Å; V903-R907 WeakPolarHBondContact O-CG 3.32Å; V903-R907 PolarHBondContact O-N 2.3Å |
| 904 | A | 70 | Confident | 69.4 | Low | 42 Ų | 42 | 68.9 Ų | 68.9 | 35% | 0.347 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S900 S901 R907 I908 | S900-A904 VanDerWaalsContact O-CB 3.22Å; S900-A904 WeakPolarHBondContact O-CB 3.31Å; S900-A904 PolarHBondContact O-N 2.67Å; S901-A904 PolarHBondContact O-N 2.89Å; A904-R907 PolarHBondContact O-N 3.48Å; A904-I908 WeakPolarHBondContact O-CG1 3.43Å; A904-I908 PolarHBondContact O-N 3.21Å |
| 905 | Q | 69.6 | Low | 69.4 | Low | 122 Ų | 122 | 71.5 Ų | 71.5 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.1 | -46.8 | 175 | -74.5 | 177.6 | 40.5 | 0 | 0 | 111.2 | S901 E902 R907 I908 E909 | S901-Q905 WeakPolarHBondContact O-CB 3.43Å; S901-Q905 VanDerWaalsContact O-CG 3.28Å; S901-Q905 WeakPolarHBondContact O-CG 3.23Å; S901-Q905 PolarHBondContact O-N 2.79Å; S901-Q905 PolarHBondContact OG-NE2 2.96Å; E902-Q905 PolarHBondContact O-N 2.82Å; Q905-R907 VanDerWaalsContact C-N 3.33Å; Q905-R907 PolarHBondContact O-N 3.2Å; Q905-I908 PolarHBondContact O-N 3.39Å; Q905-E909 WeakPolarHBondContact O-CB 3.18Å; Q905-E909 PolarHBondContact O-N 3.38Å |
| 906 | L | 70.4 | Confident | 69.2 | Low | 37 Ų | 37 | 69.3 Ų | 69.3 | 19% | 0.194 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -36 | 176.6 | -73.5 | 175.7 | 0 | 0 | 0 | 112.9 | Q600 L601 L604 E902 E909 L910 | Q600-L906 HydrophobicContact CB-CD1 4.2Å; L601-L906 HydrophobicContact CD2-CB 3.92Å; L601-L906 HydrophobicContact CD2-CD1 4.17Å; L601-L906 HydrophobicContact CG-CB 4.42Å; L601-L906 HydrophobicContact CG-CD1 4.33Å; L604-L906 HydrophobicContact CD1-CD1 3.4Å; L604-L906 VanDerWaalsContact CD1-CD1 3.4Å; E902-L906 WeakPolarHBondContact O-CB 3.25Å; E902-L906 WeakPolarHBondContact O-CG 3.16Å; E902-L906 PolarHBondContact O-N 3.17Å; L906-E909 PolarHBondContact O-N 1.99Å; L906-L910 WeakPolarHBondContact O-CB 2.92Å; L906-L910 PolarHBondContact O-N 3.21Å |
| 907 | R | 70.5 | Confident | 68.9 | Low | 125 Ų | 125 | 74.8 Ų | 74.8 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 171.9 | -77.2 | 174.7 | -179 | -120.6 | 8.8 | 111.8 | V903 A904 Q905 E909 L910 E911 | V903-R907 WeakPolarHBondContact O-CB 3.49Å; V903-R907 VanDerWaalsContact O-CG 3.31Å; V903-R907 WeakPolarHBondContact O-CG 3.32Å; V903-R907 PolarHBondContact O-N 2.3Å; A904-R907 PolarHBondContact O-N 3.48Å; Q905-R907 VanDerWaalsContact C-N 3.33Å; Q905-R907 PolarHBondContact O-N 3.2Å; R907-E909 VanDerWaalsContact C-N 3.31Å; R907-E909 PolarHBondContact O-N 2.89Å; R907-L910 PolarHBondContact O-N 3.38Å; R907-E911 WeakPolarHBondContact O-CB 3.47Å; R907-E911 PolarHBondContact O-N 3.25Å |
| 908 | I | 73.1 | Confident | 68.8 | Low | 86 Ų | 86 | 79.7 Ų | 79.7 | 44% | 0.441 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 178 | -70.1 | 166 | 0 | 0 | 0 | 110.6 | A904 Q905 E911 R912 | A904-I908 WeakPolarHBondContact O-CG1 3.43Å; A904-I908 PolarHBondContact O-N 3.21Å; Q905-I908 PolarHBondContact O-N 3.39Å; I908-E911 PolarHBondContact O-N 2.83Å; I908-R912 HydrophobicContact CG2-CG 4.43Å; I908-R912 WeakPolarHBondContact O-CB 3.06Å; I908-R912 WeakPolarHBondContact O-CD 3.19Å; I908-R912 WeakPolarHBondContact O-CG 3.33Å; I908-R912 PolarHBondContact O-N 2.86Å |
| 909 | E | 67.6 | Low | 68.8 | Low | 93 Ų | 93 | 83.2 Ų | 83.2 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.4 | -42 | 179.9 | -152.5 | 69.5 | 172.9 | 0 | 0 | 111.8 | Q905 L906 R907 E911 R912 M913 | Q905-E909 WeakPolarHBondContact O-CB 3.18Å; Q905-E909 PolarHBondContact O-N 3.38Å; L906-E909 PolarHBondContact O-N 1.99Å; R907-E909 VanDerWaalsContact C-N 3.31Å; R907-E909 PolarHBondContact O-N 2.89Å; E909-E911 PolarHBondContact O-N 2.83Å; E909-R912 PolarHBondContact O-N 2.76Å; E909-R912 WeakPolarHBondContact OE2-CD 3.28Å; E909-R912 IonicContact OE2-CZ 2.73Å; E909-R912 IonicContact OE2-NH1 3.6Å; E909-R912 PolarHBondContact OE2-NH1 3.29Å; E909-M913 WeakPolarHBondContact O-CB 3.23Å; E909-M913 WeakPolarHBondContact O-CG 3.4Å; E909-M913 PolarHBondContact O-N 2.83Å |
| 910 | L | 66.3 | Low | 68.6 | Low | 40 Ų | 40 | 87.6 Ų | 87.6 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 173.3 | -176.3 | 64.5 | 0 | 0 | 0 | 112 | L601 L906 R907 M913 T914 | L601-L910 HydrophobicContact CD1-CD2 4.42Å; L906-L910 WeakPolarHBondContact O-CB 2.92Å; L906-L910 PolarHBondContact O-N 3.21Å; R907-L910 PolarHBondContact O-N 3.38Å; L910-M913 HydrophobicContact CD1-CE 4.45Å; L910-M913 PolarHBondContact O-N 3.35Å; L910-T914 WeakPolarHBondContact O-CB 3.4Å; L910-T914 PolarHBondContact O-N 2.79Å; L910-T914 PolarHBondContact O-OG1 3.04Å |
| 911 | E | 68.7 | Low | 68.6 | Low | 118 Ų | 118 | 89.4 Ų | 89.4 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -71.8 | -37.7 | 177.7 | -173.2 | 162.7 | -165.4 | 0 | 0 | 112.1 | R907 I908 E909 T914 Q915 | R907-E911 WeakPolarHBondContact O-CB 3.47Å; R907-E911 PolarHBondContact O-N 3.25Å; I908-E911 PolarHBondContact O-N 2.83Å; E909-E911 PolarHBondContact O-N 2.83Å; E911-T914 PolarHBondContact O-N 2.7Å; E911-Q915 HydrophobicContact CG-CG 4.41Å; E911-Q915 WeakPolarHBondContact O-CB 3.42Å; E911-Q915 WeakPolarHBondContact O-CG 3.33Å; E911-Q915 PolarHBondContact O-N 2.78Å |
| 912 | R | 71 | Confident | 68.5 | Low | 154 Ų | 154 | 91.3 Ų | 91.3 | 58% | 0.581 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.2 | -47.3 | 169.8 | -78.6 | 167.8 | 176.4 | 169.3 | -0.6 | 111.7 | I908 E909 T914 Q915 A916 | I908-R912 HydrophobicContact CG2-CG 4.43Å; I908-R912 WeakPolarHBondContact O-CB 3.06Å; I908-R912 WeakPolarHBondContact O-CD 3.19Å; I908-R912 WeakPolarHBondContact O-CG 3.33Å; I908-R912 PolarHBondContact O-N 2.86Å; E909-R912 PolarHBondContact O-N 2.76Å; E909-R912 WeakPolarHBondContact OE2-CD 3.28Å; E909-R912 IonicContact OE2-CZ 2.73Å; E909-R912 IonicContact OE2-NH1 3.6Å; E909-R912 PolarHBondContact OE2-NH1 3.29Å; R912-T914 VanDerWaalsContact C-N 3.32Å; R912-T914 PolarHBondContact O-N 3.31Å; R912-Q915 PolarHBondContact O-N 3.35Å; R912-A916 VanDerWaalsContact O-CB 3.26Å; R912-A916 WeakPolarHBondContact O-CB 3.21Å; R912-A916 PolarHBondContact O-N 3.09Å |
| 913 | M | 66 | Low | 68.4 | Low | 82 Ų | 82 | 92.1 Ų | 92.1 | 40% | 0.404 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 175.7 | -74.4 | -169.6 | -69.5 | 0 | 0 | 111.1 | E909 L910 A916 Y917 | E909-M913 WeakPolarHBondContact O-CB 3.23Å; E909-M913 WeakPolarHBondContact O-CG 3.4Å; E909-M913 PolarHBondContact O-N 2.83Å; L910-M913 HydrophobicContact CD1-CE 4.45Å; L910-M913 PolarHBondContact O-N 3.35Å; M913-A916 PolarHBondContact O-N 3.29Å; M913-Y917 VanDerWaalsContact O-CB 3.3Å; M913-Y917 WeakPolarHBondContact O-CB 3.45Å; M913-Y917 PolarHBondContact O-N 3.23Å |
| 914 | T | 66.8 | Low | 67.8 | Low | 49 Ų | 49 | 94.9 Ų | 94.9 | 30% | 0.301 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | L910 E911 R912 Y917 R918 | L910-T914 WeakPolarHBondContact O-CB 3.4Å; L910-T914 PolarHBondContact O-N 2.79Å; L910-T914 PolarHBondContact O-OG1 3.04Å; E911-T914 PolarHBondContact O-N 2.7Å; R912-T914 VanDerWaalsContact C-N 3.32Å; R912-T914 PolarHBondContact O-N 3.31Å; T914-Y917 PolarHBondContact O-N 3.43Å; T914-R918 WeakPolarHBondContact O-CG 3.47Å; T914-R918 PolarHBondContact O-N 3.36Å |
| 915 | Q | 70.2 | Confident | 67.3 | Low | 90 Ų | 90 | 95.2 Ų | 95.2 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69 | -37.6 | 176.5 | -71.8 | -171.4 | 24 | 0 | 0 | 112.4 | E911 R912 K919 | E911-Q915 HydrophobicContact CG-CG 4.41Å; E911-Q915 WeakPolarHBondContact O-CB 3.42Å; E911-Q915 WeakPolarHBondContact O-CG 3.33Å; E911-Q915 PolarHBondContact O-N 2.78Å; R912-Q915 PolarHBondContact O-N 3.35Å; Q915-K919 WeakPolarHBondContact O-CB 3.4Å; Q915-K919 WeakPolarHBondContact O-CG 3.47Å; Q915-K919 PolarHBondContact O-N 2.86Å |
| 916 | A | 67.5 | Low | 67.1 | Low | 55 Ų | 55 | 92.1 Ų | 92.1 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | R912 M913 K919 E920 | R912-A916 VanDerWaalsContact O-CB 3.26Å; R912-A916 WeakPolarHBondContact O-CB 3.21Å; R912-A916 PolarHBondContact O-N 3.09Å; M913-A916 PolarHBondContact O-N 3.29Å; A916-K919 PolarHBondContact O-N 3.15Å; A916-E920 PolarHBondContact O-N 3.37Å |
| 917 | Y | 65.5 | Low | 66.6 | Low | 137 Ų | 137 | 94.2 Ų | 94.2 | 54% | 0.537 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 176.2 | -176 | -105.1 | 0 | 0 | 0 | 112.2 | M913 T914 K919 E920 Q921 | M913-Y917 VanDerWaalsContact O-CB 3.3Å; M913-Y917 WeakPolarHBondContact O-CB 3.45Å; M913-Y917 PolarHBondContact O-N 3.23Å; T914-Y917 PolarHBondContact O-N 3.43Å; Y917-K919 PolarHBondContact O-N 3.02Å; Y917-E920 PolarHBondContact O-N 3.3Å; Y917-Q921 HydrophobicContact CD1-CG 4.39Å; Y917-Q921 VanDerWaalsContact CE1-CD 3.49Å; Y917-Q921 HydrophobicContact CE1-CG 4.07Å; Y917-Q921 WeakPolarHBondContact O-CG 3.24Å; Y917-Q921 PolarHBondContact O-N 3.14Å; Y917-Q921 PolarHBondContact OH-NE2 2.95Å |
| 918 | R | 66.5 | Low | 66 | Low | 162 Ų | 162 | 92.3 Ų | 92.3 | 61% | 0.611 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.9 | -38.1 | 174 | -72.6 | 177 | -179.8 | 169.4 | 2.2 | 112.9 | T914 T922 | T914-R918 WeakPolarHBondContact O-CG 3.47Å; T914-R918 PolarHBondContact O-N 3.36Å; R918-T922 PolarHBondContact O-N 3.25Å; R918-T922 VanDerWaalsContact O-N 3.09Å; R918-T922 PolarHBondContact O-OG1 3.07Å |
| 919 | K | 69.9 | Low | 65.5 | Low | 127 Ų | 127 | 93.2 Ų | 93.2 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.2 | -37 | 174.7 | -79.4 | 172.9 | 178.2 | 168.6 | 0 | 112.1 | Q915 A916 Y917 T922 K923 | Q915-K919 WeakPolarHBondContact O-CB 3.4Å; Q915-K919 WeakPolarHBondContact O-CG 3.47Å; Q915-K919 PolarHBondContact O-N 2.86Å; A916-K919 PolarHBondContact O-N 3.15Å; Y917-K919 PolarHBondContact O-N 3.02Å; K919-T922 WeakPolarHBondContact CA-OG1 3.21Å; K919-T922 PolarHBondContact O-OG1 3.36Å; K919-K923 WeakPolarHBondContact O-CG 3.14Å; K919-K923 PolarHBondContact O-N 3.24Å; K919-K923 VanDerWaalsContact O-N 3.11Å |
| 920 | E | 64.9 | Low | 65.1 | Low | 96 Ų | 96 | 95.3 Ų | 95.3 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.1 | -38.7 | 177.2 | -140.2 | 62.8 | -155.2 | 0 | 0 | 111.9 | A916 Y917 T922 K923 C924 | A916-E920 PolarHBondContact O-N 3.37Å; Y917-E920 PolarHBondContact O-N 3.3Å; E920-T922 VanDerWaalsContact C-N 3.31Å; E920-T922 PolarHBondContact O-N 3.02Å; E920-K923 PolarHBondContact O-N 2.94Å; E920-K923 WeakPolarHBondContact OE1-CD 3.3Å; E920-K923 IonicContact OE1-NZ 2.71Å; E920-K923 PolarHBondContact OE1-NZ 3.12Å; E920-K923 WeakPolarHBondContact OE2-CE 3.33Å; E920-K923 IonicContact OE2-NZ 2.79Å; E920-K923 PolarHBondContact OE2-NZ 3.3Å; E920-C924 WeakPolarHBondContact O-CB 3.48Å; E920-C924 PolarHBondContact O-N 2.97Å; E920-C924 PolarHBondContact O-SG 3.41Å |
| 921 | Q | 65 | Low | 64.5 | Low | 99 Ų | 99 | 98 Ų | 98 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -54.2 | -46.3 | 170.1 | -79.1 | -172.9 | -29.1 | 0 | 0 | 111.9 | Y917 C924 A925 | Y917-Q921 HydrophobicContact CD1-CG 4.39Å; Y917-Q921 VanDerWaalsContact CE1-CD 3.49Å; Y917-Q921 HydrophobicContact CE1-CG 4.07Å; Y917-Q921 WeakPolarHBondContact O-CG 3.24Å; Y917-Q921 PolarHBondContact O-N 3.14Å; Y917-Q921 PolarHBondContact OH-NE2 2.95Å; Q921-C924 PolarHBondContact O-N 2.83Å; Q921-A925 WeakPolarHBondContact O-CB 3.4Å; Q921-A925 PolarHBondContact O-N 3.38Å |
| 922 | T | 69.1 | Low | 64 | Low | 94 Ų | 94 | 96.3 Ų | 96.3 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.9 | -36.3 | 179.1 | 43.7 | 0 | 0 | 0 | 0 | 113 | R918 K919 E920 A926 | R918-T922 PolarHBondContact O-N 3.25Å; R918-T922 VanDerWaalsContact O-N 3.09Å; R918-T922 PolarHBondContact O-OG1 3.07Å; K919-T922 WeakPolarHBondContact CA-OG1 3.21Å; K919-T922 PolarHBondContact O-OG1 3.36Å; E920-T922 VanDerWaalsContact C-N 3.31Å; E920-T922 PolarHBondContact O-N 3.02Å; T922-A926 WeakPolarHBondContact O-CB 3.33Å; T922-A926 PolarHBondContact O-N 3.45Å |
| 923 | K | 68 | Low | 63.2 | Low | 111 Ų | 111 | 95.5 Ų | 95.5 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 169.4 | -71.5 | 178.1 | -153.5 | 161.6 | 0 | 112.3 | K919 E920 A926 T927 | K919-K923 WeakPolarHBondContact O-CG 3.14Å; K919-K923 PolarHBondContact O-N 3.24Å; K919-K923 VanDerWaalsContact O-N 3.11Å; E920-K923 PolarHBondContact O-N 2.94Å; E920-K923 WeakPolarHBondContact OE1-CD 3.3Å; E920-K923 IonicContact OE1-NZ 2.71Å; E920-K923 PolarHBondContact OE1-NZ 3.12Å; E920-K923 WeakPolarHBondContact OE2-CE 3.33Å; E920-K923 IonicContact OE2-NZ 2.79Å; E920-K923 PolarHBondContact OE2-NZ 3.3Å; K923-A926 PolarHBondContact O-N 3.24Å; K923-T927 VanDerWaalsContact O-CB 3.3Å; K923-T927 WeakPolarHBondContact O-CB 3.41Å; K923-T927 PolarHBondContact O-N 3.17Å; K923-T927 PolarHBondContact O-OG1 3.43Å |
| 924 | C | 56.5 | Low | 62.6 | Low | 73 Ų | 73 | 94.9 Ų | 94.9 | 49% | 0.493 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 178 | -74 | 0 | 0 | 0 | 0 | 110.7 | E920 Q921 A926 T927 V928 | E920-C924 WeakPolarHBondContact O-CB 3.48Å; E920-C924 PolarHBondContact O-N 2.97Å; E920-C924 PolarHBondContact O-SG 3.41Å; Q921-C924 PolarHBondContact O-N 2.83Å; C924-A926 PolarHBondContact O-N 3.2Å; C924-T927 PolarHBondContact O-N 3.44Å; C924-V928 WeakPolarHBondContact O-CB 3.22Å; C924-V928 VanDerWaalsContact O-CG2 3.31Å; C924-V928 WeakPolarHBondContact O-CG2 3.34Å; C924-V928 PolarHBondContact O-N 2.63Å |
| 925 | A | 60.4 | Low | 61.7 | Low | 50 Ų | 50 | 99.8 Ų | 99.8 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q921 T927 V928 N929 | Q921-A925 WeakPolarHBondContact O-CB 3.4Å; Q921-A925 PolarHBondContact O-N 3.38Å; A925-T927 VanDerWaalsContact C-N 3.32Å; A925-T927 PolarHBondContact O-N 3.45Å; A925-V928 PolarHBondContact O-N 2.82Å; A925-N929 WeakPolarHBondContact O-CB 3.31Å; A925-N929 VanDerWaalsContact O-CG 3.23Å; A925-N929 PolarHBondContact O-N 3.12Å; A925-N929 PolarHBondContact O-OD1 3.26Å |
| 926 | A | 65.7 | Low | 60.8 | Low | 57 Ų | 57 | 98.9 Ų | 98.9 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T922 K923 C924 K930 | T922-A926 WeakPolarHBondContact O-CB 3.33Å; T922-A926 PolarHBondContact O-N 3.45Å; K923-A926 PolarHBondContact O-N 3.24Å; C924-A926 PolarHBondContact O-N 3.2Å; A926-K930 VanDerWaalsContact O-CB 3.31Å; A926-K930 WeakPolarHBondContact O-CB 3.16Å; A926-K930 PolarHBondContact O-N 2.81Å |
| 927 | T | 60.4 | Low | 59.9 | Low | 81 Ų | 81 | 99.6 Ų | 99.6 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.8 | -40.9 | 178.6 | -55 | 0 | 0 | 0 | 0 | 111.5 | K923 C924 A925 K930 L931 | K923-T927 VanDerWaalsContact O-CB 3.3Å; K923-T927 WeakPolarHBondContact O-CB 3.41Å; K923-T927 PolarHBondContact O-N 3.17Å; K923-T927 PolarHBondContact O-OG1 3.43Å; C924-T927 PolarHBondContact O-N 3.44Å; A925-T927 VanDerWaalsContact C-N 3.32Å; A925-T927 PolarHBondContact O-N 3.45Å; T927-K930 PolarHBondContact O-N 3.24Å; T927-L931 HydrophobicContact CG2-CD1 4.07Å; T927-L931 WeakPolarHBondContact O-CB 3.32Å; T927-L931 VanDerWaalsContact O-CG 3.31Å; T927-L931 WeakPolarHBondContact O-CG 3.47Å; T927-L931 PolarHBondContact O-N 3.17Å |
| 928 | V | 57 | Low | 59.3 | Low | 84 Ų | 84 | 102.1 Ų | 102.1 | 51% | 0.509 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.4 | -50 | 173.9 | 168 | 0 | 0 | 0 | 0 | 110.1 | C924 A925 K930 L931 T932 | C924-V928 WeakPolarHBondContact O-CB 3.22Å; C924-V928 VanDerWaalsContact O-CG2 3.31Å; C924-V928 WeakPolarHBondContact O-CG2 3.34Å; C924-V928 PolarHBondContact O-N 2.63Å; A925-V928 PolarHBondContact O-N 2.82Å; V928-K930 VanDerWaalsContact C-N 3.3Å; V928-K930 PolarHBondContact O-N 3.34Å; V928-L931 PolarHBondContact O-N 3.18Å; V928-T932 PolarHBondContact O-N 3.28Å; V928-T932 PolarHBondContact O-OG1 3.19Å |
| 929 | N | 62.5 | Low | 58.6 | Low | 106 Ų | 106 | 98.4 Ų | 98.4 | 57% | 0.567 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -56.5 | -44.6 | 176.8 | -70.3 | -7.9 | 0 | 0 | 0 | 111.8 | A925 T932 E933 | A925-N929 WeakPolarHBondContact O-CB 3.31Å; A925-N929 VanDerWaalsContact O-CG 3.23Å; A925-N929 PolarHBondContact O-N 3.12Å; A925-N929 PolarHBondContact O-OD1 3.26Å; N929-T932 WeakPolarHBondContact O-CB 3.45Å; N929-T932 PolarHBondContact O-N 2.9Å; N929-E933 PolarHBondContact O-N 3.17Å |
| 930 | K | 60.1 | Low | 57.9 | Low | 136 Ų | 136 | 96.9 Ų | 96.9 | 59% | 0.591 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72 | -31.1 | -178.6 | -156.6 | 158.4 | -168.1 | 165.2 | 0 | 113.2 | A926 T927 V928 V934 | A926-K930 VanDerWaalsContact O-CB 3.31Å; A926-K930 WeakPolarHBondContact O-CB 3.16Å; A926-K930 PolarHBondContact O-N 2.81Å; T927-K930 PolarHBondContact O-N 3.24Å; V928-K930 VanDerWaalsContact C-N 3.3Å; V928-K930 PolarHBondContact O-N 3.34Å; K930-V934 VanDerWaalsContact O-CG2 3.29Å; K930-V934 WeakPolarHBondContact O-CG2 3.33Å; K930-V934 PolarHBondContact O-N 3.35Å; K930-V934 VanDerWaalsContact O-N 3.09Å |
| 931 | L | 53.3 | Low | 57.3 | Low | 97 Ų | 97 | 97.4 Ų | 97.4 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.5 | -38.8 | 168.1 | -75.9 | 168 | 0 | 0 | 0 | 111.4 | T927 V928 V934 M935 | T927-L931 HydrophobicContact CG2-CD1 4.07Å; T927-L931 WeakPolarHBondContact O-CB 3.32Å; T927-L931 VanDerWaalsContact O-CG 3.31Å; T927-L931 WeakPolarHBondContact O-CG 3.47Å; T927-L931 PolarHBondContact O-N 3.17Å; V928-L931 PolarHBondContact O-N 3.18Å; L931-V934 PolarHBondContact O-N 3.45Å; L931-M935 WeakPolarHBondContact O-CB 3.47Å; L931-M935 WeakPolarHBondContact O-CG 3.47Å; L931-M935 PolarHBondContact O-N 3.33Å |
| 932 | T | 56.8 | Low | 56.7 | Low | 83 Ų | 83 | 95.7 Ų | 95.7 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 175.1 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | V928 N929 S936 | V928-T932 PolarHBondContact O-N 3.28Å; V928-T932 PolarHBondContact O-OG1 3.19Å; N929-T932 WeakPolarHBondContact O-CB 3.45Å; N929-T932 PolarHBondContact O-N 2.9Å; T932-S936 PolarHBondContact O-N 3.22Å |
| 933 | E | 54.6 | Low | 55.9 | Low | 136 Ų | 136 | 96.2 Ų | 96.2 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.6 | -51.7 | 170.3 | -72.6 | -174 | 122.9 | 0 | 0 | 111.7 | N929 M935 S936 | N929-E933 PolarHBondContact O-N 3.17Å; E933-M935 VanDerWaalsContact C-N 3.34Å; E933-M935 PolarHBondContact O-N 3.31Å; E933-S936 WeakPolarHBondContact O-CB 3.34Å; E933-S936 PolarHBondContact O-N 3.02Å; E933-S936 PolarHBondContact O-OG 3.25Å |
| 934 | V | 53.8 | Low | 55.1 | Low | 70 Ų | 70 | 97.1 Ų | 97.1 | 42% | 0.424 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.1 | -35.5 | -177.1 | 170 | 0 | 0 | 0 | 0 | 112.5 | K930 L931 S936 L943 | K930-V934 VanDerWaalsContact O-CG2 3.29Å; K930-V934 WeakPolarHBondContact O-CG2 3.33Å; K930-V934 PolarHBondContact O-N 3.35Å; K930-V934 VanDerWaalsContact O-N 3.09Å; L931-V934 PolarHBondContact O-N 3.45Å; V934-S936 VanDerWaalsContact C-N 3.28Å; V934-S936 PolarHBondContact O-N 3.3Å; V934-L943 HydrophobicContact CG1-CD2 4.45Å |
| 935 | M | 47.1 | Very low | 55.1 | Low | 152 Ų | 152 | 99.2 Ų | 99.2 | 75% | 0.749 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.7 | -9.1 | 174.7 | -67.1 | -164.9 | -53.2 | 0 | 0 | 113.9 | L931 E933 G937 | L931-M935 WeakPolarHBondContact O-CB 3.47Å; L931-M935 WeakPolarHBondContact O-CG 3.47Å; L931-M935 PolarHBondContact O-N 3.33Å; E933-M935 VanDerWaalsContact C-N 3.34Å; E933-M935 PolarHBondContact O-N 3.31Å; M935-G937 PolarHBondContact O-N 3.37Å |
| 936 | S | 52.4 | Low | 54.7 | Low | 70 Ų | 70 | 101.5 Ų | 101.5 | 49% | 0.49 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -3.5 | -177.1 | 76.3 | 0 | 0 | 0 | 0 | 115.1 | T932 E933 V934 K938 | T932-S936 PolarHBondContact O-N 3.22Å; E933-S936 WeakPolarHBondContact O-CB 3.34Å; E933-S936 PolarHBondContact O-N 3.02Å; E933-S936 PolarHBondContact O-OG 3.25Å; V934-S936 VanDerWaalsContact C-N 3.28Å; V934-S936 PolarHBondContact O-N 3.3Å; S936-K938 VanDerWaalsContact C-N 3.33Å; S936-K938 PolarHBondContact O-N 3.31Å |
| 937 | G | 48.4 | Very low | 54.1 | Low | 71 Ų | 71 | 104.2 Ų | 104.2 | 73% | 0.732 | 56% | 0.559 | S | S | * | * | trans | 72.3 | 11.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117 | M935 | M935-G937 PolarHBondContact O-N 3.37Š| ||
| 938 | K | 53 | Low | 53.7 | Low | 190 Ų | 190 | 104.4 Ų | 104.4 | 83% | 0.826 | 56% | 0.557 | S | S | * | * | trans | -88.8 | -9 | -168.5 | -78.7 | -177.7 | 177.4 | 178.5 | 0 | 117.5 | S936 | S936-K938 VanDerWaalsContact C-N 3.33Å; S936-K938 PolarHBondContact O-N 3.31Å | ||
| 939 | N | 52 | Low | 53.3 | Low | 83 Ų | 83 | 103.4 Ų | 103.4 | 44% | 0.444 | 56% | 0.558 | S | S | . | * | trans | -155.2 | 98.9 | 178.4 | -164.4 | -22.8 | 0 | 0 | 0 | 112.6 | D941 T942 | N939-D941 VanDerWaalsContact C-N 3.33Å; N939-D941 PolarHBondContact O-N 3.45Å; N939-D941 WeakPolarHBondContact OD1-CB 3.43Å; N939-D941 PolarHBondContact OD1-N 3.2Å; N939-T942 PolarHBondContact ND2-OG1 3.39Å; N939-T942 PolarHBondContact O-N 3.06Å | ||
| 940 | P | 53.9 | Low | 52.8 | Low | 96 Ų | 96 | 101.9 Ų | 101.9 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -34.8 | 179.4 | 25.9 | -31.6 | 0 | 0 | 0 | 112.5 | T942 L943 | P940-T942 PolarHBondContact O-N 2.89Å; P940-T942 VanDerWaalsContact O-N 3.14Å; P940-L943 WeakPolarHBondContact O-CB 3.35Å; P940-L943 PolarHBondContact O-N 3.02Å |
| 941 | D | 54 | Low | 52.3 | Low | 106 Ų | 106 | 97.4 Ų | 97.4 | 57% | 0.567 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.4 | -24.2 | -177.1 | -46.8 | -10.3 | 0 | 0 | 0 | 112 | N939 E944 L945 | N939-D941 VanDerWaalsContact C-N 3.33Å; N939-D941 PolarHBondContact O-N 3.45Å; N939-D941 WeakPolarHBondContact OD1-CB 3.43Å; N939-D941 PolarHBondContact OD1-N 3.2Å; D941-E944 PolarHBondContact O-N 3.36Å; D941-L945 WeakPolarHBondContact O-CG 3.5Å; D941-L945 PolarHBondContact O-N 3.49Å |
| 942 | T | 52.6 | Low | 51.8 | Low | 64 Ų | 64 | 100.5 Ų | 100.5 | 39% | 0.393 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.6 | -29.5 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | N939 P940 M946 | N939-T942 PolarHBondContact ND2-OG1 3.39Å; N939-T942 PolarHBondContact O-N 3.06Å; P940-T942 PolarHBondContact O-N 2.89Å; P940-T942 VanDerWaalsContact O-N 3.14Å; T942-M946 PolarHBondContact O-N 3.25Å |
| 943 | L | 50.3 | Low | 51.1 | Low | 104 Ų | 104 | 105.3 Ų | 105.3 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.6 | -39.9 | 174.6 | -80.3 | 160 | 0 | 0 | 0 | 111.4 | V934 P940 M946 W947 | V934-L943 HydrophobicContact CG1-CD2 4.45Å; P940-L943 WeakPolarHBondContact O-CB 3.35Å; P940-L943 PolarHBondContact O-N 3.02Å; L943-M946 PolarHBondContact O-N 3.15Å; L943-W947 VanDerWaalsContact O-CB 3.31Å; L943-W947 WeakPolarHBondContact O-CB 3.39Å; L943-W947 PolarHBondContact O-N 3.46Å |
| 944 | E | 51.6 | Low | 50.4 | Low | 130 Ų | 130 | 104.3 Ų | 104.3 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.4 | -42.4 | 177.2 | -171.1 | 166.9 | -157.7 | 0 | 0 | 111.3 | D941 W947 L948 | D941-E944 PolarHBondContact O-N 3.36Å; E944-W947 PolarHBondContact O-N 3.4Å; E944-L948 HydrophobicContact CG-CD1 4.23Å; E944-L948 WeakPolarHBondContact O-CG 2.89Å; E944-L948 PolarHBondContact O-N 2.74Å |
| 945 | L | 56.3 | Low | 49.6 | Very low | 118 Ų | 118 | 107.1 Ų | 107.1 | 62% | 0.618 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.2 | -42.6 | 175.3 | -69 | 170.6 | 0 | 0 | 0 | 113.1 | D941 W947 A949 | D941-L945 WeakPolarHBondContact O-CG 3.5Å; D941-L945 PolarHBondContact O-N 3.49Å; L945-W947 VanDerWaalsContact C-N 3.32Å; L945-W947 PolarHBondContact O-N 2.83Å; L945-A949 WeakPolarHBondContact O-CB 3.27Å; L945-A949 PolarHBondContact O-N 3.08Å |
| 946 | M | 51.8 | Low | 49 | Very low | 98 Ų | 98 | 104.5 Ų | 104.5 | 48% | 0.483 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.7 | -38.1 | 174.2 | -92.8 | 178.1 | 48 | 0 | 0 | 112.7 | T942 L943 S950 | T942-M946 PolarHBondContact O-N 3.25Å; L943-M946 PolarHBondContact O-N 3.15Å; M946-S950 PolarHBondContact O-N 3.2Å; M946-S950 PolarHBondContact O-OG 3.33Å |
| 947 | W | 53.2 | Low | 48 | Very low | 113 Ų | 113 | 110.7 Ų | 110.7 | 43% | 0.428 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.7 | -44.1 | 179.5 | -174.5 | 87.5 | 0 | 0 | 0 | 111.8 | L943 E944 L945 F951 A978 | L943-W947 VanDerWaalsContact O-CB 3.31Å; L943-W947 WeakPolarHBondContact O-CB 3.39Å; L943-W947 PolarHBondContact O-N 3.46Å; E944-W947 PolarHBondContact O-N 3.4Å; L945-W947 VanDerWaalsContact C-N 3.32Å; L945-W947 PolarHBondContact O-N 2.83Å; W947-F951 HydrophobicContact CH2-CE2 4.27Å; W947-F951 HydrophobicContact CZ2-CE2 4.35Å; W947-A978 HydrophobicContact CH2-CB 4.1Å; W947-A978 WeakPolarHBondContact CH2-O 3.38Å; W947-A978 HydrophobicContact CZ3-CB 4.45Å |
| 948 | L | 53.1 | Low | 47.1 | Very low | 86 Ų | 86 | 111.9 Ų | 111.9 | 45% | 0.45 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.4 | -42.8 | 175.7 | -71.2 | 170.1 | 0 | 0 | 0 | 112.5 | E944 S950 F951 | E944-L948 HydrophobicContact CG-CD1 4.23Å; E944-L948 WeakPolarHBondContact O-CG 2.89Å; E944-L948 PolarHBondContact O-N 2.74Å; L948-S950 PolarHBondContact O-N 3.27Å; L948-F951 VanDerWaalsContact O-CB 3.26Å; L948-F951 WeakPolarHBondContact O-CB 2.99Å; L948-F951 PolarHBondContact O-N 3.08Å |
| 949 | A | 48.1 | Very low | 46.4 | Very low | 63 Ų | 63 | 105.5 Ų | 105.5 | 52% | 0.521 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.3 | -41 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L945 F951 Q952 | L945-A949 WeakPolarHBondContact O-CB 3.27Å; L945-A949 PolarHBondContact O-N 3.08Å; A949-F951 PolarHBondContact O-N 2.92Å; A949-Q952 PolarHBondContact O-N 3.24Å |
| 950 | S | 53.1 | Low | 45.3 | Very low | 74 Ų | 74 | 104.4 Ų | 104.4 | 52% | 0.517 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | -13.8 | 179 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | M946 L948 | M946-S950 PolarHBondContact O-N 3.2Å; M946-S950 PolarHBondContact O-OG 3.33Å; L948-S950 PolarHBondContact O-N 3.27Å |
| 951 | F | 49.3 | Very low | 44.1 | Very low | 42 Ų | 42 | 110.1 Ų | 110.1 | 18% | 0.184 | 58% | 0.584 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | -22.1 | -176.2 | -148.2 | -89.6 | 0 | 0 | 0 | 113.4 | W947 L948 A949 V977 K981 | W947-F951 HydrophobicContact CH2-CE2 4.27Å; W947-F951 HydrophobicContact CZ2-CE2 4.35Å; L948-F951 VanDerWaalsContact O-CB 3.26Å; L948-F951 WeakPolarHBondContact O-CB 2.99Å; L948-F951 PolarHBondContact O-N 3.08Å; A949-F951 PolarHBondContact O-N 2.92Å; F951-V977 HydrophobicContact CE1-CG1 4.06Å; F951-V977 HydrophobicContact CZ-CG1 4.15Å; F951-K981 HydrophobicContact CE1-CD 3.6Å; F951-K981 HydrophobicContact CE2-CB 3.73Å; F951-K981 HydrophobicContact CE2-CD 4.24Å; F951-K981 HydrophobicContact CZ-CB 3.7Å; F951-K981 HydrophobicContact CZ-CD 3.46Å; F951-K981 VanDerWaalsContact CZ-CD 3.46Å; F951-K981 HydrophobicContact CZ-CG 4.08Å |
| 952 | Q | 41.9 | Very low | 42.8 | Very low | 162 Ų | 162 | 111.1 Ų | 111.1 | 76% | 0.757 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -19.6 | -175.6 | -68 | -168.7 | -86 | 0 | 0 | 114.3 | A949 Q954 | A949-Q952 PolarHBondContact O-N 3.24Å; Q952-Q954 PolarHBondContact O-N 2.69Å; Q952-Q954 VanDerWaalsContact O-N 3.13Å |
| 953 | Q | 41.8 | Very low | 41.8 | Very low | 183 Ų | 183 | 114.5 Ų | 114.5 | 86% | 0.855 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 23.1 | -171.2 | -147.6 | 173.7 | 15.3 | 0 | 0 | 114.5 | ||
| 954 | Q | 40.1 | Very low | 41 | Very low | 115 Ų | 115 | 114.1 Ų | 114.1 | 54% | 0.537 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.6 | 11.8 | -179.4 | -87.8 | -173.3 | -2.4 | 0 | 0 | 115.2 | Q952 | Q952-Q954 PolarHBondContact O-N 2.69Å; Q952-Q954 VanDerWaalsContact O-N 3.13Å |
| 955 | E | 38 | Very low | 40 | Very low | 130 Ų | 130 | 114 Ų | 114 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -117.1 | 25.1 | 178.5 | -63.6 | -171.4 | 156.4 | 0 | 0 | 113.4 | K981 | E955-K981 IonicContact OE1-NZ 3.08Å; E955-K981 PolarHBondContact OE1-NZ 3.22Å |
| 956 | Q | 34.3 | Very low | 38.6 | Very low | 96 Ų | 96 | 118 Ų | 118 | 45% | 0.449 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -139.6 | 4 | 178.5 | -72.7 | -155.3 | -5.7 | 0 | 0 | 117.2 | A958 G959 G960 R961 | Q956-A958 CarbonylContact C-O 3.55Å; Q956-A958 WeakPolarHBondContact CA-O 3.48Å; Q956-A958 CarbonylContact O-C 3.59Å; Q956-A958 VanDerWaalsContact O-C 3.31Å; Q956-G959 WeakPolarHBondContact CA-O 3.33Å; Q956-G959 WeakPolarHBondContact CB-O 3.09Å; Q956-G959 VanDerWaalsContact CG-O 3.27Å; Q956-G959 WeakPolarHBondContact CG-O 3.48Å; Q956-G959 CarbonylContact O-C 3.41Å; Q956-G959 PolarHBondContact O-N 2.88Å; Q956-G960 PolarHBondContact O-N 3.19Å; Q956-R961 PolarHBondContact NE2-O 3.26Å; Q956-R961 PolarHBondContact OE1-O 3.26Å; Q956-R961 VanDerWaalsContact OE1-O 3.08Å |
| 957 | E | 32 | Very low | 37.8 | Very low | 200 Ų | 200 | 118.5 Ų | 118.5 | 94% | 0.935 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -118.9 | 98.2 | 144.5 | -85.8 | -165 | 156 | 0 | 0 | 106.1 | ||
| 958 | A | 29 | Very low | 36.5 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 80% | 0.802 | 68% | 0.68 | S | S | * | * | S | Bend | cis | -73 | 137 | 10.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q956 | Q956-A958 CarbonylContact C-O 3.55Å; Q956-A958 WeakPolarHBondContact CA-O 3.48Å; Q956-A958 CarbonylContact O-C 3.59Å; Q956-A958 VanDerWaalsContact O-C 3.31Å |
| 959 | G | 37.1 | Very low | 35.8 | Very low | 56 Ų | 56 | 121.4 Ų | 121.4 | 58% | 0.577 | 70% | 0.7 | S | S | * | * | trans | 88.5 | 91.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | Q956 | Q956-G959 WeakPolarHBondContact CA-O 3.33Å; Q956-G959 WeakPolarHBondContact CB-O 3.09Å; Q956-G959 VanDerWaalsContact CG-O 3.27Å; Q956-G959 WeakPolarHBondContact CG-O 3.48Å; Q956-G959 CarbonylContact O-C 3.41Å; Q956-G959 PolarHBondContact O-N 2.88Å | ||
| 960 | G | 29.4 | Very low | 35.7 | Very low | 60 Ų | 60 | 123.4 Ų | 123.4 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | trans | -70.5 | 148.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q956 | Q956-G960 PolarHBondContact O-N 3.19Š| ||
| 961 | R | 29.6 | Very low | 35.5 | Very low | 215 Ų | 215 | 127.9 Ų | 127.9 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -168.3 | 145.6 | 163.4 | -110 | 168.2 | -164.6 | -165.1 | 3.5 | 113.6 | Q956 | Q956-R961 PolarHBondContact NE2-O 3.26Å; Q956-R961 PolarHBondContact OE1-O 3.26Å; Q956-R961 VanDerWaalsContact OE1-O 3.08Å | ||
| 962 | T | 26.3 | Very low | 35.6 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -78.3 | -174.6 | 177.9 | 47.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 963 | V | 32 | Very low | 35.9 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | 81.2 | 155.7 | 169.2 | -172.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 964 | S | 32.8 | Very low | 35.9 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | -162.4 | 151 | -95 | 49.9 | 0 | 0 | 0 | 0 | 111.2 | F966 | S964-F966 PolarHBondContact O-N 3.38Š| |||
| 965 | P | 31.5 | Very low | 36.4 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -94.1 | 94.9 | -166.8 | 35.5 | -34.8 | 0 | 0 | 0 | 115.5 | ||||
| 966 | F | 26 | Very low | 36.8 | Very low | 203 Ų | 203 | 134.7 Ų | 134.7 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -158.5 | 149.1 | 146.4 | -120.5 | -82.5 | 0 | 0 | 0 | 110.1 | S964 | S964-F966 PolarHBondContact O-N 3.38Š| ||
| 967 | S | 35.6 | Very low | 37.5 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 74.9 | 127 | -179.7 | -66.3 | 0 | 0 | 0 | 0 | 119.6 | ||
| 968 | L | 26.4 | Very low | 38.1 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | 72.9 | 102.4 | 155.3 | -60.9 | 168.4 | 0 | 0 | 0 | 121.7 | ||||
| 969 | G | 37.7 | Very low | 38.9 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 88% | 0.876 | 76% | 0.758 | S | S | * | * | trans | 67.4 | 139.8 | 139.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 970 | S | 46.7 | Very low | 39.2 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | cis | -147.6 | 163.4 | -4.4 | 68.4 | 0 | 0 | 0 | 0 | 111 | S972 | S970-S972 PolarHBondContact O-N 3.23Š| ||
| 971 | N | 48 | Very low | 40 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -1.4 | -156.6 | -73.1 | -8.9 | 0 | 0 | 0 | 118.1 | ||
| 972 | S | 50.6 | Low | 40.9 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -20 | -162.7 | -152.5 | 0 | 0 | 0 | 0 | 116.2 | S970 | S970-S972 PolarHBondContact O-N 3.23Š|
| 973 | A | 48.6 | Very low | 41.8 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -97 | -25.4 | -158.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 974 | R | 42.7 | Very low | 43 | Very low | 219 Ų | 219 | 122.5 Ų | 122.5 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -87.6 | -27.4 | -163 | -76.8 | -175.1 | 169.6 | 120.8 | 0.3 | 116.1 | K976 V977 | R974-K976 PolarHBondContact O-N 2.96Å; R974-V977 PolarHBondContact O-N 3.21Å |
| 975 | N | 50.3 | Low | 43.9 | Very low | 156 Ų | 156 | 120.5 Ų | 120.5 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 4.9 | -170.1 | -70 | 7.7 | 0 | 0 | 0 | 116.1 | ||
| 976 | K | 47.3 | Very low | 44.6 | Very low | 196 Ų | 196 | 120.5 Ų | 120.5 | 85% | 0.852 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -10.6 | 176.5 | -104.2 | -179.8 | 177.1 | 177.1 | 0 | 115.5 | R974 | R974-K976 PolarHBondContact O-N 2.96Š|
| 977 | V | 47.4 | Very low | 46.2 | Very low | 78 Ų | 78 | 118 Ų | 118 | 47% | 0.473 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.7 | -19.3 | -177.2 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | F951 R974 N979 | F951-V977 HydrophobicContact CE1-CG1 4.06Å; F951-V977 HydrophobicContact CZ-CG1 4.15Å; R974-V977 PolarHBondContact O-N 3.21Å; V977-N979 PolarHBondContact O-N 2.96Å |
| 978 | A | 45.2 | Very low | 47.4 | Very low | 46 Ų | 46 | 120.8 Ų | 120.8 | 38% | 0.38 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | 17.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | W947 | W947-A978 HydrophobicContact CH2-CB 4.1Å; W947-A978 WeakPolarHBondContact CH2-O 3.38Å; W947-A978 HydrophobicContact CZ3-CB 4.45Å |
| 979 | N | 46 | Very low | 48.7 | Very low | 156 Ų | 156 | 117.9 Ų | 117.9 | 83% | 0.834 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.5 | 0.5 | -176.6 | -96.1 | -49 | 0 | 0 | 0 | 116.4 | V977 | V977-N979 PolarHBondContact O-N 2.96Š|
| 980 | L | 44.1 | Very low | 49.8 | Very low | 159 Ų | 159 | 117.4 Ų | 117.4 | 83% | 0.832 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | -11.3 | -171.9 | -72 | 172.4 | 0 | 0 | 0 | 116.6 | ||
| 981 | K | 45.4 | Very low | 50.9 | Low | 87 Ų | 87 | 117.9 Ų | 117.9 | 38% | 0.378 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -94.8 | -24.7 | -178 | -80.1 | 174.9 | 164.6 | -176.8 | 0 | 115 | F951 E955 L983 G984 | F951-K981 HydrophobicContact CE1-CD 3.6Å; F951-K981 HydrophobicContact CE2-CB 3.73Å; F951-K981 HydrophobicContact CE2-CD 4.24Å; F951-K981 HydrophobicContact CZ-CB 3.7Å; F951-K981 HydrophobicContact CZ-CD 3.46Å; F951-K981 VanDerWaalsContact CZ-CD 3.46Å; F951-K981 HydrophobicContact CZ-CG 4.08Å; E955-K981 IonicContact OE1-NZ 3.08Å; E955-K981 PolarHBondContact OE1-NZ 3.22Å; K981-L983 PolarHBondContact O-N 2.93Å; K981-G984 PolarHBondContact O-N 3.43Å |
| 982 | G | 47.4 | Very low | 51.7 | Low | 31 Ų | 31 | 115.9 Ų | 115.9 | 32% | 0.32 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.6 | -43.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | G984 Q985 | G982-G984 PolarHBondContact O-N 2.91Å; G982-Q985 PolarHBondContact O-N 2.82Å |
| 983 | L | 46.9 | Very low | 52.3 | Low | 129 Ų | 129 | 116 Ų | 116 | 68% | 0.675 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68 | -21.1 | -177.6 | -139.8 | 76.2 | 0 | 0 | 0 | 113.4 | K981 | K981-L983 PolarHBondContact O-N 2.93Å |
| 984 | G | 57.2 | Low | 53.4 | Low | 44 Ų | 44 | 117 Ų | 117 | 45% | 0.454 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -78.2 | -41.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | K981 G982 R988 | K981-G984 PolarHBondContact O-N 3.43Å; G982-G984 PolarHBondContact O-N 2.91Å; G984-R988 PolarHBondContact O-N 2.91Å |
| 985 | Q | 50.3 | Low | 54.7 | Low | 54 Ų | 54 | 112.3 Ų | 112.3 | 25% | 0.252 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.6 | -40.6 | 178.6 | -75.3 | 179.1 | -27.3 | 0 | 0 | 111.9 | G982 K987 R988 M989 | G982-Q985 PolarHBondContact O-N 2.82Å; Q985-K987 PolarHBondContact O-N 2.71Å; Q985-R988 WeakPolarHBondContact O-CB 3.34Å; Q985-R988 PolarHBondContact O-N 3.06Å; Q985-R988 VanDerWaalsContact O-N 3.17Å; Q985-M989 PolarHBondContact O-N 3.06Å |
| 986 | Q | 47.1 | Very low | 55.5 | Low | 127 Ų | 127 | 113.7 Ų | 113.7 | 59% | 0.593 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.1 | -45.7 | 177.8 | -158.3 | 174.9 | 19.5 | 0 | 0 | 111.4 | R988 M989 T990 | Q986-R988 PolarHBondContact O-N 3.05Å; Q986-M989 PolarHBondContact O-N 3.34Å; Q986-T990 PolarHBondContact O-N 3.16Å; Q986-T990 PolarHBondContact O-OG1 3.04Å; Q986-T990 VanDerWaalsContact O-OG1 3.09Å |
| 987 | K | 60.1 | Low | 56.5 | Low | 149 Ų | 149 | 110 Ų | 110 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.8 | -36.3 | 172.8 | -79.3 | -174.5 | 174.4 | -179.3 | 0 | 113.3 | Q985 T990 L991 | Q985-K987 PolarHBondContact O-N 2.71Å; K987-T990 PolarHBondContact O-N 2.75Å; K987-L991 WeakPolarHBondContact O-CB 3.37Å; K987-L991 WeakPolarHBondContact O-CG 3.34Å; K987-L991 PolarHBondContact O-N 3.26Å |
| 988 | R | 59.6 | Low | 57.8 | Low | 168 Ų | 168 | 114.2 Ų | 114.2 | 63% | 0.634 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.9 | -45.5 | 174.5 | -101 | -176.5 | 172.6 | 177.4 | -2.9 | 112.2 | G984 Q985 Q986 L991 Q992 | G984-R988 PolarHBondContact O-N 2.91Å; Q985-R988 WeakPolarHBondContact O-CB 3.34Å; Q985-R988 PolarHBondContact O-N 3.06Å; Q985-R988 VanDerWaalsContact O-N 3.17Å; Q986-R988 PolarHBondContact O-N 3.05Å; R988-L991 PolarHBondContact O-N 3.48Å; R988-Q992 WeakPolarHBondContact O-CG 3.17Å; R988-Q992 PolarHBondContact O-N 2.64Å |
| 989 | M | 53.5 | Low | 58.9 | Low | 113 Ų | 113 | 117 Ų | 117 | 56% | 0.557 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.5 | -45.1 | 175.7 | -79.9 | -170.9 | -74.9 | 0 | 0 | 112.1 | Q985 Q986 L991 Q992 L993 | Q985-M989 PolarHBondContact O-N 3.06Å; Q986-M989 PolarHBondContact O-N 3.34Å; M989-L991 VanDerWaalsContact C-N 3.3Å; M989-L991 PolarHBondContact O-N 3.42Å; M989-Q992 PolarHBondContact O-N 3.32Å; M989-L993 WeakPolarHBondContact O-CB 3.36Å; M989-L993 PolarHBondContact O-N 2.96Å |
| 990 | T | 61.8 | Low | 59.7 | Low | 76 Ų | 76 | 114.1 Ų | 114.1 | 47% | 0.466 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -37.4 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 112.1 | Q986 K987 N994 | Q986-T990 PolarHBondContact O-N 3.16Å; Q986-T990 PolarHBondContact O-OG1 3.04Å; Q986-T990 VanDerWaalsContact O-OG1 3.09Å; K987-T990 PolarHBondContact O-N 2.75Å; T990-N994 WeakPolarHBondContact O-CB 3.27Å; T990-N994 PolarHBondContact O-N 3.12Å; T990-N994 PolarHBondContact O-ND2 3.2Å; T990-N994 VanDerWaalsContact O-ND2 3.16Å |
| 991 | L | 69.4 | Low | 61.1 | Low | 115 Ų | 115 | 113.4 Ų | 113.4 | 60% | 0.602 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.4 | -47.4 | 173.3 | -82.4 | 163.5 | 0 | 0 | 0 | 112.1 | K987 R988 M989 L993 N994 Q995 | K987-L991 WeakPolarHBondContact O-CB 3.37Å; K987-L991 WeakPolarHBondContact O-CG 3.34Å; K987-L991 PolarHBondContact O-N 3.26Å; R988-L991 PolarHBondContact O-N 3.48Å; M989-L991 VanDerWaalsContact C-N 3.3Å; M989-L991 PolarHBondContact O-N 3.42Å; L991-L993 PolarHBondContact O-N 3.46Å; L991-N994 PolarHBondContact O-N 3.37Å; L991-Q995 VanDerWaalsContact O-CB 3.29Å; L991-Q995 WeakPolarHBondContact O-CB 2.97Å; L991-Q995 PolarHBondContact O-N 3.08Å |
| 992 | Q | 64.7 | Low | 62.5 | Low | 126 Ų | 126 | 118.8 Ų | 118.8 | 59% | 0.589 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.8 | -39.1 | 178.4 | -74.9 | 177.6 | -37 | 0 | 0 | 112.9 | R988 M989 Q995 R996 | R988-Q992 WeakPolarHBondContact O-CG 3.17Å; R988-Q992 PolarHBondContact O-N 2.64Å; M989-Q992 PolarHBondContact O-N 3.32Å; Q992-Q995 PolarHBondContact O-N 2.67Å; Q992-R996 PolarHBondContact O-N 2.91Å |
| 993 | L | 63 | Low | 63.2 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62 | -49.3 | 173.1 | -88.6 | 159.2 | 0 | 0 | 0 | 111.7 | M989 L991 Q995 R996 H997 | M989-L993 WeakPolarHBondContact O-CB 3.36Å; M989-L993 PolarHBondContact O-N 2.96Å; L991-L993 PolarHBondContact O-N 3.46Å; L993-Q995 VanDerWaalsContact C-N 3.26Å; L993-Q995 PolarHBondContact O-N 3.4Å; L993-R996 PolarHBondContact O-N 3.26Å; L993-H997 WeakPolarHBondContact O-CB 3.47Å; L993-H997 PolarHBondContact O-N 3.36Å |
| 994 | N | 71.7 | Confident | 64.3 | Low | 103 Ų | 103 | 121.3 Ų | 121.3 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.6 | -32.2 | 176.9 | -76.7 | -32 | 0 | 0 | 0 | 112.7 | T990 L991 K998 | T990-N994 WeakPolarHBondContact O-CB 3.27Å; T990-N994 PolarHBondContact O-N 3.12Å; T990-N994 PolarHBondContact O-ND2 3.2Å; T990-N994 VanDerWaalsContact O-ND2 3.16Å; L991-N994 PolarHBondContact O-N 3.37Å; N994-K998 WeakPolarHBondContact O-CB 3.48Å; N994-K998 PolarHBondContact O-N 3.21Å; N994-K998 VanDerWaalsContact O-N 3.13Å |
| 995 | Q | 71.7 | Confident | 65.1 | Low | 121 Ų | 121 | 122.4 Ų | 122.4 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.9 | -50.9 | 177.6 | -164.8 | 162.8 | 0.4 | 0 | 0 | 111 | L991 Q992 L993 H997 K998 E999 | L991-Q995 VanDerWaalsContact O-CB 3.29Å; L991-Q995 WeakPolarHBondContact O-CB 2.97Å; L991-Q995 PolarHBondContact O-N 3.08Å; Q992-Q995 PolarHBondContact O-N 2.67Å; L993-Q995 VanDerWaalsContact C-N 3.26Å; L993-Q995 PolarHBondContact O-N 3.4Å; Q995-H997 VanDerWaalsContact C-N 3.31Å; Q995-H997 PolarHBondContact O-N 3.41Å; Q995-K998 WeakPolarHBondContact O-CB 3.43Å; Q995-K998 PolarHBondContact O-N 2.92Å; Q995-E999 PolarHBondContact O-N 3.44Å |
| 996 | R | 65.8 | Low | 66.1 | Low | 185 Ų | 185 | 123.9 Ų | 123.9 | 70% | 0.698 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58 | -40.4 | 172.2 | -83.2 | -172.5 | 166.6 | -170 | -3.6 | 113.1 | Q992 L993 K998 E999 N1000 | Q992-R996 PolarHBondContact O-N 2.91Å; L993-R996 PolarHBondContact O-N 3.26Å; R996-K998 PolarHBondContact O-N 3.19Å; R996-E999 PolarHBondContact O-N 3.31Å; R996-N1000 PolarHBondContact O-N 3.23Å |
| 997 | H | 68.8 | Low | 66.9 | Low | 118 Ų | 118 | 122.5 Ų | 122.5 | 55% | 0.546 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.7 | -26 | 178.9 | -156.7 | 65.5 | 0 | 0 | 0 | 112.3 | L993 Q995 | L993-H997 WeakPolarHBondContact O-CB 3.47Å; L993-H997 PolarHBondContact O-N 3.36Å; Q995-H997 VanDerWaalsContact C-N 3.31Å; Q995-H997 PolarHBondContact O-N 3.41Å |
| 998 | K | 74.5 | Confident | 67.5 | Low | 167 Ų | 167 | 120.1 Ų | 120.1 | 73% | 0.726 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -79.8 | -33.9 | 173.3 | -154.1 | 172.2 | -172.5 | 178.4 | 0 | 112.4 | N994 Q995 R996 R1002 | N994-K998 WeakPolarHBondContact O-CB 3.48Å; N994-K998 PolarHBondContact O-N 3.21Å; N994-K998 VanDerWaalsContact O-N 3.13Å; Q995-K998 WeakPolarHBondContact O-CB 3.43Å; Q995-K998 PolarHBondContact O-N 2.92Å; R996-K998 PolarHBondContact O-N 3.19Å; K998-R1002 PolarHBondContact O-N 3.48Å |
| 999 | E | 67.6 | Low | 68.5 | Low | 105 Ų | 105 | 117.2 Ų | 117.2 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.6 | -46.9 | 173.4 | -70.4 | 171.1 | 142.1 | 0 | 0 | 111.9 | Q995 R996 K1001 R1002 L1003 | Q995-E999 PolarHBondContact O-N 3.44Å; R996-E999 PolarHBondContact O-N 3.31Å; E999-K1001 VanDerWaalsContact C-N 3.32Å; E999-K1001 PolarHBondContact O-N 3.24Å; E999-R1002 WeakPolarHBondContact O-CA 3.32Å; E999-R1002 VanDerWaalsContact O-CB 3.28Å; E999-R1002 WeakPolarHBondContact O-CB 3.3Å; E999-R1002 PolarHBondContact O-N 3.33Å; E999-L1003 PolarHBondContact O-N 2.89Å |
| 1000 | N | 64.4 | Low | 69.2 | Low | 96 Ų | 96 | 115.7 Ų | 115.7 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -57.2 | -42.4 | 177.2 | -81.3 | 11.6 | 0 | 0 | 0 | 112.4 | R996 R1002 L1003 I1004 | R996-N1000 PolarHBondContact O-N 3.23Å; N1000-R1002 PolarHBondContact O-N 3.5Å; N1000-L1003 PolarHBondContact O-N 3.02Å; N1000-I1004 WeakPolarHBondContact O-CG1 3.5Å; N1000-I1004 PolarHBondContact O-N 2.82Å; N1000-I1004 VanDerWaalsContact O-N 3.09Å |
| 1001 | K | 72.3 | Confident | 69.4 | Low | 144 Ų | 144 | 115 Ų | 115 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.6 | -31.1 | 175.3 | -75.5 | -168.5 | 175.6 | -170.7 | 0 | 113 | E999 S1005 | E999-K1001 VanDerWaalsContact C-N 3.32Å; E999-K1001 PolarHBondContact O-N 3.24Å; K1001-S1005 PolarHBondContact O-N 2.9Å; K1001-S1005 PolarHBondContact O-OG 3.33Å |
| 1002 | R | 74.3 | Confident | 69.7 | Low | 200 Ų | 200 | 114.9 Ų | 114.9 | 76% | 0.755 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.3 | -40.7 | 177.9 | -136.2 | 178.2 | -172.7 | -174 | -0.3 | 112 | K998 E999 N1000 S1005 E1006 | K998-R1002 PolarHBondContact O-N 3.48Å; E999-R1002 WeakPolarHBondContact O-CA 3.32Å; E999-R1002 VanDerWaalsContact O-CB 3.28Å; E999-R1002 WeakPolarHBondContact O-CB 3.3Å; E999-R1002 PolarHBondContact O-N 3.33Å; N1000-R1002 PolarHBondContact O-N 3.5Å; R1002-S1005 WeakPolarHBondContact CA-OG 3.43Å; R1002-S1005 PolarHBondContact O-N 2.72Å; R1002-S1005 PolarHBondContact O-OG 2.79Å; R1002-E1006 PolarHBondContact O-N 3.27Å |
| 1003 | L | 63.9 | Low | 70.2 | Confident | 108 Ų | 108 | 113 Ų | 113 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 175.5 | -69.7 | 168.3 | 0 | 0 | 0 | 111.7 | E999 N1000 S1005 E1006 I1007 | E999-L1003 PolarHBondContact O-N 2.89Å; N1000-L1003 PolarHBondContact O-N 3.02Å; L1003-S1005 VanDerWaalsContact C-N 3.35Å; L1003-S1005 PolarHBondContact O-N 3.46Å; L1003-E1006 PolarHBondContact O-N 3.08Å; L1003-I1007 WeakPolarHBondContact O-CG1 3.47Å; L1003-I1007 PolarHBondContact O-N 3.1Å |
| 1004 | I | 68.8 | Low | 70.2 | Confident | 104 Ų | 104 | 112.7 Ų | 112.7 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 177 | -68 | 164.1 | 0 | 0 | 0 | 111.6 | N1000 E1006 N1008 | N1000-I1004 WeakPolarHBondContact O-CG1 3.5Å; N1000-I1004 PolarHBondContact O-N 2.82Å; N1000-I1004 VanDerWaalsContact O-N 3.09Å; I1004-E1006 VanDerWaalsContact C-N 3.35Å; I1004-E1006 PolarHBondContact O-N 3.41Å; I1004-N1008 PolarHBondContact O-N 3.35Å |
| 1005 | S | 74.4 | Confident | 70.1 | Confident | 68 Ų | 68 | 111.1 Ų | 111.1 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -35 | 176.4 | 43.4 | 0 | 0 | 0 | 0 | 113.6 | K1001 R1002 L1003 R1009 | K1001-S1005 PolarHBondContact O-N 2.9Å; K1001-S1005 PolarHBondContact O-OG 3.33Å; R1002-S1005 WeakPolarHBondContact CA-OG 3.43Å; R1002-S1005 PolarHBondContact O-N 2.72Å; R1002-S1005 PolarHBondContact O-OG 2.79Å; L1003-S1005 VanDerWaalsContact C-N 3.35Å; L1003-S1005 PolarHBondContact O-N 3.46Å; S1005-R1009 PolarHBondContact O-N 2.95Å |
| 1006 | E | 71.1 | Confident | 70.3 | Confident | 84 Ų | 84 | 110.7 Ų | 110.7 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.7 | -37.4 | -179.8 | -167.3 | 60.2 | -158.1 | 0 | 0 | 112 | R1002 L1003 I1004 N1008 R1009 L1010 | R1002-E1006 PolarHBondContact O-N 3.27Å; L1003-E1006 PolarHBondContact O-N 3.08Å; I1004-E1006 VanDerWaalsContact C-N 3.35Å; I1004-E1006 PolarHBondContact O-N 3.41Å; E1006-N1008 VanDerWaalsContact C-N 3.31Å; E1006-N1008 PolarHBondContact O-N 2.83Å; E1006-R1009 WeakPolarHBondContact O-CB 3.31Å; E1006-R1009 PolarHBondContact O-N 3.32Å; E1006-R1009 IonicContact OE1-CZ 2.01Å; E1006-R1009 IonicContact OE1-NE 2.68Å; E1006-R1009 PolarHBondContact OE1-NE 3.45Å; E1006-R1009 IonicContact OE1-NH2 2.67Å; E1006-R1009 PolarHBondContact OE1-NH2 2.89Å; E1006-R1009 IonicContact OE2-NE 3.8Å; E1006-R1009 PolarHBondContact OE2-NE 3.37Å; E1006-L1010 HydrophobicContact CG-CD1 4.43Å; E1006-L1010 WeakPolarHBondContact O-CG 3.49Å; E1006-L1010 PolarHBondContact O-N 3.29Å; E1006-L1010 VanDerWaalsContact O-N 3.11Å |
| 1007 | I | 64.4 | Low | 70.3 | Confident | 98 Ų | 98 | 107 Ų | 107 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 173.9 | -70.6 | 165.4 | 0 | 0 | 0 | 110.7 | L1003 L1010 N1011 | L1003-I1007 WeakPolarHBondContact O-CG1 3.47Å; L1003-I1007 PolarHBondContact O-N 3.1Å; I1007-L1010 PolarHBondContact O-N 2.91Å; I1007-N1011 PolarHBondContact O-N 3.35Å; I1007-N1011 PolarHBondContact O-ND2 3.5Å |
| 1008 | N | 72 | Confident | 70.2 | Confident | 99 Ų | 99 | 109.1 Ų | 109.1 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 177.4 | -70.3 | -8.3 | 0 | 0 | 0 | 111.4 | I1004 E1006 L1010 N1011 D1012 | I1004-N1008 PolarHBondContact O-N 3.35Å; E1006-N1008 VanDerWaalsContact C-N 3.31Å; E1006-N1008 PolarHBondContact O-N 2.83Å; N1008-L1010 VanDerWaalsContact C-N 3.28Å; N1008-L1010 PolarHBondContact O-N 3Å; N1008-N1011 PolarHBondContact O-N 3.36Å; N1008-D1012 PolarHBondContact O-N 3.23Å |
| 1009 | R | 80.9 | Confident | 70 | Confident | 108 Ų | 108 | 107.9 Ų | 107.9 | 41% | 0.408 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -53.6 | -43.3 | 178 | -161.5 | -175 | 73.8 | 65.6 | 12.7 | 112.5 | S1005 E1006 D1012 E1013 | S1005-R1009 PolarHBondContact O-N 2.95Å; E1006-R1009 WeakPolarHBondContact O-CB 3.31Å; E1006-R1009 PolarHBondContact O-N 3.32Å; E1006-R1009 IonicContact OE1-CZ 2.01Å; E1006-R1009 IonicContact OE1-NE 2.68Å; E1006-R1009 PolarHBondContact OE1-NE 3.45Å; E1006-R1009 IonicContact OE1-NH2 2.67Å; E1006-R1009 PolarHBondContact OE1-NH2 2.89Å; E1006-R1009 IonicContact OE2-NE 3.8Å; E1006-R1009 PolarHBondContact OE2-NE 3.37Å; R1009-D1012 PolarHBondContact O-N 2.8Å; R1009-E1013 IonicContact CZ-OE1 2.96Å; R1009-E1013 IonicContact CZ-OE2 3.61Å; R1009-E1013 IonicContact NH1-OE1 2.59Å; R1009-E1013 PolarHBondContact NH1-OE1 3.29Å; R1009-E1013 IonicContact NH1-OE2 3.3Å; R1009-E1013 PolarHBondContact NH1-OE2 3.42Å; R1009-E1013 IonicContact NH2-OE2 2.83Å; R1009-E1013 PolarHBondContact O-N 2.78Å |
| 1010 | L | 67.6 | Low | 70 | Confident | 80 Ų | 80 | 108.9 Ų | 108.9 | 42% | 0.419 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.5 | -25.5 | 179.9 | -67.7 | 167.8 | 0 | 0 | 0 | 113.8 | E1006 I1007 N1008 L1014 | E1006-L1010 HydrophobicContact CG-CD1 4.43Å; E1006-L1010 WeakPolarHBondContact O-CG 3.49Å; E1006-L1010 PolarHBondContact O-N 3.29Å; E1006-L1010 VanDerWaalsContact O-N 3.11Å; I1007-L1010 PolarHBondContact O-N 2.91Å; N1008-L1010 VanDerWaalsContact C-N 3.28Å; N1008-L1010 PolarHBondContact O-N 3Å; L1010-L1014 WeakPolarHBondContact O-CG 3.49Å; L1010-L1014 PolarHBondContact O-N 3.03Å |
| 1011 | N | 66.6 | Low | 69.8 | Low | 62 Ų | 62 | 113.5 Ų | 113.5 | 33% | 0.332 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.5 | -37 | 175.1 | -81 | -105.3 | 0 | 0 | 0 | 111.4 | K596 I1007 N1008 S1015 | K596-N1011 PolarHBondContact NZ-OD1 2.74Å; I1007-N1011 PolarHBondContact O-N 3.35Å; I1007-N1011 PolarHBondContact O-ND2 3.5Å; N1008-N1011 PolarHBondContact O-N 3.36Å; N1011-S1015 PolarHBondContact O-N 3.39Å |
| 1012 | D | 75.7 | Confident | 69.3 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 60% | 0.604 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -40.1 | 178 | -67.2 | -30.3 | 0 | 0 | 0 | 111.7 | N1008 R1009 L1014 S1015 I1016 | N1008-D1012 PolarHBondContact O-N 3.23Å; R1009-D1012 PolarHBondContact O-N 2.8Å; D1012-L1014 PolarHBondContact O-N 3.01Å; D1012-S1015 WeakPolarHBondContact O-CB 3.49Å; D1012-S1015 PolarHBondContact O-N 2.82Å; D1012-I1016 PolarHBondContact O-N 3.28Å |
| 1013 | E | 74.4 | Confident | 68.9 | Low | 85 Ų | 85 | 111 Ų | 111 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.4 | -71.4 | -179.7 | 149.9 | 0 | 0 | 112.4 | R1009 S1015 I1016 L1017 | R1009-E1013 IonicContact CZ-OE1 2.96Å; R1009-E1013 IonicContact CZ-OE2 3.61Å; R1009-E1013 IonicContact NH1-OE1 2.59Å; R1009-E1013 PolarHBondContact NH1-OE1 3.29Å; R1009-E1013 IonicContact NH1-OE2 3.3Å; R1009-E1013 PolarHBondContact NH1-OE2 3.42Å; R1009-E1013 IonicContact NH2-OE2 2.83Å; R1009-E1013 PolarHBondContact O-N 2.78Å; E1013-S1015 VanDerWaalsContact C-N 3.29Å; E1013-S1015 PolarHBondContact O-N 3.08Å; E1013-I1016 PolarHBondContact O-N 3.39Å; E1013-L1017 PolarHBondContact O-N 3.21Å |
| 1014 | L | 64.3 | Low | 68.7 | Low | 118 Ų | 118 | 113.5 Ų | 113.5 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.5 | -31.1 | 176 | -73.2 | 169.9 | 0 | 0 | 0 | 113.1 | L1010 D1012 I1016 R1018 | L1010-L1014 WeakPolarHBondContact O-CG 3.49Å; L1010-L1014 PolarHBondContact O-N 3.03Å; D1012-L1014 PolarHBondContact O-N 3.01Å; L1014-I1016 VanDerWaalsContact C-N 3.31Å; L1014-I1016 PolarHBondContact O-N 2.79Å; L1014-R1018 PolarHBondContact O-N 3.19Å |
| 1015 | S | 68.6 | Low | 68.2 | Low | 70 Ų | 70 | 113.2 Ų | 113.2 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.8 | -30.4 | 177.1 | -169 | 0 | 0 | 0 | 0 | 112.8 | N1011 D1012 E1013 | N1011-S1015 PolarHBondContact O-N 3.39Å; D1012-S1015 WeakPolarHBondContact O-CB 3.49Å; D1012-S1015 PolarHBondContact O-N 2.82Å; E1013-S1015 VanDerWaalsContact C-N 3.29Å; E1013-S1015 PolarHBondContact O-N 3.08Å |
| 1016 | I | 76 | Confident | 67.5 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 57% | 0.574 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -75.4 | -50.3 | 177.8 | -63 | 171.3 | 0 | 0 | 0 | 110.4 | D1012 E1013 L1014 R1018 K1019 | D1012-I1016 PolarHBondContact O-N 3.28Å; E1013-I1016 PolarHBondContact O-N 3.39Å; L1014-I1016 VanDerWaalsContact C-N 3.31Å; L1014-I1016 PolarHBondContact O-N 2.79Å; I1016-R1018 PolarHBondContact O-N 2.82Å; I1016-K1019 PolarHBondContact O-N 2.72Å; I1016-K1019 VanDerWaalsContact O-N 3.1Å |
| 1017 | L | 64.8 | Low | 66.8 | Low | 107 Ų | 107 | 116.3 Ų | 116.3 | 56% | 0.56 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -57.3 | -34 | -177.2 | -73.2 | 166.6 | 0 | 0 | 0 | 113.1 | E1013 K1019 E1020 Y1021 | E1013-L1017 PolarHBondContact O-N 3.21Å; L1017-K1019 VanDerWaalsContact C-N 3.33Å; L1017-K1019 PolarHBondContact O-N 3.2Å; L1017-E1020 PolarHBondContact O-N 3.15Å; L1017-Y1021 PolarHBondContact O-N 2.97Å |
| 1018 | R | 67.8 | Low | 66.1 | Low | 163 Ų | 163 | 114.7 Ų | 114.7 | 62% | 0.615 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.6 | -41.4 | 178.1 | -148.6 | 176.9 | -153.5 | -98.7 | 7.3 | 112.4 | L1014 I1016 E1020 Y1021 E1022 | L1014-R1018 PolarHBondContact O-N 3.19Å; I1016-R1018 PolarHBondContact O-N 2.82Å; R1018-E1020 VanDerWaalsContact C-N 3.35Å; R1018-E1020 PolarHBondContact O-N 3.49Å; R1018-Y1021 PolarHBondContact O-N 2.96Å; R1018-E1022 PolarHBondContact O-N 2.94Å |
| 1019 | K | 70.8 | Confident | 65.3 | Low | 142 Ų | 142 | 112.8 Ų | 112.8 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.6 | -22.3 | -178.5 | -66.2 | 179.8 | 179 | 176.4 | 0 | 113.9 | I1016 L1017 | I1016-K1019 PolarHBondContact O-N 2.72Å; I1016-K1019 VanDerWaalsContact O-N 3.1Å; L1017-K1019 VanDerWaalsContact C-N 3.33Å; L1017-K1019 PolarHBondContact O-N 3.2Å |
| 1020 | E | 66.8 | Low | 64.4 | Low | 126 Ų | 126 | 113.8 Ų | 113.8 | 59% | 0.589 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -78.1 | -30.7 | 174 | -64.2 | -160.5 | 133.6 | 0 | 0 | 112.2 | L1017 R1018 | L1017-E1020 PolarHBondContact O-N 3.15Å; R1018-E1020 VanDerWaalsContact C-N 3.35Å; R1018-E1020 PolarHBondContact O-N 3.49Å |
| 1021 | Y | 59.7 | Low | 63.8 | Low | 192 Ų | 192 | 115.5 Ų | 115.5 | 75% | 0.753 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.7 | -45 | 178.6 | -149.9 | -89.2 | 0 | 0 | 0 | 111.6 | L1017 R1018 K1023 K1024 | L1017-Y1021 PolarHBondContact O-N 2.97Å; R1018-Y1021 PolarHBondContact O-N 2.96Å; Y1021-K1023 PolarHBondContact O-N 3.12Å; Y1021-K1024 PolarHBondContact O-N 3.43Å |
| 1022 | E | 62.9 | Low | 63.2 | Low | 115 Ų | 115 | 113.4 Ų | 113.4 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -54.8 | -36.9 | 177.1 | -70 | 163.8 | 178.8 | 0 | 0 | 112.3 | R1018 K1024 | R1018-E1022 PolarHBondContact O-N 2.94Å; E1022-K1024 VanDerWaalsContact C-N 3.35Å; E1022-K1024 PolarHBondContact O-N 2.78Å |
| 1023 | K | 65.7 | Low | 62.3 | Low | 176 Ų | 176 | 114.1 Ų | 114.1 | 77% | 0.765 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.1 | -23.6 | 177.7 | -82.3 | -172.4 | 173.6 | -177.2 | 0 | 115.3 | Y1021 | Y1021-K1023 PolarHBondContact O-N 3.12Å |
| 1024 | K | 59.4 | Low | 61.6 | Low | 162 Ų | 162 | 113.4 Ų | 113.4 | 70% | 0.704 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -84 | -33.2 | -178.3 | -75.1 | -175 | 176.4 | 178.1 | 0 | 112.7 | Y1021 E1022 H1026 S1027 | Y1021-K1024 PolarHBondContact O-N 3.43Å; E1022-K1024 VanDerWaalsContact C-N 3.35Å; E1022-K1024 PolarHBondContact O-N 2.78Å; K1024-H1026 VanDerWaalsContact C-N 3.31Å; K1024-H1026 PolarHBondContact O-N 2.7Å; K1024-S1027 WeakPolarHBondContact O-CB 3.31Å; K1024-S1027 PolarHBondContact O-N 2.96Å |
| 1025 | L | 58.5 | Low | 61.2 | Low | 98 Ų | 98 | 112.4 Ų | 112.4 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.6 | -45.4 | -178.7 | -168 | 67.8 | 0 | 0 | 0 | 111.6 | S1027 N1028 I1103 | L1025-S1027 PolarHBondContact O-N 3.1Å; L1025-N1028 PolarHBondContact O-N 3.22Å; L1025-N1028 VanDerWaalsContact O-N 3.17Å; L1025-I1103 HydrophobicContact CD1-CD1 4.03Å; L1025-I1103 HydrophobicContact CD2-CD1 4.07Å; L1025-I1103 HydrophobicContact CG-CD1 3.97Å |
| 1026 | H | 59.1 | Low | 60.5 | Low | 134 Ų | 134 | 114.9 Ų | 114.9 | 62% | 0.62 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.2 | -6.6 | -178.1 | -152.3 | 39.6 | 0 | 0 | 0 | 114.8 | K1024 E1029 | K1024-H1026 VanDerWaalsContact C-N 3.31Å; K1024-H1026 PolarHBondContact O-N 2.7Å; H1026-E1029 WeakPolarHBondContact CA-OE2 3.44Å; H1026-E1029 IonicContact CE1-OE2 2.66Å; H1026-E1029 IonicContact CG-OE2 3.2Å; H1026-E1029 IonicContact ND1-OE2 3.32Å; H1026-E1029 PolarHBondContact ND1-OE2 2.81Å |
| 1027 | S | 56.3 | Low | 59.9 | Low | 82 Ų | 82 | 115.7 Ų | 115.7 | 57% | 0.573 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -89.2 | -21.8 | 176.9 | -167.8 | 0 | 0 | 0 | 0 | 113.7 | K1024 L1025 | K1024-S1027 WeakPolarHBondContact O-CB 3.31Å; K1024-S1027 PolarHBondContact O-N 2.96Å; L1025-S1027 PolarHBondContact O-N 3.1Å |
| 1028 | N | 50.4 | Low | 59.6 | Low | 65 Ų | 65 | 117.1 Ų | 117.1 | 35% | 0.348 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -89 | -31.8 | -176.5 | -83.1 | 39.7 | 0 | 0 | 0 | 112.4 | L1025 L1030 H1031 S1105 | L1025-N1028 PolarHBondContact O-N 3.22Å; L1025-N1028 VanDerWaalsContact O-N 3.17Å; N1028-L1030 VanDerWaalsContact C-N 3.34Å; N1028-L1030 PolarHBondContact O-N 2.88Å; N1028-H1031 PolarHBondContact O-N 3.22Å; N1028-S1105 PolarHBondContact ND2-OG 2.87Å |
| 1029 | E | 53.9 | Low | 59.1 | Low | 58 Ų | 58 | 113.8 Ų | 113.8 | 27% | 0.271 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -53.3 | -50.4 | 174.8 | -64.8 | 168.9 | 152.8 | 0 | 0 | 111.1 | H1026 H1031 T1032 I1103 | H1026-E1029 WeakPolarHBondContact CA-OE2 3.44Å; H1026-E1029 IonicContact CE1-OE2 2.66Å; H1026-E1029 IonicContact CG-OE2 3.2Å; H1026-E1029 IonicContact ND1-OE2 3.32Å; H1026-E1029 PolarHBondContact ND1-OE2 2.81Å; E1029-H1031 VanDerWaalsContact C-N 3.28Å; E1029-H1031 PolarHBondContact O-N 2.9Å; E1029-T1032 PolarHBondContact O-N 3.49Å; E1029-I1103 HydrophobicContact CG-CB 4.48Å; E1029-I1103 HydrophobicContact CG-CD1 4.21Å; E1029-I1103 HydrophobicContact CG-CG1 3.97Å; E1029-I1103 HydrophobicContact CG-CG2 4.01Å; E1029-I1103 WeakPolarHBondContact OE1-CD1 3.37Å |
| 1030 | L | 62.4 | Low | 58.4 | Low | 129 Ų | 129 | 109.7 Ų | 109.7 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.9 | -26.4 | -178.3 | -101.5 | 162.1 | 0 | 0 | 0 | 114.8 | N1028 | N1028-L1030 VanDerWaalsContact C-N 3.34Å; N1028-L1030 PolarHBondContact O-N 2.88Å |
| 1031 | H | 55.1 | Low | 58.1 | Low | 117 Ų | 117 | 106.4 Ų | 106.4 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -78 | -42.6 | -178.1 | -170.2 | 37.9 | 0 | 0 | 0 | 111.9 | N1028 E1029 S1034 | N1028-H1031 PolarHBondContact O-N 3.22Å; E1029-H1031 VanDerWaalsContact C-N 3.28Å; E1029-H1031 PolarHBondContact O-N 2.9Å; H1031-S1034 VanDerWaalsContact O-CB 3.31Å; H1031-S1034 WeakPolarHBondContact O-CB 3.48Å; H1031-S1034 PolarHBondContact O-N 3.13Å |
| 1032 | T | 54.4 | Low | 57.9 | Low | 17 Ų | 17 | 101.9 Ų | 101.9 | 10% | 0.104 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -74 | -31.9 | -173.2 | -33.6 | 0 | 0 | 0 | 0 | 112.8 | E1029 S1034 M1035 E1036 P1104 S1105 | E1029-T1032 PolarHBondContact O-N 3.49Å; T1032-S1034 PolarHBondContact O-N 2.87Å; T1032-M1035 PolarHBondContact O-N 2.99Å; T1032-E1036 PolarHBondContact O-N 2.94Å; T1032-P1104 HydrophobicContact CG2-CB 3.7Å; T1032-P1104 HydrophobicContact CG2-CG 3.76Å; T1032-S1105 PolarHBondContact OG1-N 3.39Å |
| 1033 | M | 57.2 | Low | 57.6 | Low | 128 Ų | 128 | 105.6 Ų | 105.6 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -53.6 | -25.6 | 172 | -67.7 | -175.5 | 73.6 | 0 | 0 | 112.7 | L1037 | M1033-L1037 WeakPolarHBondContact O-CD1 3.16Å |
| 1034 | S | 59.4 | Low | 57.2 | Low | 71 Ų | 71 | 101.2 Ų | 101.2 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.5 | -32 | 175.6 | -164 | 0 | 0 | 0 | 0 | 113.7 | H1031 T1032 | H1031-S1034 VanDerWaalsContact O-CB 3.31Å; H1031-S1034 WeakPolarHBondContact O-CB 3.48Å; H1031-S1034 PolarHBondContact O-N 3.13Å; T1032-S1034 PolarHBondContact O-N 2.87Å |
| 1035 | M | 56.1 | Low | 57.3 | Low | 96 Ų | 96 | 98.7 Ų | 98.7 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.6 | -34.9 | -180 | -74 | -173.3 | 66.3 | 0 | 0 | 112.3 | T1032 L1037 E1038 L1039 | T1032-M1035 PolarHBondContact O-N 2.99Å; M1035-L1037 VanDerWaalsContact C-N 3.28Å; M1035-L1037 PolarHBondContact O-N 3.34Å; M1035-E1038 PolarHBondContact O-N 3.05Å; M1035-L1039 PolarHBondContact O-N 3.28Å; M1035-L1039 VanDerWaalsContact O-N 3.1Å |
| 1036 | E | 54.4 | Low | 57.1 | Low | 122 Ų | 122 | 99.7 Ų | 99.7 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.6 | -31.9 | 178.9 | -63.5 | -172.5 | 141 | 0 | 0 | 112 | T1032 L1039 A1040 | T1032-E1036 PolarHBondContact O-N 2.94Å; E1036-L1039 PolarHBondContact O-N 3.06Å; E1036-A1040 WeakPolarHBondContact O-CB 3.4Å; E1036-A1040 PolarHBondContact O-N 2.74Å |
| 1037 | L | 63.6 | Low | 56.9 | Low | 129 Ų | 129 | 94.5 Ų | 94.5 | 68% | 0.675 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.9 | -38.4 | 173 | -76.8 | 166.2 | 0 | 0 | 0 | 113 | M1033 M1035 S1041 | M1033-L1037 WeakPolarHBondContact O-CD1 3.16Å; M1035-L1037 VanDerWaalsContact C-N 3.28Å; M1035-L1037 PolarHBondContact O-N 3.34Å; L1037-S1041 PolarHBondContact O-N 2.92Å |
| 1038 | E | 57.4 | Low | 56.7 | Low | 137 Ų | 137 | 93.7 Ų | 93.7 | 64% | 0.64 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -71.1 | -39.7 | 175.2 | -67.1 | -170 | 134.2 | 0 | 0 | 111.9 | M1035 A1040 S1041 L1042 | M1035-E1038 PolarHBondContact O-N 3.05Å; E1038-A1040 VanDerWaalsContact C-N 3.32Å; E1038-A1040 PolarHBondContact O-N 3.36Å; E1038-S1041 PolarHBondContact O-N 3.23Å; E1038-L1042 PolarHBondContact O-N 2.69Å; E1038-L1042 VanDerWaalsContact O-N 3.17Å |
| 1039 | L | 56.8 | Low | 56.8 | Low | 94 Ų | 94 | 95.1 Ų | 95.1 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -31.7 | 175.6 | -75.3 | 168.9 | 0 | 0 | 0 | 112.9 | M1035 E1036 R1043 | M1035-L1039 PolarHBondContact O-N 3.28Å; M1035-L1039 VanDerWaalsContact O-N 3.1Å; E1036-L1039 PolarHBondContact O-N 3.06Å; L1039-R1043 WeakPolarHBondContact O-CG 3.45Å; L1039-R1043 PolarHBondContact O-N 2.78Å |
| 1040 | A | 57.9 | Low | 56.4 | Low | 55 Ų | 55 | 93.5 Ų | 93.5 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1036 E1038 L1042 R1043 E1044 | E1036-A1040 WeakPolarHBondContact O-CB 3.4Å; E1036-A1040 PolarHBondContact O-N 2.74Å; E1038-A1040 VanDerWaalsContact C-N 3.32Å; E1038-A1040 PolarHBondContact O-N 3.36Å; A1040-L1042 VanDerWaalsContact C-N 3.34Å; A1040-L1042 PolarHBondContact O-N 2.83Å; A1040-R1043 WeakPolarHBondContact O-CB 3.47Å; A1040-R1043 PolarHBondContact O-N 3.41Å; A1040-R1043 VanDerWaalsContact O-N 3.13Å; A1040-E1044 PolarHBondContact O-N 3.46Å |
| 1041 | S | 58.5 | Low | 55.7 | Low | 57 Ų | 57 | 90 Ų | 90 | 40% | 0.399 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 177.8 | 180 | 0 | 0 | 0 | 0 | 112.8 | L1037 E1038 E1044 Q1045 | L1037-S1041 PolarHBondContact O-N 2.92Å; E1038-S1041 PolarHBondContact O-N 3.23Å; S1041-E1044 PolarHBondContact O-N 3.14Å; S1041-Q1045 WeakPolarHBondContact O-CG 3.25Å; S1041-Q1045 PolarHBondContact O-N 3.38Å; S1041-Q1045 VanDerWaalsContact O-N 3.11Å; S1041-Q1045 PolarHBondContact OG-NE2 3.05Å |
| 1042 | L | 56.1 | Low | 55.3 | Low | 98 Ų | 98 | 87.9 Ų | 87.9 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.7 | -31.2 | 176.9 | -72.1 | 169.5 | 0 | 0 | 0 | 113.3 | E1038 A1040 L1046 | E1038-L1042 PolarHBondContact O-N 2.69Å; E1038-L1042 VanDerWaalsContact O-N 3.17Å; A1040-L1042 VanDerWaalsContact C-N 3.34Å; A1040-L1042 PolarHBondContact O-N 2.83Å; L1042-L1046 PolarHBondContact O-N 3.02Å; L1042-L1046 VanDerWaalsContact O-N 3.14Å |
| 1043 | R | 57.6 | Low | 54.8 | Low | 192 Ų | 192 | 91.6 Ų | 91.6 | 73% | 0.725 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.3 | -40.2 | 173.2 | -75.9 | 173.7 | 175.9 | 175 | 0.7 | 111.9 | L1039 A1040 L1046 H1047 | L1039-R1043 WeakPolarHBondContact O-CG 3.45Å; L1039-R1043 PolarHBondContact O-N 2.78Å; A1040-R1043 WeakPolarHBondContact O-CB 3.47Å; A1040-R1043 PolarHBondContact O-N 3.41Å; A1040-R1043 VanDerWaalsContact O-N 3.13Å; R1043-L1046 PolarHBondContact O-N 3.34Å; R1043-H1047 WeakPolarHBondContact O-CB 3.47Å; R1043-H1047 PolarHBondContact O-N 3.17Å |
| 1044 | E | 57.5 | Low | 54 | Low | 84 Ų | 84 | 88.6 Ų | 88.6 | 39% | 0.393 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 175.9 | -168.3 | 151.7 | -121.5 | 0 | 0 | 110.9 | A1040 S1041 L1046 H1047 T1048 S1560 N1561 | A1040-E1044 PolarHBondContact O-N 3.46Å; S1041-E1044 PolarHBondContact O-N 3.14Å; E1044-L1046 PolarHBondContact O-N 3.17Å; E1044-H1047 WeakPolarHBondContact O-CB 3.08Å; E1044-H1047 PolarHBondContact O-N 3.46Å; E1044-T1048 PolarHBondContact O-N 3.01Å; E1044-T1048 PolarHBondContact O-OG1 2.79Å; E1044-S1560 VanDerWaalsContact OE1-CA 3.29Å; E1044-S1560 WeakPolarHBondContact OE1-CA 3.49Å; E1044-S1560 WeakPolarHBondContact OE1-CB 3.33Å; E1044-N1561 PolarHBondContact OE1-N 3.25Å |
| 1045 | Q | 61.2 | Low | 52.8 | Low | 109 Ų | 109 | 91.3 Ų | 91.3 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 174.6 | -68.8 | 172.4 | 39.6 | 0 | 0 | 113.3 | S1041 T1048 I1049 | S1041-Q1045 WeakPolarHBondContact O-CG 3.25Å; S1041-Q1045 PolarHBondContact O-N 3.38Å; S1041-Q1045 VanDerWaalsContact O-N 3.11Å; S1041-Q1045 PolarHBondContact OG-NE2 3.05Å; Q1045-T1048 PolarHBondContact O-N 3.31Å; Q1045-I1049 WeakPolarHBondContact O-CG1 3.35Å; Q1045-I1049 PolarHBondContact O-N 3.29Å; Q1045-I1049 VanDerWaalsContact O-N 3.1Å |
| 1046 | L | 54.1 | Low | 51.9 | Low | 120 Ų | 120 | 90.6 Ų | 90.6 | 63% | 0.628 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.2 | -34.6 | 175.3 | -86 | 165.1 | 0 | 0 | 0 | 112.8 | L1042 R1043 E1044 S1050 | L1042-L1046 PolarHBondContact O-N 3.02Å; L1042-L1046 VanDerWaalsContact O-N 3.14Å; R1043-L1046 PolarHBondContact O-N 3.34Å; E1044-L1046 PolarHBondContact O-N 3.17Å; L1046-S1050 PolarHBondContact O-N 2.8Å; L1046-S1050 VanDerWaalsContact O-N 3.12Å |
| 1047 | H | 54.9 | Low | 51 | Low | 25 Ų | 25 | 93.2 Ų | 93.2 | 12% | 0.116 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 175 | -171.2 | -160.2 | 0 | 0 | 0 | 110.7 | R1043 E1044 I1049 S1050 I1051 E1558 S1560 | R1043-H1047 WeakPolarHBondContact O-CB 3.47Å; R1043-H1047 PolarHBondContact O-N 3.17Å; E1044-H1047 WeakPolarHBondContact O-CB 3.08Å; E1044-H1047 PolarHBondContact O-N 3.46Å; H1047-I1049 PolarHBondContact O-N 2.91Å; H1047-S1050 WeakPolarHBondContact O-CA 3.24Å; H1047-S1050 VanDerWaalsContact O-CB 3.3Å; H1047-S1050 WeakPolarHBondContact O-CB 3.4Å; H1047-S1050 PolarHBondContact O-N 3.29Å; H1047-I1051 PolarHBondContact O-N 2.57Å; H1047-E1558 HydrophobicContact CB-CB 3.38Å; H1047-E1558 VanDerWaalsContact CB-CD 3.41Å; H1047-E1558 HydrophobicContact CB-CG 3.47Å; H1047-E1558 VanDerWaalsContact CB-CG 3.47Å; H1047-E1558 WeakPolarHBondContact CB-OE1 3.44Å; H1047-E1558 WeakPolarHBondContact CD2-CB 3.42Å; H1047-E1558 WeakPolarHBondContact CD2-CG 3.31Å; H1047-E1558 WeakPolarHBondContact CE1-CA 3.27Å; H1047-E1558 WeakPolarHBondContact CE1-CB 3.27Å; H1047-E1558 WeakPolarHBondContact CE1-CG 3.33Å; H1047-E1558 PolarHBondContact CE1-N 3.13Å; H1047-E1558 PolarHBondContact CE1-O 3.01Å; H1047-E1558 IonicContact CE1-OE1 2.66Å; H1047-E1558 IonicContact CG-OE1 3.07Å; H1047-E1558 IonicContact CG-OE2 3.86Å; H1047-E1558 WeakPolarHBondContact ND1-CA 3.46Å; H1047-E1558 WeakPolarHBondContact ND1-CB 3.15Å; H1047-E1558 WeakPolarHBondContact ND1-CG 3.3Å; H1047-E1558 IonicContact ND1-OE1 2.62Å; H1047-E1558 PolarHBondContact ND1-OE1 2.85Å; H1047-E1558 WeakPolarHBondContact NE2-CA 3.4Å; H1047-E1558 WeakPolarHBondContact NE2-CB 3.46Å; H1047-E1558 WeakPolarHBondContact NE2-CG 3.46Å; H1047-E1558 PolarHBondContact NE2-N 3.36Å; H1047-S1560 WeakPolarHBondContact ND1-CB 3.44Å; H1047-S1560 PolarHBondContact ND1-N 2.98Å; H1047-S1560 PolarHBondContact ND1-OG 3.39Å |
| 1048 | T | 51.1 | Low | 49.3 | Very low | 65 Ų | 65 | 95.3 Ų | 95.3 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | 179 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | E1044 Q1045 S1050 T1052 E1558 | E1044-T1048 PolarHBondContact O-N 3.01Å; E1044-T1048 PolarHBondContact O-OG1 2.79Å; Q1045-T1048 PolarHBondContact O-N 3.31Å; T1048-S1050 VanDerWaalsContact C-N 3.26Å; T1048-S1050 PolarHBondContact O-N 2.98Å; T1048-T1052 HydrophobicContact CG2-CG2 4.45Å; T1048-T1052 WeakPolarHBondContact O-CB 3.48Å; T1048-T1052 WeakPolarHBondContact O-CG2 3.39Å; T1048-T1052 PolarHBondContact O-N 3.45Å; T1048-T1052 PolarHBondContact O-OG1 3.3Å; T1048-E1558 WeakPolarHBondContact CA-OE2 3.43Å; T1048-E1558 PolarHBondContact N-OE1 3.37Å; T1048-E1558 PolarHBondContact N-OE2 3.45Å; T1048-E1558 PolarHBondContact OG1-OE1 2.86Å; T1048-E1558 PolarHBondContact OG1-OE2 3.48Å |
| 1049 | I | 53.5 | Low | 47.9 | Very low | 95 Ų | 95 | 91.5 Ų | 91.5 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 169.6 | -68.9 | 166 | 0 | 0 | 0 | 110.9 | Q1045 H1047 T1052 N1053 | Q1045-I1049 WeakPolarHBondContact O-CG1 3.35Å; Q1045-I1049 PolarHBondContact O-N 3.29Å; Q1045-I1049 VanDerWaalsContact O-N 3.1Å; H1047-I1049 PolarHBondContact O-N 2.91Å; I1049-T1052 WeakPolarHBondContact CA-OG1 3.44Å; I1049-T1052 PolarHBondContact O-OG1 3.09Å; I1049-N1053 WeakPolarHBondContact O-CB 3.25Å; I1049-N1053 PolarHBondContact O-N 2.73Å; I1049-N1053 VanDerWaalsContact O-N 3.1Å; I1049-N1053 PolarHBondContact O-ND2 3.12Å |
| 1050 | S | 45.8 | Very low | 46.6 | Very low | 24 Ų | 24 | 93.7 Ų | 93.7 | 17% | 0.168 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -74.4 | -42.8 | 179.9 | -159.4 | 0 | 0 | 0 | 0 | 113.1 | L1046 H1047 T1048 S1054 N1556 | L1046-S1050 PolarHBondContact O-N 2.8Å; L1046-S1050 VanDerWaalsContact O-N 3.12Å; H1047-S1050 WeakPolarHBondContact O-CA 3.24Å; H1047-S1050 VanDerWaalsContact O-CB 3.3Å; H1047-S1050 WeakPolarHBondContact O-CB 3.4Å; H1047-S1050 PolarHBondContact O-N 3.29Å; T1048-S1050 VanDerWaalsContact C-N 3.26Å; T1048-S1050 PolarHBondContact O-N 2.98Å; S1050-S1054 WeakPolarHBondContact O-CB 3.43Å; S1050-S1054 PolarHBondContact O-N 3.24Å; S1050-S1054 PolarHBondContact O-OG 3.35Å; S1050-N1556 PolarHBondContact OG-ND2 3.06Å; S1050-N1556 VanDerWaalsContact OG-ND2 3.16Å; S1050-N1556 PolarHBondContact OG-OD1 2.88Å |
| 1051 | I | 47.5 | Very low | 45.1 | Very low | 54 Ų | 54 | 98.4 Ų | 98.4 | 28% | 0.277 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.1 | -39.9 | 174 | -82.7 | -168.8 | 0 | 0 | 0 | 111.8 | H1047 N1053 S1054 L1055 E1558 | H1047-I1051 PolarHBondContact O-N 2.57Å; I1051-N1053 PolarHBondContact O-N 3.4Å; I1051-S1054 CarbonylContact O-C 2.99Å; I1051-S1054 PolarHBondContact O-N 2.77Å; I1051-S1054 VanDerWaalsContact O-N 3.15Å; I1051-L1055 HydrophobicContact CG2-CD1 3.7Å; I1051-L1055 HydrophobicContact CG2-CG 4.4Å; I1051-L1055 WeakPolarHBondContact O-CB 3.22Å; I1051-L1055 WeakPolarHBondContact O-CG 3.44Å; I1051-L1055 PolarHBondContact O-N 2.93Å; I1051-E1558 HydrophobicContact CB-CG 4.38Å; I1051-E1558 HydrophobicContact CD1-CG 3.45Å; I1051-E1558 VanDerWaalsContact CD1-CG 3.45Å; I1051-E1558 HydrophobicContact CG1-CG 3.82Å |
| 1052 | T | 46.9 | Very low | 43.5 | Very low | 73 Ų | 73 | 99 Ų | 99 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 176.5 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | T1048 I1049 S1054 L1055 S1056 | T1048-T1052 HydrophobicContact CG2-CG2 4.45Å; T1048-T1052 WeakPolarHBondContact O-CB 3.48Å; T1048-T1052 WeakPolarHBondContact O-CG2 3.39Å; T1048-T1052 PolarHBondContact O-N 3.45Å; T1048-T1052 PolarHBondContact O-OG1 3.3Å; I1049-T1052 WeakPolarHBondContact CA-OG1 3.44Å; I1049-T1052 PolarHBondContact O-OG1 3.09Å; T1052-S1054 VanDerWaalsContact C-N 3.33Å; T1052-S1054 PolarHBondContact O-N 3.41Å; T1052-L1055 PolarHBondContact O-N 3.44Å; T1052-S1056 VanDerWaalsContact O-CB 3.25Å; T1052-S1056 WeakPolarHBondContact O-CB 3.47Å; T1052-S1056 PolarHBondContact O-N 3.23Å; T1052-S1056 PolarHBondContact O-OG 3.07Å |
| 1053 | N | 42.7 | Very low | 42.1 | Very low | 95 Ų | 95 | 99.3 Ų | 99.3 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -36 | 171.5 | -80.7 | -68.7 | 0 | 0 | 0 | 112.4 | I1049 I1051 L1055 | I1049-N1053 WeakPolarHBondContact O-CB 3.25Å; I1049-N1053 PolarHBondContact O-N 2.73Å; I1049-N1053 VanDerWaalsContact O-N 3.1Å; I1049-N1053 PolarHBondContact O-ND2 3.12Å; I1051-N1053 PolarHBondContact O-N 3.4Å; N1053-L1055 VanDerWaalsContact C-N 3.29Å; N1053-L1055 PolarHBondContact O-N 3.1Å |
| 1054 | S | 40.8 | Very low | 40.6 | Very low | 65 Ų | 65 | 95.7 Ų | 95.7 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.2 | -21.4 | 177.7 | -56.3 | 0 | 0 | 0 | 0 | 113.6 | S1050 I1051 T1052 | S1050-S1054 WeakPolarHBondContact O-CB 3.43Å; S1050-S1054 PolarHBondContact O-N 3.24Å; S1050-S1054 PolarHBondContact O-OG 3.35Å; I1051-S1054 CarbonylContact O-C 2.99Å; I1051-S1054 PolarHBondContact O-N 2.77Å; I1051-S1054 VanDerWaalsContact O-N 3.15Å; T1052-S1054 VanDerWaalsContact C-N 3.33Å; T1052-S1054 PolarHBondContact O-N 3.41Å |
| 1055 | L | 35.2 | Very low | 39 | Very low | 128 Ų | 128 | 97.7 Ų | 97.7 | 67% | 0.67 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -107.7 | 1.2 | 180 | -67.9 | 175.2 | 0 | 0 | 0 | 114.4 | I1051 T1052 N1053 | I1051-L1055 HydrophobicContact CG2-CD1 3.7Å; I1051-L1055 HydrophobicContact CG2-CG 4.4Å; I1051-L1055 WeakPolarHBondContact O-CB 3.22Å; I1051-L1055 WeakPolarHBondContact O-CG 3.44Å; I1051-L1055 PolarHBondContact O-N 2.93Å; T1052-L1055 PolarHBondContact O-N 3.44Å; N1053-L1055 VanDerWaalsContact C-N 3.29Å; N1053-L1055 PolarHBondContact O-N 3.1Å |
| 1056 | S | 36.7 | Very low | 37.3 | Very low | 82 Ų | 82 | 97.8 Ų | 97.8 | 57% | 0.573 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -117.7 | 0.8 | -178.3 | 59.2 | 0 | 0 | 0 | 0 | 115.6 | T1052 | T1052-S1056 VanDerWaalsContact O-CB 3.25Å; T1052-S1056 WeakPolarHBondContact O-CB 3.47Å; T1052-S1056 PolarHBondContact O-N 3.23Å; T1052-S1056 PolarHBondContact O-OG 3.07Å |
| 1057 | Q | 34.9 | Very low | 35.8 | Very low | 177 Ų | 177 | 95.8 Ų | 95.8 | 83% | 0.827 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -113.2 | 9.7 | 164.8 | -67.6 | -168 | -3.5 | 0 | 0 | 113.7 | ||
| 1058 | Q | 28.3 | Very low | 34.3 | Very low | 172 Ų | 172 | 101.3 Ų | 101.3 | 80% | 0.804 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -99.4 | 82.6 | 156.8 | -73 | -166.1 | -10.6 | 0 | 0 | 109.2 | ||
| 1059 | G | 27.6 | Very low | 33 | Very low | 58 Ų | 58 | 103 Ų | 103 | 60% | 0.598 | 60% | 0.597 | S | S | * | * | trans | 179.7 | 117.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1060 | I | 29.4 | Very low | 31.6 | Very low | 140 Ų | 140 | 108.7 Ų | 108.7 | 72% | 0.718 | 61% | 0.612 | S | S | * | * | trans | 70.9 | 131.4 | 153.2 | -50.1 | 164.5 | 0 | 0 | 0 | 115 | N1062 | I1060-N1062 HydrophobicContact CG1-CB 4.44Š| ||
| 1061 | D | 26.2 | Very low | 30.7 | Very low | 153 Ų | 153 | 114.2 Ų | 114.2 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | cis | -84.6 | 145.6 | 1.2 | -47.7 | -57.3 | 0 | 0 | 0 | 111.9 | ||||
| 1062 | N | 26.6 | Very low | 29.8 | Very low | 69 Ų | 69 | 118.4 Ų | 118.4 | 37% | 0.369 | 65% | 0.653 | S | S | . | * | cis | 45.9 | 84 | -2.4 | -68.2 | 21.8 | 0 | 0 | 0 | 117.2 | I1060 S1572 P1573 | I1060-N1062 HydrophobicContact CG1-CB 4.44Å; N1062-S1572 PolarHBondContact ND2-O 3.45Å; N1062-S1572 VanDerWaalsContact ND2-O 3.1Å; N1062-P1573 PolarHBondContact ND2-O 2.94Å | ||
| 1063 | N | 26.4 | Very low | 28.9 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 57% | 0.567 | 66% | 0.661 | S | S | * | * | 174.2 | 143.2 | 99.1 | -86.7 | -20.2 | 0 | 0 | 0 | 116.2 | |||||
| 1064 | E | 25.6 | Very low | 28.3 | Very low | 115 Ų | 115 | 123 Ų | 123 | 54% | 0.537 | 67% | 0.67 | S | S | . | * | trans | 56.2 | 104.5 | 136.4 | -64.4 | -176.7 | 160.5 | 0 | 0 | 122 | I1066 I1574 | E1064-I1066 VanDerWaalsContact C-N 3.35Å; E1064-I1066 HydrophobicContact CB-CD1 4.22Å; E1064-I1066 HydrophobicContact CB-CG1 4Å; E1064-I1066 VanDerWaalsContact CD-CD1 3.44Å; E1064-I1066 HydrophobicContact CG-CD1 3.92Å; E1064-I1066 HydrophobicContact CG-CG1 4.21Å; E1064-I1066 PolarHBondContact O-N 3.48Å; E1064-I1066 VanDerWaalsContact O-N 3.17Å; E1064-I1066 WeakPolarHBondContact OE1-CD1 3.4Å; E1064-I1574 HydrophobicContact CG-CD1 4.01Å | ||
| 1065 | S | 23.3 | Very low | 27.8 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 89% | 0.888 | 68% | 0.679 | S | S | * | * | trans | -75.4 | 79.2 | 145 | 60 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1066 | I | 25.7 | Very low | 27.4 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 56% | 0.564 | 69% | 0.685 | S | S | * | * | trans | -112 | 78.5 | 171.1 | -61.1 | -178.7 | 0 | 0 | 0 | 111.1 | E1064 L1068 | E1064-I1066 VanDerWaalsContact C-N 3.35Å; E1064-I1066 HydrophobicContact CB-CD1 4.22Å; E1064-I1066 HydrophobicContact CB-CG1 4Å; E1064-I1066 VanDerWaalsContact CD-CD1 3.44Å; E1064-I1066 HydrophobicContact CG-CD1 3.92Å; E1064-I1066 HydrophobicContact CG-CG1 4.21Å; E1064-I1066 PolarHBondContact O-N 3.48Å; E1064-I1066 VanDerWaalsContact O-N 3.17Å; E1064-I1066 WeakPolarHBondContact OE1-CD1 3.4Å; I1066-L1068 WeakPolarHBondContact CG2-O 3.35Å; I1066-L1068 PolarHBondContact O-N 3.18Å | ||
| 1067 | G | 23.1 | Very low | 27.6 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 69% | 0.693 | S | S | * | * | trans | -81.4 | 29.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1068 | L | 23.8 | Very low | 27.6 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | trans | -120.9 | 106.4 | 165.9 | -75.3 | 177 | 0 | 0 | 0 | 108.2 | I1066 | I1066-L1068 WeakPolarHBondContact CG2-O 3.35Å; I1066-L1068 PolarHBondContact O-N 3.18Å | ||
| 1069 | S | 23.6 | Very low | 27.5 | Very low | 100 Ų | 100 | 121 Ų | 121 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | 44.6 | 87.4 | 82.8 | -70 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1070 | R | 23.9 | Very low | 27.7 | Very low | 215 Ų | 215 | 125.5 Ų | 125.5 | 81% | 0.811 | 68% | 0.678 | S | S | * | * | 65.7 | 126.3 | 123.5 | -87.1 | 178.8 | 170.7 | 165.6 | -0.3 | 119.2 | |||||
| 1071 | H | 27.4 | Very low | 27.6 | Very low | 140 Ų | 140 | 125 Ų | 125 | 65% | 0.648 | 67% | 0.673 | S | S | * | * | trans | 80.7 | 115.2 | 140.7 | -72.9 | -60.3 | 0 | 0 | 0 | 119.7 | ||||
| 1072 | H | 28.7 | Very low | 27.7 | Very low | 141 Ų | 141 | 125.1 Ų | 125.1 | 65% | 0.653 | 67% | 0.668 | S | S | * | * | trans | 82.3 | 112.3 | 132.7 | -74 | -53.6 | 0 | 0 | 0 | 120.3 | ||||
| 1073 | N | 27.3 | Very low | 27.8 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | 86.7 | 111.4 | 123.5 | -67.2 | 6 | 0 | 0 | 0 | 118.4 | |||||
| 1074 | H | 30.2 | Very low | 27.9 | Very low | 148 Ų | 148 | 125.9 Ų | 125.9 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | 95.3 | 123.6 | 122.3 | -79.4 | -29.2 | 0 | 0 | 0 | 119.4 | |||||
| 1075 | Q | 29.1 | Very low | 28 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 66% | 0.659 | 68% | 0.681 | S | S | * | * | 81.9 | 88.9 | 129.8 | -68.4 | 171.8 | 21.9 | 0 | 0 | 117.7 | |||||
| 1076 | N | 27.8 | Very low | 28.2 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 67% | 0.671 | S | S | * | * | 84 | 161.4 | 111.3 | -73.8 | -3 | 0 | 0 | 0 | 117.7 | |||||
| 1077 | P | 41.1 | Very low | 28.3 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 67% | 0.674 | S | S | * | * | trans | -103.8 | -138.9 | -162.6 | 32.2 | -10 | 0 | 0 | 0 | 106.9 | ||||
| 1078 | P | 34.3 | Very low | 28.6 | Very low | 100 Ų | 100 | 130 Ų | 130 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | cis | -149.8 | 165.9 | 8.3 | 44.5 | -23.1 | 0 | 0 | 0 | 120.1 | ||||
| 1079 | S | 27.2 | Very low | 28.7 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 57% | 0.566 | 66% | 0.663 | S | S | * | * | trans | 68.7 | 163.2 | 132.7 | 69.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1080 | H | 31.6 | Very low | 28.9 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 70% | 0.704 | 66% | 0.66 | S | S | * | * | trans | 77.6 | 139.7 | 150.8 | -65.5 | -21.4 | 0 | 0 | 0 | 116.7 | ||||
| 1081 | Q | 27.6 | Very low | 29.1 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 61% | 0.607 | 65% | 0.653 | S | S | * | * | cis | -152.4 | 159.1 | -4.5 | -128.2 | 158.7 | -11.3 | 0 | 0 | 113.1 | ||||
| 1082 | Q | 27.7 | Very low | 29.2 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 73% | 0.729 | 66% | 0.657 | S | S | * | * | trans | 23.1 | 139 | 136.1 | -73.6 | 169 | -5.3 | 0 | 0 | 119.8 | ||||
| 1083 | S | 28 | Very low | 29.4 | Very low | 81 Ų | 81 | 126.4 Ų | 126.4 | 57% | 0.566 | 66% | 0.658 | S | S | * | * | cis | 173.9 | -179.5 | 0.7 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1084 | N | 28.2 | Very low | 29.3 | Very low | 110 Ų | 110 | 127 Ų | 127 | 59% | 0.588 | 66% | 0.661 | S | S | * | * | trans | 85.9 | 104.5 | 131.3 | -78.7 | -9.3 | 0 | 0 | 0 | 120.8 | ||||
| 1085 | Q | 28.9 | Very low | 29.1 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 58% | 0.579 | 66% | 0.662 | S | S | * | * | 68.9 | 173.7 | 119.1 | -60.5 | 159.8 | -22.8 | 0 | 0 | 116.1 | |||||
| 1086 | Y | 27.2 | Very low | 29.1 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | cis | -119.3 | 129 | -7.3 | -100.7 | -85.4 | 0 | 0 | 0 | 106 | ||||
| 1087 | C | 27 | Very low | 29 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 63% | 0.628 | 67% | 0.668 | S | S | * | * | 67.9 | 165.1 | 94.1 | -78.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1088 | H | 30.1 | Very low | 28.3 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 59% | 0.593 | 67% | 0.67 | S | S | * | * | cis | -125.1 | 145.3 | -0.3 | -94.9 | -37.6 | 0 | 0 | 0 | 108.5 | ||||
| 1089 | R | 26.8 | Very low | 27.9 | Very low | 196 Ų | 196 | 129.1 Ų | 129.1 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | 70.8 | 146.3 | 58.5 | -155.4 | -151.2 | -152.1 | 165.2 | 5.2 | 111.9 | |||||
| 1090 | N | 27.5 | Very low | 27.7 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | trans | 77.4 | 145.3 | 166.1 | -65.3 | -11.1 | 0 | 0 | 0 | 117.8 | ||||
| 1091 | N | 27.6 | Very low | 27.4 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 67% | 0.668 | 67% | 0.672 | S | S | * | * | cis | -173.8 | 160.3 | -30.7 | -126.6 | 0.3 | 0 | 0 | 0 | 110.2 | ||||
| 1092 | T | 29.4 | Very low | 27.5 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 73% | 0.73 | 68% | 0.676 | S | S | * | * | trans | 65.9 | 173.3 | 150.2 | 60.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1093 | P | 33.5 | Very low | 27.4 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | -137.9 | -145.4 | -96.1 | 32.6 | -6.6 | 0 | 0 | 0 | 111.6 | |||||
| 1094 | L | 24.8 | Very low | 27.6 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 69% | 0.686 | 65% | 0.654 | S | S | * | * | trans | 75.8 | 120.5 | 157 | -66.1 | 156.5 | 0 | 0 | 0 | 117.7 | ||||
| 1095 | N | 26.5 | Very low | 27.5 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 71% | 0.706 | 64% | 0.641 | S | S | * | * | 45.9 | 123.6 | 125.9 | -50.8 | 0.8 | 0 | 0 | 0 | 118.2 | |||||
| 1096 | K | 27.9 | Very low | 27.9 | Very low | 190 Ų | 190 | 117.7 Ų | 117.7 | 83% | 0.826 | 64% | 0.641 | S | S | * | * | -168.2 | 153.6 | 83.8 | -98.5 | 167.3 | -174.4 | 175.2 | 0 | 112.2 | |||||
| 1097 | S | 26.8 | Very low | 28.2 | Very low | 108 Ų | 108 | 116.3 Ų | 116.3 | 76% | 0.755 | 64% | 0.643 | S | S | * | * | trans | 55.2 | 132.3 | 150.8 | 53.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1098 | V | 25.5 | Very low | 28 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 78% | 0.776 | 64% | 0.643 | S | S | * | * | cis | -155.4 | 151 | -0.4 | 111.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1099 | L | 25.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 117.1 Ų | 117.1 | 71% | 0.707 | 65% | 0.65 | S | S | * | * | trans | 17.5 | 115.4 | 158.7 | -51.6 | 170.1 | 0 | 0 | 0 | 116.4 | ||||
| 1100 | T | 23.9 | Very low | 27.6 | Very low | 107 Ų | 107 | 114.6 Ų | 114.6 | 66% | 0.656 | 65% | 0.651 | S | S | * | * | 56.1 | 148.9 | 65.1 | 84.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1101 | S | 26 | Very low | 27.4 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | cis | -156.7 | 136.6 | 13.6 | -1.1 | 0 | 0 | 0 | 0 | 110.8 | I1103 | S1101-I1103 PolarHBondContact O-N 3.14Š| ||
| 1102 | D | 29.3 | Very low | 27.2 | Very low | 129 Ų | 129 | 114.2 Ų | 114.2 | 69% | 0.69 | 65% | 0.649 | S | S | * | * | 37.4 | 83.8 | 105.5 | -31.2 | -44.7 | 0 | 0 | 0 | 116.9 | |||||
| 1103 | I | 25.6 | Very low | 26.9 | Very low | 84 Ų | 84 | 114.2 Ų | 114.2 | 43% | 0.431 | 64% | 0.644 | S | S | . | * | trans | -139.3 | 116.9 | 143.6 | -51 | -174.5 | 0 | 0 | 0 | 108.7 | L1025 E1029 S1101 | L1025-I1103 HydrophobicContact CD1-CD1 4.03Å; L1025-I1103 HydrophobicContact CD2-CD1 4.07Å; L1025-I1103 HydrophobicContact CG-CD1 3.97Å; E1029-I1103 HydrophobicContact CG-CB 4.48Å; E1029-I1103 HydrophobicContact CG-CD1 4.21Å; E1029-I1103 HydrophobicContact CG-CG1 3.97Å; E1029-I1103 HydrophobicContact CG-CG2 4.01Å; E1029-I1103 WeakPolarHBondContact OE1-CD1 3.37Å; S1101-I1103 PolarHBondContact O-N 3.14Å | ||
| 1104 | P | 31 | Very low | 26.3 | Very low | 61 Ų | 61 | 116 Ų | 116 | 40% | 0.396 | 65% | 0.647 | S | S | . | * | trans | -108.3 | -140.9 | 177.2 | 4.9 | 19.8 | 0 | 0 | 0 | 111.3 | T1032 | T1032-P1104 HydrophobicContact CG2-CB 3.7Å; T1032-P1104 HydrophobicContact CG2-CG 3.76Å | ||
| 1105 | S | 27.6 | Very low | 26.2 | Very low | 44 Ų | 44 | 116.1 Ų | 116.1 | 31% | 0.308 | 65% | 0.646 | S | S | . | * | trans | 94.6 | 127 | 174.9 | 74.7 | 0 | 0 | 0 | 0 | 118 | N1028 T1032 | N1028-S1105 PolarHBondContact ND2-OG 2.87Å; T1032-S1105 PolarHBondContact OG1-N 3.39Å | ||
| 1106 | S | 37.6 | Very low | 26 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 58% | 0.58 | 63% | 0.634 | S | S | * | * | trans | -54.1 | 155 | 162.2 | 48.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1107 | I | 31.7 | Very low | 25.8 | Very low | 142 Ų | 142 | 108.2 Ų | 108.2 | 73% | 0.728 | 62% | 0.616 | S | S | * | * | trans | -171.1 | 123.6 | 136.5 | -104 | 157.9 | 0 | 0 | 0 | 112 | ||||
| 1108 | T | 23.5 | Very low | 25.6 | Very low | 102 Ų | 102 | 107 Ų | 107 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | trans | 42 | 130.7 | 154.6 | 67.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1109 | N | 25.2 | Very low | 25.6 | Very low | 137 Ų | 137 | 105.4 Ų | 105.4 | 73% | 0.733 | 59% | 0.587 | S | S | * | * | 48.8 | 122.3 | 123.2 | -40.3 | -3.4 | 0 | 0 | 0 | 117.5 | |||||
| 1110 | N | 23.3 | Very low | 25.6 | Very low | 142 Ų | 142 | 102.8 Ų | 102.8 | 76% | 0.759 | 57% | 0.574 | S | S | * | * | cis | -138.9 | 141.9 | 48.6 | -84.6 | -15.6 | 0 | 0 | 0 | 110.3 | ||||
| 1111 | D | 23.6 | Very low | 25.7 | Very low | 121 Ų | 121 | 100.4 Ų | 100.4 | 65% | 0.647 | 57% | 0.571 | S | S | * | * | 62.3 | 133.2 | 60.8 | -154.9 | 44.3 | 0 | 0 | 0 | 111.9 | |||||
| 1112 | N | 23.8 | Very low | 25.7 | Very low | 114 Ų | 114 | 101.5 Ų | 101.5 | 61% | 0.61 | 57% | 0.57 | S | S | * | * | trans | 46.3 | 97.7 | 152.4 | -69 | -36.7 | 0 | 0 | 0 | 119.2 | ||||
| 1113 | N | 21.6 | Very low | 25.5 | Very low | 118 Ų | 118 | 96.4 Ų | 96.4 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | 173.1 | 148.3 | 89.3 | -85.3 | -31.6 | 0 | 0 | 0 | 112.2 | |||||
| 1114 | I | 22 | Very low | 25.5 | Very low | 142 Ų | 142 | 95.8 Ų | 95.8 | 73% | 0.728 | 54% | 0.543 | S | S | * | . | 46.4 | 145.8 | 82 | -32.1 | 168 | 0 | 0 | 0 | 112.9 | |||||
| 1115 | I | 21.5 | Very low | 25.2 | Very low | 133 Ų | 133 | 96.6 Ų | 96.6 | 68% | 0.682 | 54% | 0.544 | S | S | * | . | trans | 93.7 | 107.7 | 163.4 | -52.9 | -178.2 | 0 | 0 | 0 | 114.3 | ||||
| 1116 | T | 22.8 | Very low | 25 | Very low | 71 Ų | 71 | 96.7 Ų | 96.7 | 44% | 0.436 | 54% | 0.544 | S | S | . | . | cis | -174.9 | 146.8 | -6.6 | 27.9 | 0 | 0 | 0 | 0 | 112.3 | E554 | E554-T1116 VanDerWaalsContact CD-C 3.43Å; E554-T1116 WeakPolarHBondContact OE1-CA 3.09Å; E554-T1116 PolarHBondContact OE1-N 2.93Å; E554-T1116 VanDerWaalsContact OE1-N 3.11Å | ||
| 1117 | N | 23.3 | Very low | 24.3 | Very low | 85 Ų | 85 | 97.5 Ų | 97.5 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | 80.2 | 154.1 | 128.9 | -80.4 | -12.7 | 0 | 0 | 0 | 121.5 | E554 N555 | E554-N1117 PolarHBondContact OE1-N 3.41Å; E554-N1117 VanDerWaalsContact OE1-N 3.15Å; N555-N1117 WeakPolarHBondContact CB-O 3.24Å; N555-N1117 PolarHBondContact ND2-O 3.22Å | |||
| 1118 | I | 24 | Very low | 23.9 | Very low | 84 Ų | 84 | 96 Ų | 96 | 43% | 0.431 | 53% | 0.534 | S | S | . | . | trans | 93.4 | 78 | 139.4 | -80.9 | 155.2 | 0 | 0 | 0 | 114.1 | N555 | N555-I1118 WeakPolarHBondContact CB-O 3.46Å; N555-I1118 WeakPolarHBondContact ND2-CB 3.04Å; N555-I1118 WeakPolarHBondContact ND2-CG2 3.37Å | ||
| 1119 | N | 24.5 | Very low | 24 | Very low | 93 Ų | 93 | 95.7 Ų | 95.7 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | 92.4 | 116.8 | 102.7 | -75.7 | -1 | 0 | 0 | 0 | 120.4 | Q553 | Q553-N1119 PolarHBondContact NE2-OD1 3.4Š| |||
| 1120 | N | 25.5 | Very low | 23.9 | Very low | 80 Ų | 80 | 96.7 Ų | 96.7 | 43% | 0.428 | 54% | 0.537 | S | S | . | . | 64.8 | 65.7 | 114.8 | -48.9 | -12.4 | 0 | 0 | 0 | 119.2 | Q551 Q553 | Q551-N1120 PolarHBondContact NE2-OD1 3.03Å; Q553-N1120 PolarHBondContact NE2-OD1 3.45Å | |||
| 1121 | G | 26 | Very low | 23.9 | Very low | 58 Ų | 58 | 95.4 Ų | 95.4 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | 67.9 | -142.8 | 122.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1122 | N | 26.2 | Very low | 23.9 | Very low | 109 Ų | 109 | 98.9 Ų | 98.9 | 58% | 0.583 | 55% | 0.549 | S | S | * | . | cis | -148.9 | 136.8 | 9.7 | -115.9 | 11.7 | 0 | 0 | 0 | 107.4 | ||||
| 1123 | N | 25.7 | Very low | 23.8 | Very low | 22 Ų | 22 | 98 Ų | 98 | 12% | 0.118 | 55% | 0.552 | C | S | . | * | 113 | 84.9 | 53.4 | 173.1 | 25.5 | 0 | 0 | 0 | 111.3 | N1342 I1343 | N1123-N1342 PolarHBondContact ND2-OD1 3.43Å; N1123-N1342 VanDerWaalsContact OD1-CA 3.31Å; N1123-N1342 WeakPolarHBondContact OD1-CA 3.18Å; N1123-N1342 PolarHBondContact OD1-OD1 3.19Å; N1123-I1343 HydrophobicContact CB-CG2 4.34Å; N1123-I1343 WeakPolarHBondContact OD1-CA 2.25Å; N1123-I1343 VanDerWaalsContact OD1-CB 3.27Å; N1123-I1343 WeakPolarHBondContact OD1-CB 3.49Å; N1123-I1343 VanDerWaalsContact OD1-CG1 3.29Å; N1123-I1343 WeakPolarHBondContact OD1-CG1 3.46Å; N1123-I1343 VanDerWaalsContact OD1-CG2 3.29Å; N1123-I1343 WeakPolarHBondContact OD1-CG2 3.33Å | |||
| 1124 | V | 25.4 | Very low | 23.8 | Very low | 70 Ų | 70 | 102.7 Ų | 102.7 | 42% | 0.424 | 57% | 0.567 | S | S | . | * | B | Isolated β-bridge | trans | -158.5 | 146.5 | 172 | -160.1 | 0 | 0 | 0 | 0 | 116.1 | N1340 N1341 | V1124-N1340 VanDerWaalsContact CG1-CA 3.44Å; V1124-N1340 VanDerWaalsContact CG1-N 3.25Å; V1124-N1341 WeakPolarHBondContact CA-O 3.25Å |
| 1125 | D | 24.9 | Very low | 23.9 | Very low | 78 Ų | 78 | 99.1 Ų | 99.1 | 42% | 0.417 | 57% | 0.566 | S | S | . | * | trans | -112.5 | -145.3 | 178.1 | -23.6 | -45.8 | 0 | 0 | 0 | 114.5 | N1341 N1342 I1343 | D1125-N1341 PolarHBondContact N-O 3.12Å; D1125-N1342 VanDerWaalsContact OD1-C 3.27Å; D1125-N1342 PolarHBondContact OD1-N 3.48Å; D1125-N1342 PolarHBondContact OD2-N 3.23Å; D1125-I1343 PolarHBondContact OD1-N 3Å | ||
| 1126 | C | 22.7 | Very low | 24.1 | Very low | 47 Ų | 47 | 97.4 Ų | 97.4 | 32% | 0.318 | 57% | 0.571 | S | S | . | * | trans | 96.5 | 96.4 | 156.9 | -62.7 | 0 | 0 | 0 | 0 | 121.6 | S1338 A1442 | C1126-S1338 WeakPolarHBondContact CB-O 3.26Å; C1126-A1442 WeakPolarHBondContact O-CA 3.46Å; C1126-A1442 WeakPolarHBondContact O-CB 3.29Å; C1126-A1442 PolarHBondContact O-N 3.41Å; C1126-A1442 VanDerWaalsContact O-N 3.15Å | ||
| 1127 | D | 22.9 | Very low | 24.1 | Very low | 99 Ų | 99 | 100 Ų | 100 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | 67.7 | 121.4 | 98.8 | -76.4 | 26.4 | 0 | 0 | 0 | 126.5 | S1441 A1442 | D1127-S1441 VanDerWaalsContact O-CB 3.3Å; D1127-S1441 WeakPolarHBondContact O-CB 3.06Å; D1127-A1442 VanDerWaalsContact O-CB 3.23Å; D1127-A1442 WeakPolarHBondContact O-CB 3.25Å | |||
| 1128 | L | 24.1 | Very low | 24.2 | Very low | 110 Ų | 110 | 107 Ų | 107 | 58% | 0.576 | 61% | 0.607 | S | S | * | * | trans | 77.1 | 114.6 | 156.2 | -56 | 163.5 | 0 | 0 | 0 | 116.2 | H1443 | L1128-H1443 PolarHBondContact N-CD2 3.35Å; L1128-H1443 PolarHBondContact N-NE2 3Å | ||
| 1129 | T | 24.4 | Very low | 24.3 | Very low | 96 Ų | 96 | 105.9 Ų | 105.9 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | 66.6 | 128.7 | 67.4 | 70.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1130 | L | 24.4 | Very low | 24.4 | Very low | 158 Ų | 158 | 105.8 Ų | 105.8 | 83% | 0.827 | 61% | 0.61 | S | S | * | * | trans | 66 | 78.9 | 150.8 | -71.4 | 167.2 | 0 | 0 | 0 | 120.8 | ||||
| 1131 | S | 23 | Very low | 24.5 | Very low | 115 Ų | 115 | 106 Ų | 106 | 80% | 0.804 | 62% | 0.617 | S | S | * | * | trans | -164.4 | 121.3 | 135.6 | 39 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1132 | K | 22.5 | Very low | 24.6 | Very low | 194 Ų | 194 | 106.8 Ų | 106.8 | 84% | 0.843 | 61% | 0.61 | S | S | * | * | 59.8 | 120.5 | 72.6 | -81.2 | -165.5 | 174.8 | -177 | 0 | 115.6 | |||||
| 1133 | S | 21.8 | Very low | 24.7 | Very low | 97 Ų | 97 | 106.6 Ų | 106.6 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | trans | 71.9 | 123.3 | 141.6 | 54.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1134 | F | 22.8 | Very low | 25.1 | Very low | 215 Ų | 215 | 107.9 Ų | 107.9 | 94% | 0.943 | 62% | 0.623 | S | S | * | * | trans | 48.3 | 128.2 | 136.1 | -69.1 | -100.5 | 0 | 0 | 0 | 119.3 | ||||
| 1135 | G | 24.4 | Very low | 25.1 | Very low | 68 Ų | 68 | 107.7 Ų | 107.7 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | cis | 165.8 | -142.6 | 5.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1136 | A | 24.4 | Very low | 25.6 | Very low | 97 Ų | 97 | 108.6 Ų | 108.6 | 80% | 0.802 | 63% | 0.631 | S | S | * | * | trans | 77.7 | 119.8 | -161.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1137 | T | 24.1 | Very low | 26.1 | Very low | 124 Ų | 124 | 110.6 Ų | 110.6 | 76% | 0.761 | 64% | 0.644 | S | S | * | * | cis | -154.1 | 132 | 4.6 | 2.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1138 | R | 24.7 | Very low | 26.4 | Very low | 233 Ų | 233 | 114 Ų | 114 | 88% | 0.879 | 66% | 0.656 | S | S | * | * | trans | 66.3 | 145.1 | 155.9 | -68.6 | 175.7 | 168.8 | 175.3 | -5.7 | 118.7 | ||||
| 1139 | S | 26.4 | Very low | 26.6 | Very low | 60 Ų | 60 | 113.7 Ų | 113.7 | 42% | 0.42 | 66% | 0.663 | S | S | . | * | cis | -177.7 | 168.5 | -17.1 | 47.8 | 0 | 0 | 0 | 0 | 111 | S1702 Q1703 | S1139-S1702 WeakPolarHBondContact O-CB 3.34Å; S1139-S1702 PolarHBondContact O-OG 3.09Å; S1139-S1702 VanDerWaalsContact O-OG 3.13Å; S1139-Q1703 PolarHBondContact O-OE1 2.97Å | ||
| 1140 | T | 25.8 | Very low | 26.8 | Very low | 92 Ų | 92 | 113.8 Ų | 113.8 | 56% | 0.564 | 67% | 0.668 | S | S | * | * | 176.6 | 118.9 | -88.5 | 43.4 | 0 | 0 | 0 | 0 | 111.2 | S1702 Q1703 L1704 | T1140-S1702 PolarHBondContact N-OG 3.49Å; T1140-Q1703 CarbonylContact C-O 3.59Å; T1140-Q1703 WeakPolarHBondContact CA-O 3.37Å; T1140-L1704 CarbonylContact C-O 3.47Å; T1140-L1704 WeakPolarHBondContact CA-O 3.26Å | |||
| 1141 | S | 28.2 | Very low | 26.9 | Very low | 84 Ų | 84 | 111.8 Ų | 111.8 | 59% | 0.587 | 66% | 0.662 | S | S | * | * | trans | -171.3 | 120 | 177 | -164 | 0 | 0 | 0 | 0 | 112.5 | Q1703 L1704 | S1141-Q1703 CarbonylContact C-O 3.35Å; S1141-Q1703 WeakPolarHBondContact CA-O 3.46Å; S1141-Q1703 PolarHBondContact N-O 3.07Å; S1141-Q1703 CarbonylContact O-C 3.58Å; S1141-L1704 PolarHBondContact N-O 2.77Å; S1141-L1704 PolarHBondContact O-N 3.44Å | ||
| 1142 | T | 29 | Very low | 27.2 | Very low | 74 Ų | 74 | 111 Ų | 111 | 45% | 0.454 | 66% | 0.657 | S | S | . | * | trans | -80.3 | -179.5 | -175.1 | -21.3 | 0 | 0 | 0 | 0 | 114.8 | P1705 | T1142-P1705 VanDerWaalsContact CG2-O 3.25Å; T1142-P1705 WeakPolarHBondContact CG2-O 3.38Å; T1142-P1705 VanDerWaalsContact OG1-CD 3.23Å; T1142-P1705 WeakPolarHBondContact OG1-CD 3.4Å; T1142-P1705 PolarHBondContact OG1-O 3.36Å | ||
| 1143 | V | 26.8 | Very low | 27.4 | Very low | 105 Ų | 105 | 109.9 Ų | 109.9 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | trans | 125 | 141.6 | 150.2 | 177.6 | 0 | 0 | 0 | 0 | 114.2 | H1655 | V1143-H1655 PolarHBondContact O-CE1 2.97Å; V1143-H1655 PolarHBondContact O-ND1 3.26Å | ||
| 1144 | P | 33.6 | Very low | 27.7 | Very low | 50 Ų | 50 | 113.8 Ų | 113.8 | 33% | 0.325 | 66% | 0.662 | S | S | . | * | trans | -104.8 | -139.3 | -178.4 | 21.3 | 2.8 | 0 | 0 | 0 | 110.1 | H1655 Q1656 S1657 Y1658 | P1144-H1655 PolarHBondContact O-ND1 3.46Å; P1144-Q1656 VanDerWaalsContact C-CA 3.46Å; P1144-Q1656 PolarHBondContact O-N 3.17Å; P1144-Q1656 VanDerWaalsContact O-N 3.14Å; P1144-S1657 VanDerWaalsContact C-N 3.28Å; P1144-Y1658 HydrophobicContact CG-CD2 4.13Å; P1144-Y1658 HydrophobicContact CG-CE2 3.83Å | ||
| 1145 | P | 27.1 | Very low | 27.9 | Very low | 66 Ų | 66 | 109 Ų | 109 | 43% | 0.429 | 65% | 0.654 | S | S | . | * | B | Isolated β-bridge | cis | -80.2 | -110 | -38 | 2.7 | -1.6 | 0 | 0 | 0 | 123.5 | H1655 Q1656 S1657 | P1145-H1655 CarbonylContact C-O 3.55Å; P1145-H1655 CarbonylContact O-C 3.58Å; P1145-Q1656 VanDerWaalsContact C-CA 3.42Å; P1145-Q1656 CarbonylContact C-O 3.56Å; P1145-Q1656 WeakPolarHBondContact CA-O 3.41Å; P1145-Q1656 WeakPolarHBondContact CB-O 3.45Å; P1145-Q1656 VanDerWaalsContact CD-O 3.23Å; P1145-Q1656 WeakPolarHBondContact CD-O 3.4Å; P1145-Q1656 HydrophobicContact CG-CB 4.39Å; P1145-Q1656 WeakPolarHBondContact CG-O 3.27Å; P1145-S1657 VanDerWaalsContact CB-O 3.27Å; P1145-S1657 WeakPolarHBondContact CB-O 3.43Å; P1145-S1657 VanDerWaalsContact CD-CB 3.41Å; P1145-S1657 VanDerWaalsContact CG-C 3.45Å; P1145-S1657 VanDerWaalsContact CG-O 3.25Å; P1145-S1657 WeakPolarHBondContact CG-O 3.34Å; P1145-S1657 WeakPolarHBondContact CG-OG 3.37Å |
| 1146 | T | 33.6 | Very low | 28.2 | Very low | 96 Ų | 96 | 108.9 Ų | 108.9 | 59% | 0.589 | 65% | 0.654 | S | S | * | * | trans | -148.3 | -154 | -157.7 | 62.3 | 0 | 0 | 0 | 0 | 107.5 | H1655 Q1656 | T1146-H1655 PolarHBondContact N-O 3.47Å; T1146-Q1656 PolarHBondContact N-O 2.72Å; T1146-Q1656 WeakPolarHBondContact O-CB 3.39Å | ||
| 1147 | P | 34.1 | Very low | 28.4 | Very low | 89 Ų | 89 | 110 Ų | 110 | 58% | 0.578 | 65% | 0.651 | S | S | * | * | cis | -131.1 | -167.7 | -14.7 | 25.3 | 1.2 | 0 | 0 | 0 | 114 | ||||
| 1148 | H | 28.4 | Very low | 28.7 | Very low | 171 Ų | 171 | 112.2 Ų | 112.2 | 79% | 0.792 | 65% | 0.65 | S | S | * | * | trans | 74.5 | 146.3 | 166.6 | -57 | -57.6 | 0 | 0 | 0 | 116.1 | ||||
| 1149 | S | 28.9 | Very low | 28.9 | Very low | 103 Ų | 103 | 108.7 Ų | 108.7 | 72% | 0.72 | 64% | 0.638 | S | S | * | * | cis | -178.9 | 159.4 | -6.4 | 46.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1150 | S | 28.4 | Very low | 29.4 | Very low | 98 Ų | 98 | 112 Ų | 112 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | cis | 174 | 179.7 | -5.9 | 50.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1151 | V | 28 | Very low | 29.5 | Very low | 117 Ų | 117 | 112.9 Ų | 112.9 | 71% | 0.709 | 66% | 0.658 | S | S | * | * | trans | 73.3 | 145.7 | 165.4 | -178.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1152 | S | 27.6 | Very low | 29.5 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | cis | -130.7 | 142 | 5.6 | 11.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1153 | Q | 27.2 | Very low | 29.5 | Very low | 169 Ų | 169 | 119.2 Ų | 119.2 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | 61 | 109.5 | 76.4 | -61.5 | -175.1 | -88.3 | 0 | 0 | 115.9 | |||||
| 1154 | E | 27.9 | Very low | 29.6 | Very low | 180 Ų | 180 | 119.6 Ų | 119.6 | 84% | 0.841 | 68% | 0.679 | S | S | * | * | 175.2 | 126.6 | 119.2 | -91.7 | 173.1 | -173.2 | 0 | 0 | 106.2 | |||||
| 1155 | S | 28.2 | Very low | 29.6 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | cis | 62.6 | 124.6 | 46.6 | 80.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1156 | G | 29.5 | Very low | 29.7 | Very low | 67 Ų | 67 | 125.1 Ų | 125.1 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | cis | 167.8 | -139.5 | 5.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1157 | V | 29.8 | Very low | 29.4 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | 79 | 123.9 | 175.9 | -174.1 | 0 | 0 | 0 | 0 | 114.1 | Y1159 | V1157-Y1159 HydrophobicContact CG1-CD2 3.7Å; V1157-Y1159 HydrophobicContact CG1-CE2 3.86Å | ||
| 1158 | K | 30 | Very low | 29.2 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 74% | 0.735 | 73% | 0.729 | S | S | * | * | cis | 94.9 | 151 | 20.3 | -72.4 | -164.6 | 171.1 | -175.5 | 0 | 117.5 | ||||
| 1159 | Y | 29.2 | Very low | 29.2 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 63% | 0.627 | 73% | 0.729 | S | S | * | * | trans | 122.9 | 151.9 | 147.2 | -68.6 | -53.6 | 0 | 0 | 0 | 115.7 | V1157 I1161 | V1157-Y1159 HydrophobicContact CG1-CD2 3.7Å; V1157-Y1159 HydrophobicContact CG1-CE2 3.86Å; Y1159-I1161 HydrophobicContact CD1-CD1 4.26Å; Y1159-I1161 HydrophobicContact CD1-CG1 4.2Å; Y1159-I1161 HydrophobicContact CE1-CD1 3.86Å; Y1159-I1161 HydrophobicContact CE1-CG1 4.31Å | ||
| 1160 | P | 36.3 | Very low | 29.1 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 84% | 0.844 | 73% | 0.727 | S | S | * | * | cis | -116.4 | 173.3 | 23.9 | 41.3 | -30.2 | 0 | 0 | 0 | 119 | ||||
| 1161 | I | 26.9 | Very low | 29.3 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 56% | 0.564 | 73% | 0.726 | S | S | * | * | trans | -135.6 | 147.7 | 179.1 | -70 | 177.3 | 0 | 0 | 0 | 108.8 | Y1159 | Y1159-I1161 HydrophobicContact CD1-CD1 4.26Å; Y1159-I1161 HydrophobicContact CD1-CG1 4.2Å; Y1159-I1161 HydrophobicContact CE1-CD1 3.86Å; Y1159-I1161 HydrophobicContact CE1-CG1 4.31Å | ||
| 1162 | I | 29.8 | Very low | 29.4 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | trans | -128 | 107.3 | 161.9 | -65 | 177.1 | 0 | 0 | 0 | 105.1 | ||||
| 1163 | N | 28.6 | Very low | 29.4 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | 62 | 131.7 | 56 | -83.7 | -6.4 | 0 | 0 | 0 | 114.5 | |||||
| 1164 | N | 28.5 | Very low | 29.4 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 60% | 0.604 | 72% | 0.722 | S | S | * | * | cis | -166.8 | 175.9 | -9.8 | -159 | -6.9 | 0 | 0 | 0 | 109.9 | ||||
| 1165 | H | 32.9 | Very low | 29.4 | Very low | 173 Ų | 173 | 123.8 Ų | 123.8 | 80% | 0.801 | 71% | 0.714 | S | S | * | * | trans | 72.6 | 143 | 169.1 | -41.3 | -68.5 | 0 | 0 | 0 | 117.9 | ||||
| 1166 | G | 29.7 | Very low | 29.4 | Very low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | cis | 163.1 | 147 | -13.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1167 | T | 28.1 | Very low | 29.1 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | 65.8 | 145.9 | 162.8 | 60.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 1168 | T | 28.7 | Very low | 28.9 | Very low | 117 Ų | 117 | 133 Ų | 133 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | cis | -157.1 | 165.3 | 5.4 | -6.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1169 | T | 28.5 | Very low | 28.9 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | 71.9 | 140.1 | 172 | 73.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1170 | N | 28.4 | Very low | 28.7 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | cis | -148.2 | 155.6 | -5.7 | -139.6 | 3.3 | 0 | 0 | 0 | 113.6 | ||||
| 1171 | N | 32.3 | Very low | 28.1 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 66% | 0.663 | 69% | 0.685 | S | S | * | * | trans | 62.3 | 114.1 | 174.8 | -58.1 | -24.1 | 0 | 0 | 0 | 115.9 | ||||
| 1172 | N | 29.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 121 Ų | 121 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | 64.8 | 130.3 | 54.5 | -55.4 | -28.4 | 0 | 0 | 0 | 112.5 | |||||
| 1173 | N | 27.7 | Very low | 27.9 | Very low | 133 Ų | 133 | 115.8 Ų | 115.8 | 71% | 0.711 | 65% | 0.648 | S | S | * | * | cis | -164.4 | 157.5 | -3.6 | -115.6 | -18.7 | 0 | 0 | 0 | 110.3 | ||||
| 1174 | S | 27.4 | Very low | 27.7 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 74% | 0.741 | 65% | 0.652 | S | S | * | * | trans | 54 | 146.5 | 151.3 | 57.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1175 | S | 27.1 | Very low | 27.4 | Very low | 96 Ų | 96 | 114.9 Ų | 114.9 | 67% | 0.671 | 66% | 0.659 | S | S | * | * | cis | -177.2 | 162.9 | -13.6 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1176 | H | 27.5 | Very low | 27 | Very low | 160 Ų | 160 | 113.1 Ų | 113.1 | 74% | 0.741 | 66% | 0.655 | S | S | * | * | trans | 64.3 | 112.5 | 155.1 | -75.9 | -68.9 | 0 | 0 | 0 | 121.5 | ||||
| 1177 | L | 24.4 | Very low | 26.7 | Very low | 138 Ų | 138 | 116.7 Ų | 116.7 | 72% | 0.723 | 66% | 0.66 | S | S | * | * | 63.6 | 113.1 | 123.6 | -66 | 173 | 0 | 0 | 0 | 122.2 | |||||
| 1178 | K | 24.3 | Very low | 26.5 | Very low | 196 Ų | 196 | 116.2 Ų | 116.2 | 85% | 0.852 | 65% | 0.652 | S | S | * | * | trans | 76.8 | 161.2 | 132.7 | -79.7 | -163.6 | 171 | -172.2 | 0 | 118.5 | ||||
| 1179 | P | 31.3 | Very low | 26.3 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | trans | -121.2 | -163.7 | -150.2 | 38.7 | -21.6 | 0 | 0 | 0 | 114.1 | ||||
| 1180 | L | 23.6 | Very low | 26.2 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | trans | 91.9 | 124.8 | 172 | -49.7 | 174.2 | 0 | 0 | 0 | 115.1 | L526 | L526-L1180 HydrophobicContact CD1-CD2 4Š| ||
| 1181 | N | 25.3 | Very low | 26 | Very low | 47 Ų | 47 | 120.5 Ų | 120.5 | 25% | 0.251 | 65% | 0.653 | S | S | . | * | cis | 170.6 | 159.4 | -43.9 | -78.8 | 8.9 | 0 | 0 | 0 | 111.1 | S524 D525 L526 | S524-N1181 VanDerWaalsContact CB-OD1 3.32Å; S524-N1181 WeakPolarHBondContact CB-OD1 3.27Å; D525-N1181 VanDerWaalsContact CA-ND2 3.29Å; D525-N1181 WeakPolarHBondContact CA-ND2 3.49Å; D525-N1181 WeakPolarHBondContact CA-OD1 3.33Å; D525-N1181 HydrophobicContact CB-CB 3.51Å; D525-N1181 VanDerWaalsContact CB-CG 3.41Å; D525-N1181 PolarHBondContact OD1-OD1 3.28Å; L526-N1181 VanDerWaalsContact CA-CB 3.41Å; L526-N1181 HydrophobicContact CB-CB 3.39Å; L526-N1181 WeakPolarHBondContact CB-ND2 3.17Å; L526-N1181 WeakPolarHBondContact CD1-ND2 3.45Å; L526-N1181 HydrophobicContact CG-CB 4.41Å; L526-N1181 WeakPolarHBondContact CG-ND2 3.32Å; L526-N1181 PolarHBondContact N-ND2 3.42Å | ||
| 1182 | N | 26.6 | Very low | 25.6 | Very low | 54 Ų | 54 | 119.9 Ų | 119.9 | 29% | 0.289 | 66% | 0.658 | S | S | . | * | cis | -146.8 | -119 | -13.5 | -170 | -9.7 | 0 | 0 | 0 | 113.3 | D525 L526 | D525-N1182 HydrophobicContact CB-CB 3.26Å; D525-N1182 VanDerWaalsContact CB-CG 3.41Å; D525-N1182 PolarHBondContact O-ND2 3.3Å; L526-N1182 WeakPolarHBondContact O-CB 3.44Å | ||
| 1183 | T | 25.2 | Very low | 25.5 | Very low | 57 Ų | 57 | 120.1 Ų | 120.1 | 35% | 0.35 | 66% | 0.664 | S | S | . | * | cis | -174.8 | 150.5 | 28.9 | -46.8 | 0 | 0 | 0 | 0 | 113.7 | L526 L527 | L526-T1183 WeakPolarHBondContact O-CG2 3.31Å; L526-T1183 PolarHBondContact O-OG1 2.94Å; L527-T1183 PolarHBondContact N-OG1 3.31Å; L527-T1183 VanDerWaalsContact N-OG1 3.14Å; L527-T1183 PolarHBondContact O-OG1 3.47Å | ||
| 1184 | C | 23.4 | Very low | 25.6 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 76% | 0.757 | 67% | 0.67 | S | S | * | * | trans | 53.2 | 175.9 | 155.5 | -82.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 1185 | S | 23.2 | Very low | 25.7 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | trans | 78.9 | 146.9 | 160.1 | -55 | 0 | 0 | 0 | 0 | 118 | ||||
| 1186 | L | 23.5 | Very low | 25.8 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | cis | -172.8 | 144.2 | -27.8 | -119 | 157.9 | 0 | 0 | 0 | 107.5 | ||||
| 1187 | N | 24.1 | Very low | 25.8 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | trans | 64.9 | 172.8 | 169.9 | -47.8 | -47.9 | 0 | 0 | 0 | 114.5 | ||||
| 1188 | N | 25.1 | Very low | 26 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 69% | 0.69 | 67% | 0.669 | S | S | * | * | cis | -151 | 138.7 | 6.8 | -145.5 | -17 | 0 | 0 | 0 | 113.6 | ||||
| 1189 | T | 24 | Very low | 26 | Very low | 95 Ų | 95 | 121.8 Ų | 121.8 | 58% | 0.583 | 67% | 0.666 | S | S | * | * | trans | 12.1 | 128.6 | 152.1 | 54.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1190 | R | 25.7 | Very low | 25.6 | Very low | 225 Ų | 225 | 123.3 Ų | 123.3 | 85% | 0.849 | 67% | 0.673 | S | S | * | * | 163.3 | 122.2 | 118.5 | -85.6 | 149.4 | -178.7 | 164.3 | -0.6 | 109.5 | |||||
| 1191 | N | 24.8 | Very low | 25.8 | Very low | 143 Ų | 143 | 122 Ų | 122 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | 86.4 | 142.6 | 51.4 | -83.3 | 9.3 | 0 | 0 | 0 | 115.1 | |||||
| 1192 | S | 24.3 | Very low | 25.8 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | trans | 72 | 141.1 | 162 | 70.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1193 | T | 26.6 | Very low | 25.7 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | cis | -162.4 | 143.9 | -2.3 | -0.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1194 | E | 29.9 | Very low | 25.6 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -168 | 159.6 | 138.4 | -116.3 | 167.9 | -155.9 | 0 | 0 | 113 | ||||
| 1195 | M | 30.1 | Very low | 25.6 | Very low | 144 Ų | 144 | 129 Ų | 129 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | trans | 43.6 | 87.2 | 170.6 | -60.8 | -59.3 | 115.5 | 0 | 0 | 117.8 | ||||
| 1196 | L | 28.2 | Very low | 25.8 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | 58.5 | 100.3 | 100.7 | -81.9 | 81.6 | 0 | 0 | 0 | 114.4 | |||||
| 1197 | S | 28.1 | Very low | 25.8 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | 70.9 | 98 | 67.7 | 80.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1198 | S | 27.8 | Very low | 26 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | -178.4 | 162.2 | 129.5 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1199 | Y | 24.8 | Very low | 26.4 | Very low | 201 Ų | 201 | 123 Ų | 123 | 79% | 0.788 | 67% | 0.666 | S | S | * | * | trans | 54.5 | 87.7 | 172.1 | -56.9 | -70.5 | 0 | 0 | 0 | 116.5 | ||||
| 1200 | T | 22.9 | Very low | 26.5 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | 64.7 | 131.8 | 89.8 | 60.1 | 0 | 0 | 0 | 0 | 114.9 | P1202 | T1200-P1202 VanDerWaalsContact O-CD 3.28Å; T1200-P1202 WeakPolarHBondContact O-CD 3.29Å | |||
| 1201 | S | 28.8 | Very low | 26.9 | Very low | 102 Ų | 102 | 115.2 Ų | 115.2 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | trans | -53.6 | 126.3 | 170.5 | -43.1 | 0 | 0 | 0 | 0 | 112.4 | T1203 | S1201-T1203 VanDerWaalsContact C-N 3.26Å; S1201-T1203 PolarHBondContact O-N 2.83Å | ||
| 1202 | P | 24.3 | Very low | 27.6 | Very low | 73 Ų | 73 | 113 Ų | 113 | 47% | 0.474 | 63% | 0.63 | S | S | . | * | trans | -77.8 | 85.2 | 138.9 | 32.5 | -28.3 | 0 | 0 | 0 | 107.8 | T1200 L1725 | T1200-P1202 VanDerWaalsContact O-CD 3.28Å; T1200-P1202 WeakPolarHBondContact O-CD 3.29Å; P1202-L1725 HydrophobicContact CB-CB 4.33Å; P1202-L1725 HydrophobicContact CG-CB 3.91Å; P1202-L1725 VanDerWaalsContact O-CD1 3.27Å; P1202-L1725 WeakPolarHBondContact O-CD1 3.49Å | ||
| 1203 | T | 25.3 | Very low | 28.6 | Very low | 109 Ų | 109 | 111.5 Ų | 111.5 | 67% | 0.669 | 61% | 0.61 | S | S | * | * | trans | -64.6 | 143.8 | 133.5 | 47.4 | 0 | 0 | 0 | 0 | 106.6 | S1201 | S1201-T1203 VanDerWaalsContact C-N 3.26Å; S1201-T1203 PolarHBondContact O-N 2.83Å | ||
| 1204 | I | 23.3 | Very low | 29.7 | Very low | 129 Ų | 129 | 112.2 Ų | 112.2 | 66% | 0.662 | 60% | 0.602 | S | S | * | * | trans | 77.6 | 118.5 | -169.9 | -48.8 | 155.5 | 0 | 0 | 0 | 108.7 | ||||
| 1205 | D | 22.5 | Very low | 31 | Very low | 105 Ų | 105 | 106.6 Ų | 106.6 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | cis | -139.6 | -174.5 | 19.1 | -114.2 | -36.1 | 0 | 0 | 0 | 113.4 | L1725 | D1205-L1725 WeakPolarHBondContact O-CD1 3.35Š| ||
| 1206 | D | 27.1 | Very low | 32.2 | Very low | 51 Ų | 51 | 101 Ų | 101 | 27% | 0.273 | 55% | 0.553 | S | S | . | * | trans | -62.1 | -165 | 150.3 | -77.2 | -55.4 | 0 | 0 | 0 | 109.9 | R1721 S1722 F1723 | D1206-R1721 IonicContact OD2-NH1 2.68Å; D1206-R1721 PolarHBondContact OD2-NH1 3.28Å; D1206-S1722 PolarHBondContact OD1-OG 3.32Å; D1206-F1723 HydrophobicContact CB-CD1 4.49Å; D1206-F1723 HydrophobicContact CB-CE1 3.95Å; D1206-F1723 WeakPolarHBondContact OD1-CD1 3.46Å; D1206-F1723 WeakPolarHBondContact OD1-CE1 3.44Å | ||
| 1207 | H | 24.6 | Very low | 33.7 | Very low | 157 Ų | 157 | 96.1 Ų | 96.1 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | trans | 62.8 | 85.6 | 172.3 | -39.6 | -83.2 | 0 | 0 | 0 | 118.4 | ||||
| 1208 | L | 27.7 | Very low | 35.1 | Very low | 103 Ų | 103 | 94.6 Ų | 94.6 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | -164.9 | 61.8 | 113.2 | -103.5 | 166.3 | 0 | 0 | 0 | 110.3 | S1210 L1727 | L1208-S1210 PolarHBondContact O-N 3.28Å; L1208-S1210 VanDerWaalsContact O-N 3.08Å; L1208-L1727 HydrophobicContact CB-CD1 3.34Å; L1208-L1727 HydrophobicContact CD1-CD1 4.31Å; L1208-L1727 HydrophobicContact CG-CD1 4.42Å | |||
| 1209 | V | 32.8 | Very low | 36.1 | Very low | 69 Ų | 69 | 94.7 Ų | 94.7 | 42% | 0.418 | 50% | 0.5 | S | S | . | . | trans | -57.2 | 108.4 | 144.2 | 174.8 | 0 | 0 | 0 | 0 | 105.5 | D1211 | V1209-D1211 PolarHBondContact O-N 2.73Š| ||
| 1210 | S | 26.5 | Very low | 36.9 | Very low | 105 Ų | 105 | 88.3 Ų | 88.3 | 73% | 0.734 | 48% | 0.482 | S | S | * | . | trans | -68.8 | 89.4 | 165.8 | 56 | 0 | 0 | 0 | 0 | 106.6 | L1208 F1212 | L1208-S1210 PolarHBondContact O-N 3.28Å; L1208-S1210 VanDerWaalsContact O-N 3.08Å; S1210-F1212 PolarHBondContact O-N 2.76Å | ||
| 1211 | D | 33.9 | Very low | 37.8 | Very low | 51 Ų | 51 | 85.6 Ų | 85.6 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | trans | -50.2 | 120.5 | -171.9 | -170.3 | 27.7 | 0 | 0 | 0 | 110.1 | V1209 K1213 S1240 R1241 | V1209-D1211 PolarHBondContact O-N 2.73Å; D1211-K1213 VanDerWaalsContact C-N 3.27Å; D1211-K1213 HydrophobicContact CB-CG 4.31Å; D1211-K1213 PolarHBondContact O-N 2.87Å; D1211-K1213 WeakPolarHBondContact OD2-CE 3.45Å; D1211-K1213 IonicContact OD2-NZ 3.77Å; D1211-S1240 VanDerWaalsContact OD2-CB 3.28Å; D1211-S1240 WeakPolarHBondContact OD2-CB 3.48Å; D1211-R1241 WeakPolarHBondContact OD1-CB 3.29Å; D1211-R1241 PolarHBondContact OD1-N 2.88Å | ||
| 1212 | F | 41 | Very low | 38 | Very low | 97 Ų | 97 | 85.8 Ų | 85.8 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | trans | -73.6 | 89.2 | -177.7 | 53.8 | -100.4 | 0 | 0 | 0 | 108.1 | S1210 F1214 S1240 R1241 | S1210-F1212 PolarHBondContact O-N 2.76Å; F1212-F1214 AromaticContact CD2-CD2 3.98Å; F1212-F1214 HydrophobicContact CD2-CD2 3.98Å; F1212-F1214 HydrophobicContact CD2-CE2 4.17Å; F1212-F1214 PolarHBondContact O-N 2.7Å; F1212-S1240 WeakPolarHBondContact O-CA 3.37Å; F1212-R1241 HydrophobicContact CD1-CB 4.07Å; F1212-R1241 HydrophobicContact CD1-CG 4.43Å; F1212-R1241 HydrophobicContact CE1-CB 3.62Å; F1212-R1241 HydrophobicContact CE1-CG 3.61Å; F1212-R1241 HydrophobicContact CE2-CB 4.42Å; F1212-R1241 HydrophobicContact CZ-CB 3.82Å; F1212-R1241 HydrophobicContact CZ-CG 3.89Å | ||
| 1213 | K | 44.7 | Very low | 38.4 | Very low | 80 Ų | 80 | 92.3 Ų | 92.3 | 35% | 0.348 | 50% | 0.497 | S | S | . | . | trans | -87.8 | 85.4 | -179.1 | -72.8 | 179.8 | 174.1 | -163 | 0 | 108.7 | D1211 Y1215 Q1238 L1239 | D1211-K1213 VanDerWaalsContact C-N 3.27Å; D1211-K1213 HydrophobicContact CB-CG 4.31Å; D1211-K1213 PolarHBondContact O-N 2.87Å; D1211-K1213 WeakPolarHBondContact OD2-CE 3.45Å; D1211-K1213 IonicContact OD2-NZ 3.77Å; K1213-Y1215 HydrophobicContact CB-CD2 4.42Å; K1213-Y1215 HydrophobicContact CB-CE1 4.29Å; K1213-Y1215 HydrophobicContact CB-CE2 3.78Å; K1213-Y1215 VanDerWaalsContact O-CD2 3.27Å; K1213-Y1215 WeakPolarHBondContact O-CD2 3.26Å; K1213-Y1215 PolarHBondContact O-N 3.06Å; K1213-Y1215 VanDerWaalsContact O-N 3.12Å; K1213-Q1238 HydrophobicContact CB-CG 3.82Å; K1213-Q1238 HydrophobicContact CD-CG 4.34Å; K1213-Q1238 HydrophobicContact CG-CG 3.87Å; K1213-L1239 CarbonylContact C-O 3.6Å; K1213-L1239 WeakPolarHBondContact CA-O 3.12Å | ||
| 1214 | F | 49.4 | Very low | 38.9 | Very low | 143 Ų | 143 | 99.4 Ų | 99.4 | 63% | 0.627 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 103.4 | 172.6 | -87.1 | -79.9 | 0 | 0 | 0 | 109.2 | F1212 Q1238 L1239 | F1212-F1214 AromaticContact CD2-CD2 3.98Å; F1212-F1214 HydrophobicContact CD2-CD2 3.98Å; F1212-F1214 HydrophobicContact CD2-CE2 4.17Å; F1212-F1214 PolarHBondContact O-N 2.7Å; F1214-Q1238 WeakPolarHBondContact O-CA 3.47Å; F1214-L1239 HydrophobicContact CB-CB 4.09Å; F1214-L1239 HydrophobicContact CB-CD2 4.48Å; F1214-L1239 PolarHBondContact N-O 3.16Å; F1214-L1239 PolarHBondContact O-N 3.37Å |
| 1215 | Y | 57.6 | Low | 39.3 | Very low | 61 Ų | 61 | 96.7 Ų | 96.7 | 24% | 0.239 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.5 | 179 | -69.2 | -55.7 | 0 | 0 | 0 | 111.3 | K1213 F1236 A1237 Q1238 A1272 I1279 | K1213-Y1215 HydrophobicContact CB-CD2 4.42Å; K1213-Y1215 HydrophobicContact CB-CE1 4.29Å; K1213-Y1215 HydrophobicContact CB-CE2 3.78Å; K1213-Y1215 VanDerWaalsContact O-CD2 3.27Å; K1213-Y1215 WeakPolarHBondContact O-CD2 3.26Å; K1213-Y1215 PolarHBondContact O-N 3.06Å; K1213-Y1215 VanDerWaalsContact O-N 3.12Å; Y1215-F1236 AromaticContact CD1-CE1 3.46Å; Y1215-F1236 HydrophobicContact CD1-CE1 3.46Å; Y1215-F1236 VanDerWaalsContact CD1-CE1 3.46Å; Y1215-F1236 HydrophobicContact CD1-CE2 4.3Å; Y1215-F1236 AromaticContact CD1-CZ 3.19Å; Y1215-F1236 HydrophobicContact CD1-CZ 3.19Å; Y1215-F1236 AromaticContact CE1-CE1 3.92Å; Y1215-F1236 HydrophobicContact CE1-CE1 3.92Å; Y1215-F1236 HydrophobicContact CE1-CZ 4.04Å; Y1215-F1236 HydrophobicContact CG-CE1 4.38Å; Y1215-F1236 AromaticContact CG-CZ 3.68Å; Y1215-F1236 HydrophobicContact CG-CZ 3.68Å; Y1215-A1237 WeakPolarHBondContact CA-O 2.95Å; Y1215-Q1238 HydrophobicContact CD1-CB 3.81Å; Y1215-Q1238 HydrophobicContact CD1-CG 3.88Å; Y1215-Q1238 HydrophobicContact CE1-CB 3.68Å; Y1215-Q1238 HydrophobicContact CE1-CG 3.44Å; Y1215-Q1238 VanDerWaalsContact CE1-CG 3.44Å; Y1215-Q1238 VanDerWaalsContact CE1-OE1 3.24Å; Y1215-Q1238 PolarHBondContact OH-OE1 2.75Å; Y1215-A1272 HydrophobicContact CD2-CB 3.96Å; Y1215-A1272 HydrophobicContact CE2-CB 4.25Å; Y1215-I1279 HydrophobicContact CE1-CD1 3.77Å |
| 1216 | G | 55.8 | Low | 39.8 | Very low | 27 Ų | 27 | 101.7 Ų | 101.7 | 28% | 0.278 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 170.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1236 A1237 | G1216-F1236 WeakPolarHBondContact O-CD2 3.46Å; G1216-A1237 PolarHBondContact N-O 2.76Å; G1216-A1237 PolarHBondContact O-N 3.39Å |
| 1217 | I | 59.7 | Low | 40.1 | Very low | 37 Ų | 37 | 111 Ų | 111 | 19% | 0.19 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.6 | 169.9 | -56.6 | -176.8 | 0 | 0 | 0 | 108 | E1219 I1249 V1257 | I1217-E1219 HydrophobicContact CB-CG 4.47Å; I1217-E1219 HydrophobicContact CG2-CG 3.55Å; I1217-I1249 HydrophobicContact CB-CD1 4.31Å; I1217-I1249 HydrophobicContact CD1-CD1 4.05Å; I1217-I1249 HydrophobicContact CG1-CD1 3.82Å; I1217-I1249 HydrophobicContact CG2-CD1 3.76Å; I1217-V1257 HydrophobicContact CD1-CB 4.11Å; I1217-V1257 HydrophobicContact CD1-CG1 3.8Å; I1217-V1257 HydrophobicContact CG1-CG1 4.47Å |
| 1218 | L | 56.8 | Low | 40.4 | Very low | 70 Ų | 70 | 111.5 Ų | 111.5 | 37% | 0.366 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 97.5 | 175.3 | -173.7 | 72.9 | 0 | 0 | 0 | 108.9 | C1235 A1237 L1246 | L1218-C1235 PolarHBondContact N-O 3.06Å; L1218-C1235 PolarHBondContact O-N 3.35Å; L1218-A1237 HydrophobicContact CB-CB 4.48Å; L1218-L1246 HydrophobicContact CD2-CD1 4.26Å; L1218-L1246 HydrophobicContact CD2-CD2 3.95Å |
| 1219 | E | 48.9 | Very low | 40.6 | Very low | 100 Ų | 100 | 112.3 Ų | 112.3 | 47% | 0.467 | 57% | 0.571 | S | S | . | * | trans | -102.3 | 122.2 | 178.5 | -53.2 | -156.1 | 118.7 | 0 | 0 | 111.2 | I1217 S1234 H1258 | I1217-E1219 HydrophobicContact CB-CG 4.47Å; I1217-E1219 HydrophobicContact CG2-CG 3.55Å; E1219-S1234 WeakPolarHBondContact OE1-CB 3.39Å; E1219-S1234 PolarHBondContact OE1-OG 3.5Å; E1219-H1258 IonicContact OE2-CE1 2.63Å | ||
| 1220 | V | 42.5 | Very low | 40.6 | Very low | 68 Ų | 68 | 112.9 Ų | 112.9 | 41% | 0.412 | 57% | 0.571 | S | S | . | * | trans | -117.1 | 65.6 | 172.8 | -160.2 | 0 | 0 | 0 | 0 | 109.9 | W1232 | V1220-W1232 HydrophobicContact CB-CB 3.83Å; V1220-W1232 HydrophobicContact CB-CG 3.91Å; V1220-W1232 HydrophobicContact CG2-CB 3.94Å; V1220-W1232 HydrophobicContact CG2-CD2 4.35Å; V1220-W1232 HydrophobicContact CG2-CG 3.79Å | ||
| 1221 | G | 41.2 | Very low | 41 | Very low | 61 Ų | 61 | 115.1 Ų | 115.1 | 63% | 0.629 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 150.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1222 | P | 31.7 | Very low | 41.6 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 68% | 0.682 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 125.4 | -170.4 | 30.8 | -35.2 | 0 | 0 | 0 | 114.3 | ||
| 1223 | K | 34.2 | Very low | 42.1 | Very low | 211 Ų | 211 | 118 Ų | 118 | 92% | 0.917 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 141.3 | 156 | -76.8 | -178.1 | 177.3 | 174.9 | 0 | 110.2 | G1225 | K1223-G1225 PolarHBondContact O-N 2.88Š|
| 1224 | R | 34.2 | Very low | 42.7 | Very low | 258 Ų | 258 | 116 Ų | 116 | 97% | 0.974 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -72.6 | 118.9 | -160.7 | -60.4 | 170.5 | 176.4 | 169.7 | -3.2 | 112.7 | ||
| 1225 | G | 33.7 | Very low | 43.4 | Very low | 72 Ų | 72 | 109.2 Ų | 109.2 | 74% | 0.742 | 55% | 0.546 | S | S | * | . | trans | -176 | 30.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 122 | K1223 | K1223-G1225 PolarHBondContact O-N 2.88Š| ||
| 1226 | K | 31.4 | Very low | 43.9 | Very low | 209 Ų | 209 | 106.5 Ų | 106.5 | 91% | 0.909 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 42.9 | 74.8 | 167.6 | -67.5 | -174.3 | 177.2 | 178.7 | 0 | 118.4 | ||
| 1227 | R | 33.2 | Very low | 44.7 | Very low | 247 Ų | 247 | 106 Ų | 106 | 93% | 0.932 | 53% | 0.528 | S | S | * | . | trans | -171.6 | 145.2 | 137.1 | -103.3 | 156.3 | -175.9 | 179.9 | 1.1 | 110.1 | K1229 | R1227-K1229 PolarHBondContact O-N 3.48Š| ||
| 1228 | N | 31.7 | Very low | 45.2 | Very low | 167 Ų | 167 | 104.9 Ų | 104.9 | 89% | 0.893 | 52% | 0.522 | S | S | * | . | trans | -84.8 | 107.6 | -161.2 | -54.5 | -7 | 0 | 0 | 0 | 112.6 | ||||
| 1229 | K | 32 | Very low | 45.8 | Very low | 121 Ų | 121 | 104.4 Ų | 104.4 | 53% | 0.526 | 52% | 0.52 | S | S | . | . | trans | -145.6 | 134.6 | 166.2 | -68 | -168.4 | 172.1 | -166.4 | 0 | 111.5 | R1227 S1301 C1305 | R1227-K1229 PolarHBondContact O-N 3.48Å; K1229-S1301 PolarHBondContact NZ-O 3.19Å; K1229-S1301 PolarHBondContact NZ-OG 3Å; K1229-C1305 HydrophobicContact CD-CB 3.93Å; K1229-C1305 HydrophobicContact CG-CB 4.5Å; K1229-C1305 PolarHBondContact NZ-SG 3.36Å | ||
| 1230 | L | 32.7 | Very low | 46.6 | Very low | 81 Ų | 81 | 99.9 Ų | 99.9 | 42% | 0.424 | 50% | 0.499 | S | S | . | . | trans | 26.6 | 102.4 | 170 | -71.9 | 164.3 | 0 | 0 | 0 | 118.6 | ||||
| 1231 | H | 35.6 | Very low | 47.4 | Very low | 151 Ų | 151 | 103.9 Ų | 103.9 | 70% | 0.699 | 51% | 0.506 | S | S | * | . | trans | -86.4 | 129.4 | 161.5 | -152.6 | -54.7 | 0 | 0 | 0 | 108.7 | ||||
| 1232 | W | 45.4 | Very low | 48.3 | Very low | 83 Ų | 83 | 104.8 Ų | 104.8 | 31% | 0.314 | 50% | 0.5 | S | S | . | . | trans | -106.2 | 154.8 | 166.1 | -59.6 | 61.5 | 0 | 0 | 0 | 109.3 | V1220 L1246 | V1220-W1232 HydrophobicContact CB-CB 3.83Å; V1220-W1232 HydrophobicContact CB-CG 3.91Å; V1220-W1232 HydrophobicContact CG2-CB 3.94Å; V1220-W1232 HydrophobicContact CG2-CD2 4.35Å; V1220-W1232 HydrophobicContact CG2-CG 3.79Å; W1232-L1246 HydrophobicContact CZ3-CD1 4.18Å | ||
| 1233 | E | 51.9 | Low | 50.5 | Low | 125 Ų | 125 | 102.2 Ų | 102.2 | 58% | 0.584 | 48% | 0.479 | S | S | * | . | trans | -91.3 | 152.3 | 164.4 | -64.2 | 161.8 | 129.2 | 0 | 0 | 107.8 | C1235 R1285 | E1233-C1235 PolarHBondContact O-N 3.18Å; E1233-R1285 IonicContact OE2-CZ 2.72Å; E1233-R1285 IonicContact OE2-NH1 3.7Å; E1233-R1285 PolarHBondContact OE2-NH1 2.84Å; E1233-R1285 IonicContact OE2-NH2 3.63Å; E1233-R1285 PolarHBondContact OE2-NH2 2.61Å; E1233-R1285 VanDerWaalsContact OE2-NH2 3.09Å | ||
| 1234 | S | 58 | Low | 52.5 | Low | 39 Ų | 39 | 93.9 Ų | 93.9 | 27% | 0.273 | 44% | 0.444 | S | S | . | . | trans | -61.9 | 102 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 110.1 | E1219 I1249 | E1219-S1234 WeakPolarHBondContact OE1-CB 3.39Å; E1219-S1234 PolarHBondContact OE1-OG 3.5Å; S1234-I1249 WeakPolarHBondContact O-CB 3.37Å; S1234-I1249 WeakPolarHBondContact O-CD1 3.36Å; S1234-I1249 WeakPolarHBondContact O-CG1 3.42Å | ||
| 1235 | C | 63.6 | Low | 54.6 | Low | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.007 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 149 | -178.6 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | L1218 E1233 W1247 | L1218-C1235 PolarHBondContact N-O 3.06Å; L1218-C1235 PolarHBondContact O-N 3.35Å; E1233-C1235 PolarHBondContact O-N 3.18Å; C1235-W1247 CarbonylContact C-O 3.58Å; C1235-W1247 VanDerWaalsContact CA-O 3.3Å; C1235-W1247 WeakPolarHBondContact CA-O 3.44Å; C1235-W1247 WeakPolarHBondContact CB-O 3.38Å |
| 1236 | F | 68 | Low | 56.6 | Low | 4 Ų | 4 | 79.6 Ų | 79.6 | 2% | 0.018 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129.5 | 179.6 | -177.6 | -113.6 | 0 | 0 | 0 | 109.1 | Y1215 G1216 L1246 W1247 I1249 I1275 I1279 | Y1215-F1236 AromaticContact CD1-CE1 3.46Å; Y1215-F1236 HydrophobicContact CD1-CE1 3.46Å; Y1215-F1236 VanDerWaalsContact CD1-CE1 3.46Å; Y1215-F1236 HydrophobicContact CD1-CE2 4.3Å; Y1215-F1236 AromaticContact CD1-CZ 3.19Å; Y1215-F1236 HydrophobicContact CD1-CZ 3.19Å; Y1215-F1236 AromaticContact CE1-CE1 3.92Å; Y1215-F1236 HydrophobicContact CE1-CE1 3.92Å; Y1215-F1236 HydrophobicContact CE1-CZ 4.04Å; Y1215-F1236 HydrophobicContact CG-CE1 4.38Å; Y1215-F1236 AromaticContact CG-CZ 3.68Å; Y1215-F1236 HydrophobicContact CG-CZ 3.68Å; G1216-F1236 WeakPolarHBondContact O-CD2 3.46Å; F1236-L1246 CarbonylContact O-C 3.12Å; F1236-L1246 VanDerWaalsContact O-CA 3.23Å; F1236-L1246 WeakPolarHBondContact O-CA 3.37Å; F1236-W1247 HydrophobicContact CB-CB 4.42Å; F1236-W1247 HydrophobicContact CD1-CD2 4.37Å; F1236-W1247 AromaticContact CD1-CE3 3.64Å; F1236-W1247 HydrophobicContact CD1-CE3 3.64Å; F1236-W1247 AromaticContact CD1-CZ3 3.99Å; F1236-W1247 HydrophobicContact CD1-CZ3 3.99Å; F1236-W1247 HydrophobicContact CE1-CE3 4.34Å; F1236-W1247 HydrophobicContact CE1-CZ3 4.27Å; F1236-W1247 PolarHBondContact N-O 2.78Å; F1236-W1247 PolarHBondContact O-N 3.42Å; F1236-I1249 HydrophobicContact CB-CD1 3.83Å; F1236-I1249 HydrophobicContact CB-CG1 3.7Å; F1236-I1275 HydrophobicContact CD1-CG2 3.94Å; F1236-I1275 HydrophobicContact CD2-CD1 3.97Å; F1236-I1275 HydrophobicContact CD2-CG2 4.48Å; F1236-I1275 HydrophobicContact CE1-CB 4.4Å; F1236-I1275 HydrophobicContact CE1-CG2 3.33Å; F1236-I1275 HydrophobicContact CE2-CB 4.46Å; F1236-I1275 HydrophobicContact CE2-CD1 3.31Å; F1236-I1275 HydrophobicContact CE2-CG1 4.42Å; F1236-I1275 HydrophobicContact CE2-CG2 3.98Å; F1236-I1275 HydrophobicContact CG-CG2 4.46Å; F1236-I1275 HydrophobicContact CZ-CB 3.95Å; F1236-I1275 HydrophobicContact CZ-CD1 3.69Å; F1236-I1275 HydrophobicContact CZ-CG1 4.39Å; F1236-I1275 HydrophobicContact CZ-CG2 3.33Å; F1236-I1279 HydrophobicContact CE1-CD1 4.3Å |
| 1237 | A | 71.5 | Confident | 58.7 | Low | 16 Ų | 16 | 70.2 Ų | 70.2 | 13% | 0.132 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y1215 G1216 L1218 L1244 M1245 L1246 | Y1215-A1237 WeakPolarHBondContact CA-O 2.95Å; G1216-A1237 PolarHBondContact N-O 2.76Å; G1216-A1237 PolarHBondContact O-N 3.39Å; L1218-A1237 HydrophobicContact CB-CB 4.48Å; A1237-L1244 HydrophobicContact CB-CD1 4.38Å; A1237-M1245 WeakPolarHBondContact CA-O 3.31Å; A1237-L1246 HydrophobicContact CB-CD2 3.73Å |
| 1238 | Q | 71.5 | Confident | 60.3 | Low | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 103.6 | 159.6 | -179.6 | -161.5 | -89.4 | 0 | 0 | 107.2 | K1213 F1214 Y1215 M1245 W1247 | K1213-Q1238 HydrophobicContact CB-CG 3.82Å; K1213-Q1238 HydrophobicContact CD-CG 4.34Å; K1213-Q1238 HydrophobicContact CG-CG 3.87Å; F1214-Q1238 WeakPolarHBondContact O-CA 3.47Å; Y1215-Q1238 HydrophobicContact CD1-CB 3.81Å; Y1215-Q1238 HydrophobicContact CD1-CG 3.88Å; Y1215-Q1238 HydrophobicContact CE1-CB 3.68Å; Y1215-Q1238 HydrophobicContact CE1-CG 3.44Å; Y1215-Q1238 VanDerWaalsContact CE1-CG 3.44Å; Y1215-Q1238 VanDerWaalsContact CE1-OE1 3.24Å; Y1215-Q1238 PolarHBondContact OH-OE1 2.75Å; Q1238-M1245 HydrophobicContact CB-CB 4.21Å; Q1238-M1245 PolarHBondContact N-O 3.35Å; Q1238-M1245 PolarHBondContact O-N 3.14Å; Q1238-W1247 HydrophobicContact CB-CH2 3.59Å; Q1238-W1247 HydrophobicContact CB-CZ3 3.36Å; Q1238-W1247 HydrophobicContact CG-CH2 4.4Å |
| 1239 | L | 68.8 | Low | 61.9 | Low | 60 Ų | 60 | 54.2 Ų | 54.2 | 31% | 0.314 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 117.6 | 163.1 | 174.4 | 71.8 | 0 | 0 | 0 | 107.2 | K1213 F1214 L1244 L1290 | K1213-L1239 CarbonylContact C-O 3.6Å; K1213-L1239 WeakPolarHBondContact CA-O 3.12Å; F1214-L1239 HydrophobicContact CB-CB 4.09Å; F1214-L1239 HydrophobicContact CB-CD2 4.48Å; F1214-L1239 PolarHBondContact N-O 3.16Å; F1214-L1239 PolarHBondContact O-N 3.37Å; L1239-L1244 HydrophobicContact CB-CD1 4.49Å; L1239-L1290 HydrophobicContact CD1-CD1 3.78Å; L1239-L1290 HydrophobicContact CD1-CD2 3.69Å; L1239-L1290 HydrophobicContact CD1-CG 4.07Å |
| 1240 | S | 65.2 | Low | 63.6 | Low | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | trans | -98.7 | -174.4 | 171.6 | 77.3 | 0 | 0 | 0 | 0 | 111.1 | D1211 F1212 T1242 H1243 L1290 | D1211-S1240 VanDerWaalsContact OD2-CB 3.28Å; D1211-S1240 WeakPolarHBondContact OD2-CB 3.48Å; F1212-S1240 WeakPolarHBondContact O-CA 3.37Å; S1240-T1242 PolarHBondContact O-N 3.4Å; S1240-T1242 PolarHBondContact OG-N 3.38Å; S1240-T1242 VanDerWaalsContact OG-N 3.14Å; S1240-T1242 PolarHBondContact OG-OG1 2.85Å; S1240-H1243 PolarHBondContact N-O 3.12Å; S1240-H1243 PolarHBondContact OG-N 3.47Å; S1240-H1243 PolarHBondContact OG-O 2.91Å; S1240-L1290 WeakPolarHBondContact O-CD1 2.91Å | ||
| 1241 | R | 59.1 | Low | 65 | Low | 152 Ų | 152 | 51.4 Ų | 51.4 | 57% | 0.574 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -67.4 | -19 | 170.9 | -175.4 | 169 | 179.3 | 151.8 | 0.9 | 113.6 | D1211 F1212 | D1211-R1241 WeakPolarHBondContact OD1-CB 3.29Å; D1211-R1241 PolarHBondContact OD1-N 2.88Å; F1212-R1241 HydrophobicContact CD1-CB 4.07Å; F1212-R1241 HydrophobicContact CD1-CG 4.43Å; F1212-R1241 HydrophobicContact CE1-CB 3.62Å; F1212-R1241 HydrophobicContact CE1-CG 3.61Å; F1212-R1241 HydrophobicContact CE2-CB 4.42Å; F1212-R1241 HydrophobicContact CZ-CB 3.82Å; F1212-R1241 HydrophobicContact CZ-CG 3.89Å |
| 1242 | T | 60.9 | Low | 66.4 | Low | 81 Ų | 81 | 49.9 Ų | 49.9 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -124.9 | -23.3 | -170.9 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | S1240 P1289 L1290 | S1240-T1242 PolarHBondContact O-N 3.4Å; S1240-T1242 PolarHBondContact OG-N 3.38Å; S1240-T1242 VanDerWaalsContact OG-N 3.14Å; S1240-T1242 PolarHBondContact OG-OG1 2.85Å; T1242-P1289 CarbonylContact O-C 3.59Å; T1242-P1289 WeakPolarHBondContact O-CA 3.27Å; T1242-L1290 PolarHBondContact O-N 3.46Å |
| 1243 | H | 77 | Confident | 67.3 | Low | 50 Ų | 50 | 47.4 Ų | 47.4 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 153.6 | -172.3 | -64.5 | 86 | 0 | 0 | 0 | 112.3 | S1240 E1287 M1288 | S1240-H1243 PolarHBondContact N-O 3.12Å; S1240-H1243 PolarHBondContact OG-N 3.47Å; S1240-H1243 PolarHBondContact OG-O 2.91Å; H1243-E1287 IonicContact CD2-OE1 3.87Å; H1243-M1288 CarbonylContact C-O 3.59Å; H1243-M1288 VanDerWaalsContact CA-O 3.27Å; H1243-M1288 WeakPolarHBondContact CA-O 3.08Å |
| 1244 | L | 77.3 | Confident | 67.8 | Low | 36 Ų | 36 | 42.5 Ų | 42.5 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.3 | 156.1 | 175.5 | 62.5 | 0 | 0 | 0 | 108.2 | A1237 L1239 L1246 M1288 | A1237-L1244 HydrophobicContact CB-CD1 4.38Å; L1239-L1244 HydrophobicContact CB-CD1 4.49Å; L1244-L1246 HydrophobicContact CD1-CD2 4.15Å; L1244-L1246 HydrophobicContact CG-CD2 4.35Å; L1244-M1288 HydrophobicContact CD2-CE 4.18Å; L1244-M1288 PolarHBondContact N-O 3.1Å; L1244-M1288 PolarHBondContact O-N 3.48Å |
| 1245 | M | 77.3 | Confident | 68 | Low | 26 Ų | 26 | 47 Ų | 47 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 136.1 | 169.4 | -58.8 | -71.2 | -75.7 | 0 | 0 | 109.2 | A1237 Q1238 W1247 V1284 L1286 E1287 | A1237-M1245 WeakPolarHBondContact CA-O 3.31Å; Q1238-M1245 HydrophobicContact CB-CB 4.21Å; Q1238-M1245 PolarHBondContact N-O 3.35Å; Q1238-M1245 PolarHBondContact O-N 3.14Å; M1245-W1247 HydrophobicContact CB-CE3 4.16Å; M1245-W1247 HydrophobicContact CB-CH2 3.44Å; M1245-W1247 VanDerWaalsContact CB-CH2 3.44Å; M1245-W1247 HydrophobicContact CB-CZ2 4.2Å; M1245-W1247 HydrophobicContact CB-CZ3 3.42Å; M1245-W1247 VanDerWaalsContact CB-CZ3 3.42Å; M1245-W1247 HydrophobicContact CE-CH2 4.4Å; M1245-W1247 HydrophobicContact CE-CZ2 4.08Å; M1245-W1247 HydrophobicContact CG-CH2 4Å; M1245-W1247 HydrophobicContact CG-CZ3 4.43Å; M1245-V1284 HydrophobicContact CE-CG1 4.05Å; M1245-V1284 HydrophobicContact CE-CG2 4.05Å; M1245-L1286 CarbonylContact C-O 3.53Å; M1245-L1286 WeakPolarHBondContact CA-O 3.29Å; M1245-E1287 HydrophobicContact CE-CB 4.48Å; M1245-E1287 HydrophobicContact SD-CB 3.7Å; M1245-E1287 HydrophobicContact SD-CG 3.47Å; M1245-E1287 WeakPolarHBondContact SD-CG 2.26Å |
| 1246 | L | 76.4 | Confident | 68 | Low | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.7 | 166.7 | -56.1 | -179.7 | 0 | 0 | 0 | 110 | L1218 W1232 F1236 A1237 L1244 V1284 R1285 L1286 | L1218-L1246 HydrophobicContact CD2-CD1 4.26Å; L1218-L1246 HydrophobicContact CD2-CD2 3.95Å; W1232-L1246 HydrophobicContact CZ3-CD1 4.18Å; F1236-L1246 CarbonylContact O-C 3.12Å; F1236-L1246 VanDerWaalsContact O-CA 3.23Å; F1236-L1246 WeakPolarHBondContact O-CA 3.37Å; A1237-L1246 HydrophobicContact CB-CD2 3.73Å; L1244-L1246 HydrophobicContact CD1-CD2 4.15Å; L1244-L1246 HydrophobicContact CG-CD2 4.35Å; L1246-V1284 CarbonylContact O-C 3.57Å; L1246-V1284 WeakPolarHBondContact O-CA 2.26Å; L1246-R1285 HydrophobicContact CB-CB 4.35Å; L1246-R1285 PolarHBondContact O-N 3.44Å; L1246-L1286 HydrophobicContact CB-CB 4.01Å; L1246-L1286 HydrophobicContact CD1-CB 3.94Å; L1246-L1286 HydrophobicContact CD1-CD2 3.89Å; L1246-L1286 HydrophobicContact CG-CB 4.05Å; L1246-L1286 HydrophobicContact CG-CD2 4.42Å; L1246-L1286 PolarHBondContact N-O 3.34Å; L1246-L1286 PolarHBondContact O-N 2.8Å |
| 1247 | W | 74.5 | Confident | 67.6 | Low | 12 Ų | 12 | 55.5 Ų | 55.5 | 5% | 0.045 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 155.5 | 169.3 | -63.1 | -103.9 | 0 | 0 | 0 | 111.7 | C1235 F1236 Q1238 M1245 I1279 L1282 S1283 | C1235-W1247 CarbonylContact C-O 3.58Å; C1235-W1247 VanDerWaalsContact CA-O 3.3Å; C1235-W1247 WeakPolarHBondContact CA-O 3.44Å; C1235-W1247 WeakPolarHBondContact CB-O 3.38Å; F1236-W1247 HydrophobicContact CB-CB 4.42Å; F1236-W1247 HydrophobicContact CD1-CD2 4.37Å; F1236-W1247 AromaticContact CD1-CE3 3.64Å; F1236-W1247 HydrophobicContact CD1-CE3 3.64Å; F1236-W1247 AromaticContact CD1-CZ3 3.99Å; F1236-W1247 HydrophobicContact CD1-CZ3 3.99Å; F1236-W1247 HydrophobicContact CE1-CE3 4.34Å; F1236-W1247 HydrophobicContact CE1-CZ3 4.27Å; F1236-W1247 PolarHBondContact N-O 2.78Å; F1236-W1247 PolarHBondContact O-N 3.42Å; Q1238-W1247 HydrophobicContact CB-CH2 3.59Å; Q1238-W1247 HydrophobicContact CB-CZ3 3.36Å; Q1238-W1247 HydrophobicContact CG-CH2 4.4Å; M1245-W1247 HydrophobicContact CB-CE3 4.16Å; M1245-W1247 HydrophobicContact CB-CH2 3.44Å; M1245-W1247 VanDerWaalsContact CB-CH2 3.44Å; M1245-W1247 HydrophobicContact CB-CZ2 4.2Å; M1245-W1247 HydrophobicContact CB-CZ3 3.42Å; M1245-W1247 VanDerWaalsContact CB-CZ3 3.42Å; M1245-W1247 HydrophobicContact CE-CH2 4.4Å; M1245-W1247 HydrophobicContact CE-CZ2 4.08Å; M1245-W1247 HydrophobicContact CG-CH2 4Å; M1245-W1247 HydrophobicContact CG-CZ3 4.43Å; W1247-I1279 HydrophobicContact CZ2-CG1 4.4Å; W1247-I1279 HydrophobicContact CZ2-CG2 4.27Å; W1247-L1282 HydrophobicContact CB-CB 3.96Å; W1247-L1282 HydrophobicContact CB-CD1 4.38Å; W1247-L1282 VanDerWaalsContact CD1-CB 3.48Å; W1247-L1282 HydrophobicContact CG-CB 3.94Å; W1247-S1283 CarbonylContact C-O 3.59Å; W1247-S1283 WeakPolarHBondContact CA-O 2.92Å; W1247-S1283 WeakPolarHBondContact CB-O 3.3Å |
| 1248 | D | 67.8 | Low | 67.1 | Low | 47 Ų | 47 | 58.6 Ų | 58.6 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 140.2 | 168.5 | -53.1 | -58.7 | 0 | 0 | 0 | 111.1 | S1283 R1285 | D1248-S1283 PolarHBondContact N-O 3.06Å; D1248-S1283 VanDerWaalsContact N-O 3.08Å; D1248-S1283 WeakPolarHBondContact OD2-CB 3.4Å; D1248-S1283 PolarHBondContact OD2-OG 2.89Å; D1248-R1285 VanDerWaalsContact OD1-CD 3.22Å; D1248-R1285 WeakPolarHBondContact OD1-CD 3Å; D1248-R1285 IonicContact OD1-CZ 3.39Å; D1248-R1285 IonicContact OD1-NE 3.62Å; D1248-R1285 IonicContact OD1-NH1 2.69Å; D1248-R1285 PolarHBondContact OD1-NH1 2.8Å |
| 1249 | I | 64.8 | Low | 66.6 | Low | 31 Ų | 31 | 64.3 Ų | 64.3 | 16% | 0.159 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 119.7 | 177.6 | -53.6 | -178.3 | 0 | 0 | 0 | 110.3 | I1217 S1234 F1236 S1251 L1253 C1254 | I1217-I1249 HydrophobicContact CB-CD1 4.31Å; I1217-I1249 HydrophobicContact CD1-CD1 4.05Å; I1217-I1249 HydrophobicContact CG1-CD1 3.82Å; I1217-I1249 HydrophobicContact CG2-CD1 3.76Å; S1234-I1249 WeakPolarHBondContact O-CB 3.37Å; S1234-I1249 WeakPolarHBondContact O-CD1 3.36Å; S1234-I1249 WeakPolarHBondContact O-CG1 3.42Å; F1236-I1249 HydrophobicContact CB-CD1 3.83Å; F1236-I1249 HydrophobicContact CB-CG1 3.7Å; I1249-S1251 PolarHBondContact O-N 2.73Å; I1249-L1253 HydrophobicContact CG2-CB 4.18Å; I1249-C1254 HydrophobicContact CG2-CB 3.66Å |
| 1250 | P | 67.9 | Low | 65.9 | Low | 65 Ų | 65 | 63.4 Ų | 63.4 | 42% | 0.422 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -56 | 128.5 | 165.2 | -24.7 | 34.4 | 0 | 0 | 0 | 110.5 | D1252 L1253 C1254 L1282 | P1250-D1252 PolarHBondContact O-N 3.42Å; P1250-L1253 HydrophobicContact CB-CB 4.44Å; P1250-L1253 WeakPolarHBondContact O-CA 3.39Å; P1250-L1253 WeakPolarHBondContact O-CB 3.21Å; P1250-L1253 PolarHBondContact O-N 2.94Å; P1250-C1254 PolarHBondContact O-N 3.26Å; P1250-L1282 HydrophobicContact CG-CD2 3.99Å |
| 1251 | S | 62 | Low | 65.2 | Low | 79 Ų | 79 | 67.6 Ų | 67.6 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56.4 | -28.4 | -171.8 | 55 | 0 | 0 | 0 | 0 | 114.1 | I1249 K1255 | I1249-S1251 PolarHBondContact O-N 2.73Å; S1251-K1255 WeakPolarHBondContact O-CG 3.48Å; S1251-K1255 PolarHBondContact O-N 3.19Å |
| 1252 | D | 65.6 | Low | 64.8 | Low | 119 Ų | 119 | 66.5 Ų | 66.5 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.7 | -40.8 | 173.1 | -52.6 | -45.5 | 0 | 0 | 0 | 112.7 | P1250 R1256 | P1250-D1252 PolarHBondContact O-N 3.42Å; D1252-R1256 PolarHBondContact O-N 3.33Å |
| 1253 | L | 63.9 | Low | 64.2 | Low | 30 Ų | 30 | 70.1 Ų | 70.1 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.9 | -39.2 | 176.5 | -169.8 | 68.2 | 0 | 0 | 0 | 110.7 | I1249 P1250 R1256 V1257 | I1249-L1253 HydrophobicContact CG2-CB 4.18Å; P1250-L1253 HydrophobicContact CB-CB 4.44Å; P1250-L1253 WeakPolarHBondContact O-CA 3.39Å; P1250-L1253 WeakPolarHBondContact O-CB 3.21Å; P1250-L1253 PolarHBondContact O-N 2.94Å; L1253-R1256 PolarHBondContact O-N 3.38Å; L1253-V1257 WeakPolarHBondContact O-CG2 3.16Å; L1253-V1257 PolarHBondContact O-N 3.02Å |
| 1254 | C | 61.6 | Low | 62.6 | Low | 22 Ų | 22 | 74.3 Ų | 74.3 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.6 | -54.4 | 176.1 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | I1249 P1250 R1256 V1257 H1258 | I1249-C1254 HydrophobicContact CG2-CB 3.66Å; P1250-C1254 PolarHBondContact O-N 3.26Å; C1254-R1256 VanDerWaalsContact C-N 3.28Å; C1254-R1256 PolarHBondContact O-N 2.99Å; C1254-V1257 PolarHBondContact O-N 3.4Å; C1254-H1258 WeakPolarHBondContact O-CB 3.35Å; C1254-H1258 PolarHBondContact O-N 3.38Å |
| 1255 | K | 63.5 | Low | 60.9 | Low | 134 Ų | 134 | 81 Ų | 81 | 58% | 0.583 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -52.4 | -46.5 | 175.6 | -72.6 | 171.5 | -178.1 | 169 | 0 | 112.1 | S1251 V1257 H1258 E1259 | S1251-K1255 WeakPolarHBondContact O-CG 3.48Å; S1251-K1255 PolarHBondContact O-N 3.19Å; K1255-V1257 PolarHBondContact O-N 3.13Å; K1255-H1258 PolarHBondContact O-N 3.11Å; K1255-E1259 WeakPolarHBondContact O-CG 3.45Å; K1255-E1259 PolarHBondContact O-N 3.19Å |
| 1256 | R | 62.8 | Low | 58.9 | Low | 176 Ų | 176 | 85.9 Ų | 85.9 | 66% | 0.664 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67 | -36.7 | -175.3 | -144.8 | 172.9 | -169.1 | 178 | 1.7 | 112.9 | D1252 L1253 C1254 L1260 | D1252-R1256 PolarHBondContact O-N 3.33Å; L1253-R1256 PolarHBondContact O-N 3.38Å; C1254-R1256 VanDerWaalsContact C-N 3.28Å; C1254-R1256 PolarHBondContact O-N 2.99Å; R1256-L1260 WeakPolarHBondContact O-CD1 3.22Å; R1256-L1260 VanDerWaalsContact O-CG 3.3Å; R1256-L1260 WeakPolarHBondContact O-CG 3.4Å; R1256-L1260 PolarHBondContact O-N 3.45Å |
| 1257 | V | 60.1 | Low | 57.3 | Low | 8 Ų | 8 | 87 Ų | 87 | 5% | 0.048 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -71.6 | -41 | 173.2 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | I1217 L1253 C1254 K1255 E1259 L1260 Q1261 V1271 I1275 | I1217-V1257 HydrophobicContact CD1-CB 4.11Å; I1217-V1257 HydrophobicContact CD1-CG1 3.8Å; I1217-V1257 HydrophobicContact CG1-CG1 4.47Å; L1253-V1257 WeakPolarHBondContact O-CG2 3.16Å; L1253-V1257 PolarHBondContact O-N 3.02Å; C1254-V1257 PolarHBondContact O-N 3.4Å; K1255-V1257 PolarHBondContact O-N 3.13Å; V1257-E1259 PolarHBondContact O-N 3.27Å; V1257-L1260 PolarHBondContact O-N 2.76Å; V1257-L1260 VanDerWaalsContact O-N 3.13Å; V1257-Q1261 HydrophobicContact CG1-CG 4.26Å; V1257-Q1261 WeakPolarHBondContact O-CG 3.16Å; V1257-Q1261 PolarHBondContact O-N 3.5Å; V1257-V1271 HydrophobicContact CG1-CG1 4.43Å; V1257-I1275 HydrophobicContact CG2-CD1 4.17Å |
| 1258 | H | 60.8 | Low | 56 | Low | 81 Ų | 81 | 90 Ų | 90 | 38% | 0.375 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 176.7 | -137.7 | 75.8 | 0 | 0 | 0 | 111.9 | E1219 C1254 K1255 L1260 N1262 | E1219-H1258 IonicContact OE2-CE1 2.63Å; C1254-H1258 WeakPolarHBondContact O-CB 3.35Å; C1254-H1258 PolarHBondContact O-N 3.38Å; K1255-H1258 PolarHBondContact O-N 3.11Å; H1258-L1260 VanDerWaalsContact C-N 3.29Å; H1258-L1260 PolarHBondContact O-N 3.41Å; H1258-N1262 WeakPolarHBondContact O-CB 3.17Å; H1258-N1262 PolarHBondContact O-N 2.7Å; H1258-N1262 VanDerWaalsContact O-N 3.09Å; H1258-N1262 PolarHBondContact O-ND2 2.84Å |
| 1259 | E | 60.3 | Low | 55 | Low | 134 Ų | 134 | 94.1 Ų | 94.1 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.4 | -32.9 | 173.2 | -78.2 | 177.3 | 179.9 | 0 | 0 | 113.1 | K1255 V1257 K1263 | K1255-E1259 WeakPolarHBondContact O-CG 3.45Å; K1255-E1259 PolarHBondContact O-N 3.19Å; V1257-E1259 PolarHBondContact O-N 3.27Å; E1259-K1263 WeakPolarHBondContact O-CB 3.33Å |
| 1260 | L | 55 | Low | 54.3 | Low | 40 Ų | 40 | 98.2 Ų | 98.2 | 21% | 0.209 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -82.2 | -41 | 179.6 | -71.5 | 166.5 | 0 | 0 | 0 | 112.3 | R1256 V1257 H1258 N1262 K1263 Y1264 F1270 | R1256-L1260 WeakPolarHBondContact O-CD1 3.22Å; R1256-L1260 VanDerWaalsContact O-CG 3.3Å; R1256-L1260 WeakPolarHBondContact O-CG 3.4Å; R1256-L1260 PolarHBondContact O-N 3.45Å; V1257-L1260 PolarHBondContact O-N 2.76Å; V1257-L1260 VanDerWaalsContact O-N 3.13Å; H1258-L1260 VanDerWaalsContact C-N 3.29Å; H1258-L1260 PolarHBondContact O-N 3.41Å; L1260-N1262 VanDerWaalsContact C-N 3.32Å; L1260-N1262 PolarHBondContact O-N 2.73Å; L1260-K1263 PolarHBondContact O-N 3.08Å; L1260-K1263 VanDerWaalsContact O-N 3.1Å; L1260-Y1264 HydrophobicContact CD2-CE2 4.46Å; L1260-Y1264 PolarHBondContact O-N 3.47Å; L1260-F1270 HydrophobicContact CD1-CD1 4.15Å; L1260-F1270 HydrophobicContact CD1-CE1 3.81Å; L1260-F1270 HydrophobicContact CD2-CE1 4.29Å |
| 1261 | Q | 50.9 | Low | 53.6 | Low | 92 Ų | 92 | 95.9 Ų | 95.9 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 174.7 | -73.5 | -177.5 | -71.6 | 0 | 0 | 112.3 | V1257 K1263 | V1257-Q1261 HydrophobicContact CG1-CG 4.26Å; V1257-Q1261 WeakPolarHBondContact O-CG 3.16Å; V1257-Q1261 PolarHBondContact O-N 3.5Å; Q1261-K1263 PolarHBondContact O-N 3.36Å |
| 1262 | N | 50.1 | Low | 53 | Low | 130 Ų | 130 | 93.4 Ų | 93.4 | 70% | 0.695 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -6.8 | 175.4 | -79.1 | -73.3 | 0 | 0 | 0 | 114 | H1258 L1260 | H1258-N1262 WeakPolarHBondContact O-CB 3.17Å; H1258-N1262 PolarHBondContact O-N 2.7Å; H1258-N1262 VanDerWaalsContact O-N 3.09Å; H1258-N1262 PolarHBondContact O-ND2 2.84Å; L1260-N1262 VanDerWaalsContact C-N 3.32Å; L1260-N1262 PolarHBondContact O-N 2.73Å |
| 1263 | K | 48.1 | Very low | 52.6 | Low | 157 Ų | 157 | 91.1 Ų | 91.1 | 68% | 0.683 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -18 | -171.1 | -155.9 | 168.5 | -168.3 | 172.9 | 0 | 114.4 | E1259 L1260 Q1261 | E1259-K1263 WeakPolarHBondContact O-CB 3.33Å; L1260-K1263 PolarHBondContact O-N 3.08Å; L1260-K1263 VanDerWaalsContact O-N 3.1Å; Q1261-K1263 PolarHBondContact O-N 3.36Å |
| 1264 | Y | 43.9 | Very low | 52.1 | Low | 138 Ų | 138 | 91.3 Ų | 91.3 | 54% | 0.541 | 46% | 0.459 | S | S | . | . | trans | -139.2 | 129.1 | 177.7 | -60.1 | -75 | 0 | 0 | 0 | 109.3 | L1260 V1266 V1267 | L1260-Y1264 HydrophobicContact CD2-CE2 4.46Å; L1260-Y1264 PolarHBondContact O-N 3.47Å; Y1264-V1266 PolarHBondContact O-N 3.35Å; Y1264-V1267 HydrophobicContact CD2-CG1 4.46Å; Y1264-V1267 WeakPolarHBondContact O-CG2 3.33Å | ||
| 1265 | L | 41.1 | Very low | 51.8 | Low | 177 Ų | 177 | 90.4 Ų | 90.4 | 93% | 0.927 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -77.1 | -10.9 | 179.6 | -140.2 | 75.9 | 0 | 0 | 0 | 113.2 | ||
| 1266 | V | 36.5 | Very low | 51.4 | Low | 128 Ų | 128 | 87.2 Ų | 87.2 | 78% | 0.776 | 45% | 0.447 | S | S | * | . | trans | -136.7 | 103.8 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | Y1264 | Y1264-V1266 PolarHBondContact O-N 3.35Š| ||
| 1267 | V | 42.7 | Very low | 51.3 | Low | 26 Ų | 26 | 82.8 Ų | 82.8 | 16% | 0.158 | 44% | 0.443 | C | S | . | . | trans | -128.8 | 6 | -172.4 | -136.1 | 0 | 0 | 0 | 0 | 113.8 | Y1264 N1269 F1270 V1271 | Y1264-V1267 HydrophobicContact CD2-CG1 4.46Å; Y1264-V1267 WeakPolarHBondContact O-CG2 3.33Å; V1267-N1269 VanDerWaalsContact C-N 3.29Å; V1267-N1269 PolarHBondContact O-N 3.43Å; V1267-N1269 VanDerWaalsContact O-N 3.11Å; V1267-F1270 HydrophobicContact CG1-CB 4.4Å; V1267-F1270 PolarHBondContact O-N 3.17Å; V1267-F1270 VanDerWaalsContact O-N 3.15Å; V1267-V1271 HydrophobicContact CB-CG2 3.82Å; V1267-V1271 HydrophobicContact CG1-CG2 3.82Å; V1267-V1271 PolarHBondContact O-N 3.22Å | ||
| 1268 | S | 46.1 | Very low | 51.2 | Low | 75 Ų | 75 | 85 Ų | 85 | 52% | 0.524 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -45 | -50.8 | -170.8 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | A1272 | S1268-A1272 WeakPolarHBondContact O-CB 3.18Å; S1268-A1272 PolarHBondContact O-N 3.15Å |
| 1269 | N | 48 | Very low | 51 | Low | 134 Ų | 134 | 82.6 Ų | 82.6 | 72% | 0.717 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -75.1 | -34.4 | -170.7 | -60 | 3.1 | 0 | 0 | 0 | 112.3 | V1267 S1273 | V1267-N1269 VanDerWaalsContact C-N 3.29Å; V1267-N1269 PolarHBondContact O-N 3.43Å; V1267-N1269 VanDerWaalsContact O-N 3.11Å; N1269-S1273 WeakPolarHBondContact O-CB 3.36Å; N1269-S1273 PolarHBondContact O-N 3.44Å |
| 1270 | F | 48.7 | Very low | 51 | Low | 118 Ų | 118 | 80.9 Ų | 80.9 | 52% | 0.518 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -81.2 | -36.6 | -179.9 | -169.7 | -96.2 | 0 | 0 | 0 | 112.1 | L1260 V1267 S1273 T1274 | L1260-F1270 HydrophobicContact CD1-CD1 4.15Å; L1260-F1270 HydrophobicContact CD1-CE1 3.81Å; L1260-F1270 HydrophobicContact CD2-CE1 4.29Å; V1267-F1270 HydrophobicContact CG1-CB 4.4Å; V1267-F1270 PolarHBondContact O-N 3.17Å; V1267-F1270 VanDerWaalsContact O-N 3.15Å; F1270-S1273 PolarHBondContact O-N 3.03Å; F1270-T1274 WeakPolarHBondContact O-CB 3.14Å; F1270-T1274 PolarHBondContact O-N 3.39Å; F1270-T1274 PolarHBondContact O-OG1 3.44Å |
| 1271 | V | 52.9 | Low | 51.5 | Low | 16 Ų | 16 | 84.2 Ų | 84.2 | 10% | 0.097 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68.5 | -44.9 | 172.4 | 173 | 0 | 0 | 0 | 0 | 110.4 | V1257 V1267 S1273 T1274 I1275 | V1257-V1271 HydrophobicContact CG1-CG1 4.43Å; V1267-V1271 HydrophobicContact CB-CG2 3.82Å; V1267-V1271 HydrophobicContact CG1-CG2 3.82Å; V1267-V1271 PolarHBondContact O-N 3.22Å; V1271-S1273 VanDerWaalsContact C-N 3.34Å; V1271-S1273 PolarHBondContact O-N 2.95Å; V1271-T1274 PolarHBondContact O-N 3.3Å; V1271-I1275 HydrophobicContact CG1-CD1 3.7Å; V1271-I1275 WeakPolarHBondContact O-CG1 3.44Å; V1271-I1275 PolarHBondContact O-N 3.11Å |
| 1272 | A | 50 | Low | 52.2 | Low | 26 Ų | 26 | 81 Ų | 81 | 22% | 0.215 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1215 S1268 S1276 | Y1215-A1272 HydrophobicContact CD2-CB 3.96Å; Y1215-A1272 HydrophobicContact CE2-CB 4.25Å; S1268-A1272 WeakPolarHBondContact O-CB 3.18Å; S1268-A1272 PolarHBondContact O-N 3.15Å; A1272-S1276 WeakPolarHBondContact O-CB 3.4Å; A1272-S1276 PolarHBondContact O-N 2.99Å; A1272-S1276 PolarHBondContact O-OG 2.91Å |
| 1273 | S | 56.5 | Low | 52.9 | Low | 72 Ų | 72 | 78 Ų | 78 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 173.4 | 173.9 | 0 | 0 | 0 | 0 | 112.2 | N1269 F1270 V1271 I1275 S1277 | N1269-S1273 WeakPolarHBondContact O-CB 3.36Å; N1269-S1273 PolarHBondContact O-N 3.44Å; F1270-S1273 PolarHBondContact O-N 3.03Å; V1271-S1273 VanDerWaalsContact C-N 3.34Å; V1271-S1273 PolarHBondContact O-N 2.95Å; S1273-I1275 PolarHBondContact O-N 2.95Å; S1273-S1277 PolarHBondContact O-N 2.9Å; S1273-S1277 VanDerWaalsContact O-N 3.13Å; S1273-S1277 PolarHBondContact O-OG 3.1Å |
| 1274 | T | 55.3 | Low | 53.7 | Low | 34 Ų | 34 | 74.1 Ų | 74.1 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.4 | -33.9 | -179.3 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | F1270 V1271 S1277 N1278 | F1270-T1274 WeakPolarHBondContact O-CB 3.14Å; F1270-T1274 PolarHBondContact O-N 3.39Å; F1270-T1274 PolarHBondContact O-OG1 3.44Å; V1271-T1274 PolarHBondContact O-N 3.3Å; T1274-S1277 PolarHBondContact O-OG 3.17Å; T1274-N1278 PolarHBondContact O-ND2 2.95Å |
| 1275 | I | 53.9 | Low | 54.7 | Low | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.015 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -94.8 | -31.7 | -176.2 | -54.9 | 172.5 | 0 | 0 | 0 | 111.8 | F1236 V1257 V1271 S1273 S1277 N1278 I1279 | F1236-I1275 HydrophobicContact CD1-CG2 3.94Å; F1236-I1275 HydrophobicContact CD2-CD1 3.97Å; F1236-I1275 HydrophobicContact CD2-CG2 4.48Å; F1236-I1275 HydrophobicContact CE1-CB 4.4Å; F1236-I1275 HydrophobicContact CE1-CG2 3.33Å; F1236-I1275 HydrophobicContact CE2-CB 4.46Å; F1236-I1275 HydrophobicContact CE2-CD1 3.31Å; F1236-I1275 HydrophobicContact CE2-CG1 4.42Å; F1236-I1275 HydrophobicContact CE2-CG2 3.98Å; F1236-I1275 HydrophobicContact CG-CG2 4.46Å; F1236-I1275 HydrophobicContact CZ-CB 3.95Å; F1236-I1275 HydrophobicContact CZ-CD1 3.69Å; F1236-I1275 HydrophobicContact CZ-CG1 4.39Å; F1236-I1275 HydrophobicContact CZ-CG2 3.33Å; V1257-I1275 HydrophobicContact CG2-CD1 4.17Å; V1271-I1275 HydrophobicContact CG1-CD1 3.7Å; V1271-I1275 WeakPolarHBondContact O-CG1 3.44Å; V1271-I1275 PolarHBondContact O-N 3.11Å; S1273-I1275 PolarHBondContact O-N 2.95Å; I1275-S1277 PolarHBondContact O-N 3.3Å; I1275-N1278 CarbonylContact O-C 3.46Å; I1275-N1278 PolarHBondContact O-N 3.3Å; I1275-I1279 HydrophobicContact CG2-CD1 4.23Å; I1275-I1279 HydrophobicContact CG2-CG1 3.99Å; I1275-I1279 WeakPolarHBondContact O-CG1 3.35Å; I1275-I1279 PolarHBondContact O-N 3.45Å |
| 1276 | S | 55.4 | Low | 55.9 | Low | 66 Ų | 66 | 66.1 Ų | 66.1 | 46% | 0.462 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.2 | -32.3 | 167.2 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | A1272 N1278 | A1272-S1276 WeakPolarHBondContact O-CB 3.4Å; A1272-S1276 PolarHBondContact O-N 2.99Å; A1272-S1276 PolarHBondContact O-OG 2.91Å; S1276-N1278 VanDerWaalsContact C-N 3.29Å; S1276-N1278 PolarHBondContact O-N 3.41Å |
| 1277 | S | 61.2 | Low | 57.7 | Low | 83 Ų | 83 | 65.6 Ų | 65.6 | 58% | 0.58 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -8.3 | 173.7 | 53 | 0 | 0 | 0 | 0 | 114.7 | S1273 T1274 I1275 | S1273-S1277 PolarHBondContact O-N 2.9Å; S1273-S1277 VanDerWaalsContact O-N 3.13Å; S1273-S1277 PolarHBondContact O-OG 3.1Å; T1274-S1277 PolarHBondContact O-OG 3.17Å; I1275-S1277 PolarHBondContact O-N 3.3Å |
| 1278 | N | 58.4 | Low | 58.7 | Low | 56 Ų | 56 | 65.8 Ų | 65.8 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -16.1 | -179.1 | -75.7 | -77.6 | 0 | 0 | 0 | 114.6 | T1274 I1275 S1276 N1280 N1281 | T1274-N1278 PolarHBondContact O-ND2 2.95Å; I1275-N1278 CarbonylContact O-C 3.46Å; I1275-N1278 PolarHBondContact O-N 3.3Å; S1276-N1278 VanDerWaalsContact C-N 3.29Å; S1276-N1278 PolarHBondContact O-N 3.41Å; N1278-N1280 PolarHBondContact O-N 2.72Å; N1278-N1280 VanDerWaalsContact O-N 3.1Å; N1278-N1281 PolarHBondContact O-N 3.27Å |
| 1279 | I | 55.8 | Low | 59.8 | Low | 29 Ų | 29 | 64.8 Ų | 64.8 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -51.7 | -36.4 | -175.6 | -92.7 | 165.5 | 0 | 0 | 0 | 113.8 | Y1215 F1236 W1247 I1275 N1281 L1282 | Y1215-I1279 HydrophobicContact CE1-CD1 3.77Å; F1236-I1279 HydrophobicContact CE1-CD1 4.3Å; W1247-I1279 HydrophobicContact CZ2-CG1 4.4Å; W1247-I1279 HydrophobicContact CZ2-CG2 4.27Å; I1275-I1279 HydrophobicContact CG2-CD1 4.23Å; I1275-I1279 HydrophobicContact CG2-CG1 3.99Å; I1275-I1279 WeakPolarHBondContact O-CG1 3.35Å; I1275-I1279 PolarHBondContact O-N 3.45Å; I1279-N1281 PolarHBondContact O-N 2.59Å; I1279-N1281 VanDerWaalsContact O-N 3.17Å; I1279-L1282 PolarHBondContact O-N 2.98Å |
| 1280 | N | 61.2 | Low | 60.4 | Low | 99 Ų | 99 | 60 Ų | 60 | 53% | 0.529 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -69.1 | -9.8 | 179.2 | -63.3 | 3.3 | 0 | 0 | 0 | 114.1 | N1278 D1834 | N1278-N1280 PolarHBondContact O-N 2.72Å; N1278-N1280 VanDerWaalsContact O-N 3.1Å; N1280-D1834 PolarHBondContact O-N 2.96Å |
| 1281 | N | 64.7 | Low | 60.4 | Low | 110 Ų | 110 | 60 Ų | 60 | 59% | 0.588 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -112.3 | 6 | -179.3 | -68.8 | -44.5 | 0 | 0 | 0 | 113.3 | N1278 I1279 | N1278-N1281 PolarHBondContact O-N 3.27Å; I1279-N1281 PolarHBondContact O-N 2.59Å; I1279-N1281 VanDerWaalsContact O-N 3.17Å |
| 1282 | L | 65.6 | Low | 60.5 | Low | 24 Ų | 24 | 60.3 Ų | 60.3 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -104.3 | 141.2 | -179.8 | -60 | 176.7 | 0 | 0 | 0 | 110.3 | W1247 P1250 I1279 | W1247-L1282 HydrophobicContact CB-CB 3.96Å; W1247-L1282 HydrophobicContact CB-CD1 4.38Å; W1247-L1282 VanDerWaalsContact CD1-CB 3.48Å; W1247-L1282 HydrophobicContact CG-CB 3.94Å; P1250-L1282 HydrophobicContact CG-CD2 3.99Å; I1279-L1282 PolarHBondContact O-N 2.98Å |
| 1283 | S | 63.8 | Low | 60.6 | Low | 68 Ų | 68 | 62.9 Ų | 62.9 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | trans | -74.7 | 126 | 173.8 | 38.9 | 0 | 0 | 0 | 0 | 111 | W1247 D1248 R1285 | W1247-S1283 CarbonylContact C-O 3.59Å; W1247-S1283 WeakPolarHBondContact CA-O 2.92Å; W1247-S1283 WeakPolarHBondContact CB-O 3.3Å; D1248-S1283 PolarHBondContact N-O 3.06Å; D1248-S1283 VanDerWaalsContact N-O 3.08Å; D1248-S1283 WeakPolarHBondContact OD2-CB 3.4Å; D1248-S1283 PolarHBondContact OD2-OG 2.89Å; S1283-R1285 PolarHBondContact O-N 2.92Å | ||
| 1284 | V | 65.4 | Low | 59.8 | Low | 74 Ų | 74 | 68.5 Ų | 68.5 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 116.2 | 171.5 | 179 | 0 | 0 | 0 | 0 | 108.5 | M1245 L1246 E1287 | M1245-V1284 HydrophobicContact CE-CG1 4.05Å; M1245-V1284 HydrophobicContact CE-CG2 4.05Å; L1246-V1284 CarbonylContact O-C 3.57Å; L1246-V1284 WeakPolarHBondContact O-CA 2.26Å; V1284-E1287 HydrophobicContact CG1-CB 4.44Å |
| 1285 | R | 65.7 | Low | 59.1 | Low | 95 Ų | 95 | 72 Ų | 72 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -28.4 | -180 | -162.9 | -172.2 | -174.5 | 112.3 | -9 | 112.4 | E1233 L1246 D1248 S1283 | E1233-R1285 IonicContact OE2-CZ 2.72Å; E1233-R1285 IonicContact OE2-NH1 3.7Å; E1233-R1285 PolarHBondContact OE2-NH1 2.84Å; E1233-R1285 IonicContact OE2-NH2 3.63Å; E1233-R1285 PolarHBondContact OE2-NH2 2.61Å; E1233-R1285 VanDerWaalsContact OE2-NH2 3.09Å; L1246-R1285 HydrophobicContact CB-CB 4.35Å; L1246-R1285 PolarHBondContact O-N 3.44Å; D1248-R1285 VanDerWaalsContact OD1-CD 3.22Å; D1248-R1285 WeakPolarHBondContact OD1-CD 3Å; D1248-R1285 IonicContact OD1-CZ 3.39Å; D1248-R1285 IonicContact OD1-NE 3.62Å; D1248-R1285 IonicContact OD1-NH1 2.69Å; D1248-R1285 PolarHBondContact OD1-NH1 2.8Å; S1283-R1285 PolarHBondContact O-N 2.92Å |
| 1286 | L | 66.9 | Low | 58.5 | Low | 53 Ų | 53 | 74.1 Ų | 74.1 | 28% | 0.277 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 139 | 176 | -177.2 | 65.3 | 0 | 0 | 0 | 110.2 | M1245 L1246 M1288 | M1245-L1286 CarbonylContact C-O 3.53Å; M1245-L1286 WeakPolarHBondContact CA-O 3.29Å; L1246-L1286 HydrophobicContact CB-CB 4.01Å; L1246-L1286 HydrophobicContact CD1-CB 3.94Å; L1246-L1286 HydrophobicContact CD1-CD2 3.89Å; L1246-L1286 HydrophobicContact CG-CB 4.05Å; L1246-L1286 HydrophobicContact CG-CD2 4.42Å; L1246-L1286 PolarHBondContact N-O 3.34Å; L1246-L1286 PolarHBondContact O-N 2.8Å; L1286-M1288 HydrophobicContact CD2-CE 4.27Å; L1286-M1288 HydrophobicContact CG-CB 4.43Å |
| 1287 | E | 73.8 | Confident | 57.6 | Low | 116 Ų | 116 | 82.3 Ų | 82.3 | 54% | 0.542 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.5 | 163 | 174 | 165.8 | -161.5 | 0 | 0 | 107.8 | H1243 M1245 V1284 | H1243-E1287 IonicContact CD2-OE1 3.87Å; M1245-E1287 HydrophobicContact CE-CB 4.48Å; M1245-E1287 HydrophobicContact SD-CB 3.7Å; M1245-E1287 HydrophobicContact SD-CG 3.47Å; M1245-E1287 WeakPolarHBondContact SD-CG 2.26Å; V1284-E1287 HydrophobicContact CG1-CB 4.44Å |
| 1288 | M | 63.3 | Low | 56.5 | Low | 30 Ų | 30 | 83.3 Ų | 83.3 | 15% | 0.148 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 125.2 | -175.8 | 176.5 | 170 | 52.6 | 0 | 0 | 111.1 | H1243 L1244 L1286 L1293 | H1243-M1288 CarbonylContact C-O 3.59Å; H1243-M1288 VanDerWaalsContact CA-O 3.27Å; H1243-M1288 WeakPolarHBondContact CA-O 3.08Å; L1244-M1288 HydrophobicContact CD2-CE 4.18Å; L1244-M1288 PolarHBondContact N-O 3.1Å; L1244-M1288 PolarHBondContact O-N 3.48Å; L1286-M1288 HydrophobicContact CD2-CE 4.27Å; L1286-M1288 HydrophobicContact CG-CB 4.43Å; M1288-L1293 HydrophobicContact CE-CD1 3.98Å; M1288-L1293 HydrophobicContact CE-CD2 3.66Å; M1288-L1293 HydrophobicContact CE-CG 3.75Å; M1288-L1293 HydrophobicContact SD-CD2 4.28Å; M1288-L1293 HydrophobicContact SD-CG 4.2Å |
| 1289 | P | 68.1 | Low | 55.5 | Low | 55 Ų | 55 | 83.3 Ų | 83.3 | 36% | 0.357 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 139 | 174.2 | -22.6 | 32.2 | 0 | 0 | 0 | 112.1 | T1242 N1291 S1292 | T1242-P1289 CarbonylContact O-C 3.59Å; T1242-P1289 WeakPolarHBondContact O-CA 3.27Å; P1289-N1291 PolarHBondContact O-N 2.88Å; P1289-S1292 WeakPolarHBondContact O-CA 3.43Å; P1289-S1292 VanDerWaalsContact O-CB 3.22Å; P1289-S1292 WeakPolarHBondContact O-CB 3.39Å; P1289-S1292 PolarHBondContact O-N 3.48Å |
| 1290 | L | 61.6 | Low | 54.4 | Low | 33 Ų | 33 | 86.6 Ų | 86.6 | 17% | 0.173 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.4 | -32.8 | 177.8 | -90.5 | 162.9 | 0 | 0 | 0 | 112.6 | L1239 S1240 T1242 S1292 L1293 Y1294 | L1239-L1290 HydrophobicContact CD1-CD1 3.78Å; L1239-L1290 HydrophobicContact CD1-CD2 3.69Å; L1239-L1290 HydrophobicContact CD1-CG 4.07Å; S1240-L1290 WeakPolarHBondContact O-CD1 2.91Å; T1242-L1290 PolarHBondContact O-N 3.46Å; L1290-S1292 PolarHBondContact O-N 3.03Å; L1290-L1293 HydrophobicContact CD2-CD1 3.95Å; L1290-L1293 WeakPolarHBondContact O-CB 3.44Å; L1290-L1293 PolarHBondContact O-N 3.17Å; L1290-Y1294 WeakPolarHBondContact O-CD2 3.46Å; L1290-Y1294 PolarHBondContact O-N 3.49Å |
| 1291 | N | 48.7 | Very low | 53.1 | Low | 117 Ų | 117 | 85.6 Ų | 85.6 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.3 | -30.6 | 173.3 | -69.1 | 0.4 | 0 | 0 | 0 | 111.9 | P1289 L1293 Y1294 H1295 | P1289-N1291 PolarHBondContact O-N 2.88Å; N1291-L1293 VanDerWaalsContact C-N 3.29Å; N1291-L1293 PolarHBondContact O-N 2.96Å; N1291-Y1294 PolarHBondContact O-N 3.18Å; N1291-H1295 PolarHBondContact O-CD2 3.44Å; N1291-H1295 VanDerWaalsContact O-CD2 3.23Å; N1291-H1295 PolarHBondContact O-N 3.1Å |
| 1292 | S | 55.6 | Low | 51.6 | Low | 23 Ų | 23 | 83.9 Ų | 83.9 | 16% | 0.161 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -67.1 | -29.5 | 174.9 | -52.8 | 0 | 0 | 0 | 0 | 112.2 | P1289 L1290 V1296 | P1289-S1292 WeakPolarHBondContact O-CA 3.43Å; P1289-S1292 VanDerWaalsContact O-CB 3.22Å; P1289-S1292 WeakPolarHBondContact O-CB 3.39Å; P1289-S1292 PolarHBondContact O-N 3.48Å; L1290-S1292 PolarHBondContact O-N 3.03Å; S1292-V1296 VanDerWaalsContact O-CG2 3.3Å; S1292-V1296 WeakPolarHBondContact O-CG2 3.44Å |
| 1293 | L | 51 | Low | 50.6 | Low | 80 Ų | 80 | 87.7 Ų | 87.7 | 42% | 0.419 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.4 | -37.8 | 172.1 | -76.4 | 164.3 | 0 | 0 | 0 | 112.2 | M1288 L1290 N1291 H1295 V1296 | M1288-L1293 HydrophobicContact CE-CD1 3.98Å; M1288-L1293 HydrophobicContact CE-CD2 3.66Å; M1288-L1293 HydrophobicContact CE-CG 3.75Å; M1288-L1293 HydrophobicContact SD-CD2 4.28Å; M1288-L1293 HydrophobicContact SD-CG 4.2Å; L1290-L1293 HydrophobicContact CD2-CD1 3.95Å; L1290-L1293 WeakPolarHBondContact O-CB 3.44Å; L1290-L1293 PolarHBondContact O-N 3.17Å; N1291-L1293 VanDerWaalsContact C-N 3.29Å; N1291-L1293 PolarHBondContact O-N 2.96Å; L1293-H1295 VanDerWaalsContact C-N 3.26Å; L1293-H1295 PolarHBondContact O-N 2.77Å; L1293-V1296 PolarHBondContact O-N 2.99Å |
| 1294 | Y | 40.1 | Very low | 49.6 | Very low | 191 Ų | 191 | 85.6 Ų | 85.6 | 75% | 0.749 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65 | -24.1 | -179.9 | -84.8 | -80.5 | 0 | 0 | 0 | 114.4 | L1290 N1291 | L1290-Y1294 WeakPolarHBondContact O-CD2 3.46Å; L1290-Y1294 PolarHBondContact O-N 3.49Å; N1291-Y1294 PolarHBondContact O-N 3.18Å |
| 1295 | H | 40.4 | Very low | 48.2 | Very low | 107 Ų | 107 | 83.9 Ų | 83.9 | 50% | 0.495 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -3.9 | -178 | -71.4 | -67.3 | 0 | 0 | 0 | 114.5 | N1291 L1293 R1297 Q1323 | N1291-H1295 PolarHBondContact O-CD2 3.44Å; N1291-H1295 VanDerWaalsContact O-CD2 3.23Å; N1291-H1295 PolarHBondContact O-N 3.1Å; L1293-H1295 VanDerWaalsContact C-N 3.26Å; L1293-H1295 PolarHBondContact O-N 2.77Å; H1295-R1297 PolarHBondContact O-N 3.39Å; H1295-R1297 VanDerWaalsContact O-N 3.14Å; H1295-Q1323 PolarHBondContact O-NE2 2.68Å |
| 1296 | V | 41 | Very low | 47.1 | Very low | 47 Ų | 47 | 87.1 Ų | 87.1 | 29% | 0.285 | 45% | 0.452 | S | S | . | . | trans | -87.2 | 79.9 | 177.8 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | S1292 L1293 S1298 V1299 F1316 I1319 | S1292-V1296 VanDerWaalsContact O-CG2 3.3Å; S1292-V1296 WeakPolarHBondContact O-CG2 3.44Å; L1293-V1296 PolarHBondContact O-N 2.99Å; V1296-S1298 PolarHBondContact O-N 3.35Å; V1296-V1299 HydrophobicContact CG1-CG2 3.61Å; V1296-F1316 HydrophobicContact CG1-CE1 4.32Å; V1296-F1316 HydrophobicContact CG2-CD1 4.29Å; V1296-I1319 HydrophobicContact CG2-CG2 4.44Å | ||
| 1297 | R | 37.2 | Very low | 46.2 | Very low | 239 Ų | 239 | 89.4 Ų | 89.4 | 90% | 0.902 | 46% | 0.461 | S | S | * | . | trans | -75 | 112.9 | 168.7 | -79.7 | -174.7 | 172.3 | 176.1 | -1.4 | 110.7 | H1295 | H1295-R1297 PolarHBondContact O-N 3.39Å; H1295-R1297 VanDerWaalsContact O-N 3.14Å | ||
| 1298 | S | 38 | Very low | 44.8 | Very low | 104 Ų | 104 | 91.2 Ų | 91.2 | 73% | 0.727 | 46% | 0.463 | S | S | * | . | trans | 46.5 | 74.8 | 164.2 | -168.9 | 0 | 0 | 0 | 0 | 116.1 | V1296 N1300 | V1296-S1298 PolarHBondContact O-N 3.35Å; S1298-N1300 PolarHBondContact O-N 2.86Å | ||
| 1299 | V | 37.8 | Very low | 43.9 | Very low | 56 Ų | 56 | 94.7 Ų | 94.7 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | trans | -61.1 | 119.2 | 161 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | V1296 V1304 | V1296-V1299 HydrophobicContact CG1-CG2 3.61Å; V1299-V1304 HydrophobicContact CG1-CB 3.58Å; V1299-V1304 HydrophobicContact CG1-CG1 4.29Å; V1299-V1304 HydrophobicContact CG1-CG2 3.47Å; V1299-V1304 VanDerWaalsContact CG1-CG2 3.47Å | ||
| 1300 | N | 32.7 | Very low | 43 | Very low | 97 Ų | 97 | 98.7 Ų | 98.7 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | trans | -65.8 | 143.2 | 173.9 | -85.7 | -30.4 | 0 | 0 | 0 | 110.5 | S1298 C1302 D1303 | S1298-N1300 PolarHBondContact O-N 2.86Å; N1300-C1302 PolarHBondContact O-N 2.76Å; N1300-D1303 WeakPolarHBondContact CB-OD2 3.5Å; N1300-D1303 PolarHBondContact O-N 2.87Å | ||
| 1301 | S | 33.4 | Very low | 42.8 | Very low | 78 Ų | 78 | 99.3 Ų | 99.3 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 14.2 | 177.2 | 88.6 | 0 | 0 | 0 | 0 | 114.3 | K1229 C1305 | K1229-S1301 PolarHBondContact NZ-O 3.19Å; K1229-S1301 PolarHBondContact NZ-OG 3Å; S1301-C1305 WeakPolarHBondContact O-CB 3.22Å; S1301-C1305 PolarHBondContact O-SG 3.21Å |
| 1302 | C | 34.5 | Very low | 43 | Very low | 75 Ų | 75 | 94.9 Ų | 94.9 | 51% | 0.507 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -56.8 | 169.7 | -52.3 | 0 | 0 | 0 | 0 | 109.3 | N1300 V1304 C1305 H1306 | N1300-C1302 PolarHBondContact O-N 2.76Å; C1302-V1304 PolarHBondContact O-N 3.39Å; C1302-C1305 PolarHBondContact O-N 3.13Å; C1302-H1306 PolarHBondContact O-CD2 2.79Å; C1302-H1306 VanDerWaalsContact O-CD2 3.28Å |
| 1303 | D | 42.7 | Very low | 42.8 | Very low | 103 Ų | 103 | 97.4 Ų | 97.4 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -28.5 | -163.2 | -46.8 | -48.9 | 0 | 0 | 0 | 113.4 | N1300 E1307 | N1300-D1303 WeakPolarHBondContact CB-OD2 3.5Å; N1300-D1303 PolarHBondContact O-N 2.87Å; D1303-E1307 WeakPolarHBondContact O-CG 3.4Å |
| 1304 | V | 44.3 | Very low | 42.8 | Very low | 24 Ų | 24 | 101.7 Ų | 101.7 | 15% | 0.145 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -4.2 | 179.7 | 157.1 | 0 | 0 | 0 | 0 | 113.2 | V1299 C1302 L1312 V1315 | V1299-V1304 HydrophobicContact CG1-CB 3.58Å; V1299-V1304 HydrophobicContact CG1-CG1 4.29Å; V1299-V1304 HydrophobicContact CG1-CG2 3.47Å; V1299-V1304 VanDerWaalsContact CG1-CG2 3.47Å; C1302-V1304 PolarHBondContact O-N 3.39Å; V1304-L1312 HydrophobicContact CG1-CD2 3.86Å; V1304-L1312 HydrophobicContact CG2-CD2 4.47Å; V1304-V1315 HydrophobicContact CG2-CG1 3.95Å |
| 1305 | C | 36.1 | Very low | 43.6 | Very low | 38 Ų | 38 | 94 Ų | 94 | 26% | 0.257 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -99.2 | 0.8 | 179.7 | -63.9 | 0 | 0 | 0 | 0 | 114.3 | K1229 S1301 C1302 | K1229-C1305 HydrophobicContact CD-CB 3.93Å; K1229-C1305 HydrophobicContact CG-CB 4.5Å; K1229-C1305 PolarHBondContact NZ-SG 3.36Å; S1301-C1305 WeakPolarHBondContact O-CB 3.22Å; S1301-C1305 PolarHBondContact O-SG 3.21Å; C1302-C1305 PolarHBondContact O-N 3.13Å |
| 1306 | H | 41.7 | Very low | 44.2 | Very low | 164 Ų | 164 | 92.6 Ų | 92.6 | 76% | 0.759 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -120.8 | -10.1 | 175.5 | -65.8 | -53.3 | 0 | 0 | 0 | 113.3 | C1302 | C1302-H1306 PolarHBondContact O-CD2 2.79Å; C1302-H1306 VanDerWaalsContact O-CD2 3.28Å |
| 1307 | E | 48.5 | Very low | 44.8 | Very low | 101 Ų | 101 | 95 Ų | 95 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -79.9 | 160.5 | 174.4 | -74.5 | -63.8 | 170.8 | 0 | 0 | 112.8 | D1303 V1315 | D1303-E1307 WeakPolarHBondContact O-CG 3.4Å; E1307-V1315 HydrophobicContact CG-CG2 4.21Å |
| 1308 | R | 44.1 | Very low | 45.5 | Very low | 153 Ų | 153 | 87.6 Ų | 87.6 | 58% | 0.577 | 46% | 0.457 | S | S | * | . | trans | -82.6 | 154.7 | -179.4 | -51.1 | -167.8 | -173.3 | 178.9 | 5 | 111.6 | E1310 D1311 L1312 | R1308-E1310 HydrophobicContact CB-CB 4.15Å; R1308-E1310 HydrophobicContact CB-CG 4.31Å; R1308-E1310 WeakPolarHBondContact CD-OE1 3.28Å; R1308-E1310 IonicContact CZ-OE1 3.2Å; R1308-E1310 IonicContact NE-OE1 2.88Å; R1308-E1310 IonicContact NH1-OE1 3.89Å; R1308-E1310 PolarHBondContact NH1-OE1 3Å; R1308-E1310 IonicContact NH1-OE2 3.13Å; R1308-E1310 PolarHBondContact O-N 3.3Å; R1308-D1311 PolarHBondContact O-N 3.25Å; R1308-L1312 PolarHBondContact O-N 3.42Å | ||
| 1309 | V | 44.4 | Very low | 46.2 | Very low | 103 Ų | 103 | 85 Ų | 85 | 62% | 0.624 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31.8 | 172.3 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | D1311 | V1309-D1311 VanDerWaalsContact C-N 3.3Å; V1309-D1311 PolarHBondContact O-N 2.51Å |
| 1310 | E | 50.2 | Low | 46.5 | Very low | 140 Ų | 140 | 86.2 Ų | 86.2 | 65% | 0.654 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -40.8 | 171.4 | -54 | 172.6 | -108.2 | 0 | 0 | 113 | R1308 | R1308-E1310 HydrophobicContact CB-CB 4.15Å; R1308-E1310 HydrophobicContact CB-CG 4.31Å; R1308-E1310 WeakPolarHBondContact CD-OE1 3.28Å; R1308-E1310 IonicContact CZ-OE1 3.2Å; R1308-E1310 IonicContact NE-OE1 2.88Å; R1308-E1310 IonicContact NH1-OE1 3.89Å; R1308-E1310 PolarHBondContact NH1-OE1 3Å; R1308-E1310 IonicContact NH1-OE2 3.13Å; R1308-E1310 PolarHBondContact O-N 3.3Å |
| 1311 | D | 55.7 | Low | 47.5 | Very low | 45 Ų | 45 | 84.9 Ų | 84.9 | 24% | 0.241 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -14.1 | -166.2 | -69.9 | -71.1 | 0 | 0 | 0 | 113.2 | R1308 V1309 P1313 R1314 V1315 | R1308-D1311 PolarHBondContact O-N 3.25Å; V1309-D1311 VanDerWaalsContact C-N 3.3Å; V1309-D1311 PolarHBondContact O-N 2.51Å; D1311-P1313 VanDerWaalsContact C-CD 3.48Å; D1311-R1314 CarbonylContact O-C 3.57Å; D1311-R1314 WeakPolarHBondContact O-CA 3.49Å; D1311-R1314 VanDerWaalsContact O-CB 3.27Å; D1311-R1314 WeakPolarHBondContact O-CB 3.39Å; D1311-R1314 PolarHBondContact O-N 2.69Å; D1311-V1315 PolarHBondContact O-N 2.72Å |
| 1312 | L | 53.6 | Low | 48.3 | Very low | 24 Ų | 24 | 90.8 Ų | 90.8 | 13% | 0.126 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -50.5 | -46 | 178.1 | -70.4 | 174.3 | 0 | 0 | 0 | 113.9 | V1304 R1308 R1314 V1315 F1316 | V1304-L1312 HydrophobicContact CG1-CD2 3.86Å; V1304-L1312 HydrophobicContact CG2-CD2 4.47Å; R1308-L1312 PolarHBondContact O-N 3.42Å; L1312-R1314 PolarHBondContact O-N 3.13Å; L1312-V1315 PolarHBondContact O-N 3.39Å; L1312-F1316 WeakPolarHBondContact O-CD2 2.96Å; L1312-F1316 PolarHBondContact O-N 2.56Å |
| 1313 | P | 50.3 | Low | 48.6 | Very low | 77 Ų | 77 | 91 Ų | 91 | 50% | 0.5 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.7 | -35.1 | 176.7 | -21.9 | 34.2 | 0 | 0 | 0 | 112.4 | D1311 Q1317 | D1311-P1313 VanDerWaalsContact C-CD 3.48Å; P1313-Q1317 WeakPolarHBondContact O-CB 3.45Å; P1313-Q1317 PolarHBondContact O-N 3.38Å |
| 1314 | R | 52 | Low | 48.3 | Very low | 169 Ų | 169 | 93.4 Ų | 93.4 | 64% | 0.638 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -72.4 | -38 | 178.8 | -164 | 179.9 | -168.8 | 165.7 | 4.5 | 111.8 | D1311 L1312 Q1317 I1318 | D1311-R1314 CarbonylContact O-C 3.57Å; D1311-R1314 WeakPolarHBondContact O-CA 3.49Å; D1311-R1314 VanDerWaalsContact O-CB 3.27Å; D1311-R1314 WeakPolarHBondContact O-CB 3.39Å; D1311-R1314 PolarHBondContact O-N 2.69Å; L1312-R1314 PolarHBondContact O-N 3.13Å; R1314-Q1317 PolarHBondContact O-N 3.22Å; R1314-I1318 HydrophobicContact CG-CD1 4.15Å; R1314-I1318 WeakPolarHBondContact O-CB 2.26Å; R1314-I1318 WeakPolarHBondContact O-CD1 2.26Å; R1314-I1318 VanDerWaalsContact O-CG1 3.24Å; R1314-I1318 WeakPolarHBondContact O-CG1 2.25Å; R1314-I1318 PolarHBondContact O-N 2.85Å |
| 1315 | V | 56.6 | Low | 48 | Very low | 31 Ų | 31 | 99 Ų | 99 | 19% | 0.188 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 172.8 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | V1304 E1307 D1311 L1312 I1318 I1319 | V1304-V1315 HydrophobicContact CG2-CG1 3.95Å; E1307-V1315 HydrophobicContact CG-CG2 4.21Å; D1311-V1315 PolarHBondContact O-N 2.72Å; L1312-V1315 PolarHBondContact O-N 3.39Å; V1315-I1318 PolarHBondContact O-N 3.1Å; V1315-I1319 HydrophobicContact CG1-CD1 4Å; V1315-I1319 VanDerWaalsContact O-CG1 3.31Å; V1315-I1319 WeakPolarHBondContact O-CG1 2.82Å; V1315-I1319 PolarHBondContact O-N 2.9Å; V1315-I1319 VanDerWaalsContact O-N 3.09Å |
| 1316 | F | 52.7 | Low | 47.9 | Very low | 76 Ų | 76 | 101 Ų | 101 | 33% | 0.333 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 176.3 | -73.4 | -64.8 | 0 | 0 | 0 | 112.8 | V1296 L1312 I1319 Y1320 | V1296-F1316 HydrophobicContact CG1-CE1 4.32Å; V1296-F1316 HydrophobicContact CG2-CD1 4.29Å; L1312-F1316 WeakPolarHBondContact O-CD2 2.96Å; L1312-F1316 PolarHBondContact O-N 2.56Å; F1316-I1319 PolarHBondContact O-N 3.34Å; F1316-Y1320 PolarHBondContact O-N 3.13Å |
| 1317 | Q | 54.2 | Low | 47.5 | Very low | 97 Ų | 97 | 99.6 Ų | 99.6 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 174.7 | -169.2 | 65.1 | 47.8 | 0 | 0 | 112.2 | P1313 R1314 I1319 Y1320 D1321 | P1313-Q1317 WeakPolarHBondContact O-CB 3.45Å; P1313-Q1317 PolarHBondContact O-N 3.38Å; R1314-Q1317 PolarHBondContact O-N 3.22Å; Q1317-I1319 VanDerWaalsContact C-N 3.28Å; Q1317-I1319 PolarHBondContact O-N 3.36Å; Q1317-Y1320 WeakPolarHBondContact O-CB 3.46Å; Q1317-Y1320 PolarHBondContact O-N 3.42Å; Q1317-Y1320 VanDerWaalsContact O-N 3.15Å; Q1317-D1321 PolarHBondContact NE2-OD1 3.21Å; Q1317-D1321 VanDerWaalsContact O-CG 3.3Å; Q1317-D1321 PolarHBondContact O-N 2.79Å |
| 1318 | I | 52.4 | Low | 46.5 | Very low | 84 Ų | 84 | 99.2 Ų | 99.2 | 43% | 0.431 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.2 | -34.8 | 177.3 | -71.7 | 164.9 | 0 | 0 | 0 | 111.7 | R1314 V1315 R1322 | R1314-I1318 HydrophobicContact CG-CD1 4.15Å; R1314-I1318 WeakPolarHBondContact O-CB 2.26Å; R1314-I1318 WeakPolarHBondContact O-CD1 2.26Å; R1314-I1318 VanDerWaalsContact O-CG1 3.24Å; R1314-I1318 WeakPolarHBondContact O-CG1 2.25Å; R1314-I1318 PolarHBondContact O-N 2.85Å; V1315-I1318 PolarHBondContact O-N 3.1Å; I1318-R1322 WeakPolarHBondContact O-CB 3.39Å; I1318-R1322 WeakPolarHBondContact O-CG 2.25Å; I1318-R1322 PolarHBondContact O-N 3.01Å |
| 1319 | I | 51.4 | Low | 45.9 | Very low | 50 Ų | 50 | 97.8 Ų | 97.8 | 26% | 0.256 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 174.5 | -68.7 | 164.5 | 0 | 0 | 0 | 110.9 | V1296 V1315 F1316 Q1317 | V1296-I1319 HydrophobicContact CG2-CG2 4.44Å; V1315-I1319 HydrophobicContact CG1-CD1 4Å; V1315-I1319 VanDerWaalsContact O-CG1 3.31Å; V1315-I1319 WeakPolarHBondContact O-CG1 2.82Å; V1315-I1319 PolarHBondContact O-N 2.9Å; V1315-I1319 VanDerWaalsContact O-N 3.09Å; F1316-I1319 PolarHBondContact O-N 3.34Å; Q1317-I1319 VanDerWaalsContact C-N 3.28Å; Q1317-I1319 PolarHBondContact O-N 3.36Å |
| 1320 | Y | 45.9 | Very low | 45.2 | Very low | 82 Ų | 82 | 98.6 Ų | 98.6 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -53.1 | 177.1 | -176.3 | -91.3 | 0 | 0 | 0 | 112.1 | F1316 Q1317 R1322 Q1323 Y1324 | F1316-Y1320 PolarHBondContact O-N 3.13Å; Q1317-Y1320 WeakPolarHBondContact O-CB 3.46Å; Q1317-Y1320 PolarHBondContact O-N 3.42Å; Q1317-Y1320 VanDerWaalsContact O-N 3.15Å; Y1320-R1322 VanDerWaalsContact C-N 3.29Å; Y1320-R1322 PolarHBondContact O-N 2.68Å; Y1320-Q1323 PolarHBondContact O-N 3.21Å; Y1320-Y1324 AromaticContact CE1-CD2 3.89Å; Y1320-Y1324 HydrophobicContact CE1-CD2 3.89Å; Y1320-Y1324 HydrophobicContact CE1-CE2 4.48Å; Y1320-Y1324 HydrophobicContact CE1-CG 4.38Å; Y1320-Y1324 AromaticContact CZ-CD2 3.8Å; Y1320-Y1324 PolarHBondContact O-N 2.81Å; Y1320-Y1324 WeakPolarHBondContact OH-CE2 3.12Å |
| 1321 | D | 51.9 | Low | 44.6 | Very low | 69 Ų | 69 | 98.2 Ų | 98.2 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | -176.7 | -66.7 | -14.9 | 0 | 0 | 0 | 112.1 | Q1317 Q1323 Y1324 L1325 | Q1317-D1321 PolarHBondContact NE2-OD1 3.21Å; Q1317-D1321 VanDerWaalsContact O-CG 3.3Å; Q1317-D1321 PolarHBondContact O-N 2.79Å; D1321-Q1323 VanDerWaalsContact C-N 3.28Å; D1321-Q1323 PolarHBondContact O-N 2.86Å; D1321-Y1324 PolarHBondContact O-N 3.38Å; D1321-L1325 WeakPolarHBondContact O-CG 2.26Å; D1321-L1325 PolarHBondContact O-N 3Å; D1321-L1325 VanDerWaalsContact O-N 3.14Å |
| 1322 | R | 50 | Low | 43.5 | Very low | 202 Ų | 202 | 101.4 Ų | 101.4 | 76% | 0.762 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -31.2 | 175.3 | -86.1 | -179.5 | 160.2 | -175.1 | -4.6 | 113.6 | I1318 Y1320 | I1318-R1322 WeakPolarHBondContact O-CB 3.39Å; I1318-R1322 WeakPolarHBondContact O-CG 2.25Å; I1318-R1322 PolarHBondContact O-N 3.01Å; Y1320-R1322 VanDerWaalsContact C-N 3.29Å; Y1320-R1322 PolarHBondContact O-N 2.68Å |
| 1323 | Q | 42.5 | Very low | 42.3 | Very low | 80 Ų | 80 | 106 Ų | 106 | 37% | 0.374 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -86.2 | -32.2 | 175.8 | -65.1 | -174.1 | 35.6 | 0 | 0 | 112.1 | H1295 Y1320 D1321 S1326 | H1295-Q1323 PolarHBondContact O-NE2 2.68Å; Y1320-Q1323 PolarHBondContact O-N 3.21Å; D1321-Q1323 VanDerWaalsContact C-N 3.28Å; D1321-Q1323 PolarHBondContact O-N 2.86Å; Q1323-S1326 PolarHBondContact O-OG 2.98Å |
| 1324 | Y | 36.2 | Very low | 41 | Very low | 152 Ų | 152 | 109.9 Ų | 109.9 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.8 | -33.8 | -178.3 | -144.6 | -88.3 | 0 | 0 | 0 | 112.5 | Y1320 D1321 S1326 | Y1320-Y1324 AromaticContact CE1-CD2 3.89Å; Y1320-Y1324 HydrophobicContact CE1-CD2 3.89Å; Y1320-Y1324 HydrophobicContact CE1-CE2 4.48Å; Y1320-Y1324 HydrophobicContact CE1-CG 4.38Å; Y1320-Y1324 AromaticContact CZ-CD2 3.8Å; Y1320-Y1324 PolarHBondContact O-N 2.81Å; Y1320-Y1324 WeakPolarHBondContact OH-CE2 3.12Å; D1321-Y1324 PolarHBondContact O-N 3.38Å; Y1324-S1326 VanDerWaalsContact C-N 3.32Å; Y1324-S1326 PolarHBondContact O-N 2.95Å |
| 1325 | L | 37.9 | Very low | 39.7 | Very low | 141 Ų | 141 | 108 Ų | 108 | 74% | 0.738 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -69.8 | -19 | -180 | -76.9 | 165.8 | 0 | 0 | 0 | 114.7 | D1321 | D1321-L1325 WeakPolarHBondContact O-CG 2.26Å; D1321-L1325 PolarHBondContact O-N 3Å; D1321-L1325 VanDerWaalsContact O-N 3.14Å |
| 1326 | S | 33.7 | Very low | 38.2 | Very low | 80 Ų | 80 | 113.2 Ų | 113.2 | 56% | 0.559 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -77.6 | -17.6 | -178.8 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | Q1323 Y1324 | Q1323-S1326 PolarHBondContact O-OG 2.98Å; Y1324-S1326 VanDerWaalsContact C-N 3.32Å; Y1324-S1326 PolarHBondContact O-N 2.95Å |
| 1327 | N | 32.8 | Very low | 37.1 | Very low | 136 Ų | 136 | 112.3 Ų | 112.3 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -101.6 | 19.5 | -165.3 | -65.2 | -14.7 | 0 | 0 | 0 | 114.4 | ||
| 1328 | S | 29 | Very low | 36 | Very low | 93 Ų | 93 | 110.1 Ų | 110.1 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | trans | -118.4 | 15.2 | -162.1 | -64.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1329 | T | 31.2 | Very low | 35.1 | Very low | 122 Ų | 122 | 108.8 Ų | 108.8 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | trans | -125.2 | 131.1 | -174.2 | 45.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1330 | S | 28.4 | Very low | 34.1 | Very low | 120 Ų | 120 | 110.8 Ų | 110.8 | 84% | 0.839 | 59% | 0.593 | S | S | * | * | trans | 72.8 | 91.6 | 152.5 | -57.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1331 | I | 39.1 | Very low | 33.4 | Very low | 133 Ų | 133 | 111.4 Ų | 111.4 | 68% | 0.682 | 60% | 0.601 | S | S | * | * | trans | -95.3 | 156.2 | 148.7 | -59 | 172.6 | 0 | 0 | 0 | 107.9 | ||||
| 1332 | T | 32 | Very low | 32.5 | Very low | 112 Ų | 112 | 112.1 Ų | 112.1 | 69% | 0.687 | 61% | 0.605 | S | S | * | * | trans | 93.1 | 138.5 | 168.8 | 76.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1333 | N | 27.1 | Very low | 31.5 | Very low | 119 Ų | 119 | 106.5 Ų | 106.5 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | trans | 70.8 | 139.5 | 165.1 | -54.2 | -59.9 | 0 | 0 | 0 | 117 | ||||
| 1334 | K | 24.2 | Very low | 30.5 | Very low | 160 Ų | 160 | 107.3 Ų | 107.3 | 70% | 0.696 | 59% | 0.59 | S | S | * | * | cis | -173.5 | 158.6 | -20.4 | -121.7 | 167.3 | -165.3 | 136.2 | 0 | 108.2 | ||||
| 1335 | N | 24.6 | Very low | 30.1 | Very low | 130 Ų | 130 | 104.7 Ų | 104.7 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 13 | 141.6 | 155.7 | -55.4 | 14 | 0 | 0 | 0 | 120.2 | ||
| 1336 | N | 25.8 | Very low | 29.8 | Very low | 140 Ų | 140 | 101.2 Ų | 101.2 | 75% | 0.749 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 57.6 | -177.6 | -178.7 | -10.3 | -83 | 0 | 0 | 0 | 112.2 | ||
| 1337 | A | 28.3 | Very low | 29.6 | Very low | 56 Ų | 56 | 100.1 Ų | 100.1 | 46% | 0.463 | 59% | 0.589 | S | S | . | * | trans | 65.9 | 152.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | E1440 | A1337-E1440 VanDerWaalsContact CA-CD 3.5Å; A1337-E1440 WeakPolarHBondContact CA-OE2 3.48Å; A1337-E1440 PolarHBondContact N-OE2 2.91Å | ||
| 1338 | S | 32.4 | Very low | 29.4 | Very low | 51 Ų | 51 | 103.2 Ų | 103.2 | 36% | 0.357 | 60% | 0.602 | S | S | . | * | cis | -136.1 | 174.5 | -29.9 | -104.9 | 0 | 0 | 0 | 0 | 105.2 | C1126 | C1126-S1338 WeakPolarHBondContact CB-O 3.26Š| ||
| 1339 | N | 32.1 | Very low | 29.2 | Very low | 57 Ų | 57 | 106.5 Ų | 106.5 | 31% | 0.305 | 60% | 0.604 | S | S | . | * | cis | 64.6 | 105.8 | 47.5 | -127.1 | 10 | 0 | 0 | 0 | 115.2 | S1439 | N1339-S1439 VanDerWaalsContact CG-N 3.34Å; N1339-S1439 PolarHBondContact ND2-OG 2.93Å; N1339-S1439 PolarHBondContact OD1-N 3.17Å | ||
| 1340 | N | 30.3 | Very low | 28.8 | Very low | 92 Ų | 92 | 105.5 Ų | 105.5 | 49% | 0.492 | 59% | 0.591 | S | S | . | * | trans | 62.4 | 144.9 | 160.8 | -52.8 | -55.1 | 0 | 0 | 0 | 119.8 | V1124 | V1124-N1340 VanDerWaalsContact CG1-CA 3.44Å; V1124-N1340 VanDerWaalsContact CG1-N 3.25Å | ||
| 1341 | N | 31.2 | Very low | 28.7 | Very low | 94 Ų | 94 | 103.5 Ų | 103.5 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | B | Isolated β-bridge | trans | 77.3 | 159.6 | -171.6 | -54 | -91 | 0 | 0 | 0 | 112.9 | V1124 D1125 | V1124-N1341 WeakPolarHBondContact CA-O 3.25Å; D1125-N1341 PolarHBondContact N-O 3.12Å |
| 1342 | N | 34.5 | Very low | 28.1 | Very low | 84 Ų | 84 | 102 Ų | 102 | 45% | 0.449 | 58% | 0.578 | S | S | . | * | S | Bend | cis | -162.6 | 114.5 | -26.1 | -96.1 | -15.6 | 0 | 0 | 0 | 109.9 | N1123 D1125 | N1123-N1342 PolarHBondContact ND2-OD1 3.43Å; N1123-N1342 VanDerWaalsContact OD1-CA 3.31Å; N1123-N1342 WeakPolarHBondContact OD1-CA 3.18Å; N1123-N1342 PolarHBondContact OD1-OD1 3.19Å; D1125-N1342 VanDerWaalsContact OD1-C 3.27Å; D1125-N1342 PolarHBondContact OD1-N 3.48Å; D1125-N1342 PolarHBondContact OD2-N 3.23Å |
| 1343 | I | 28.2 | Very low | 27.9 | Very low | 84 Ų | 84 | 100.6 Ų | 100.6 | 43% | 0.431 | 57% | 0.573 | S | S | . | * | S | Bend | cis | -159.7 | 125 | 7.2 | -48.7 | 176.7 | 0 | 0 | 0 | 111.3 | N1123 D1125 | N1123-I1343 HydrophobicContact CB-CG2 4.34Å; N1123-I1343 WeakPolarHBondContact OD1-CA 2.25Å; N1123-I1343 VanDerWaalsContact OD1-CB 3.27Å; N1123-I1343 WeakPolarHBondContact OD1-CB 3.49Å; N1123-I1343 VanDerWaalsContact OD1-CG1 3.29Å; N1123-I1343 WeakPolarHBondContact OD1-CG1 3.46Å; N1123-I1343 VanDerWaalsContact OD1-CG2 3.29Å; N1123-I1343 WeakPolarHBondContact OD1-CG2 3.33Å; D1125-I1343 PolarHBondContact OD1-N 3Å |
| 1344 | Y | 22 | Very low | 28 | Very low | 97 Ų | 97 | 98.6 Ų | 98.6 | 38% | 0.38 | 58% | 0.581 | S | S | . | * | trans | -151.5 | 150.9 | 138.3 | -104 | -77.7 | 0 | 0 | 0 | 111.3 | K546 G1346 | K546-Y1344 HydrophobicContact CB-CD2 4.27Å; K546-Y1344 VanDerWaalsContact O-CD2 3.27Å; K546-Y1344 WeakPolarHBondContact O-CD2 3.47Å; Y1344-G1346 PolarHBondContact O-N 3.33Å | ||
| 1345 | T | 27.4 | Very low | 28.2 | Very low | 98 Ų | 98 | 97.5 Ų | 97.5 | 60% | 0.601 | 58% | 0.583 | S | S | * | * | trans | -59.7 | 121.4 | -174.7 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | G1347 | T1345-G1347 PolarHBondContact O-N 3.3Š| ||
| 1346 | G | 31.3 | Very low | 28.3 | Very low | 67 Ų | 67 | 97.8 Ų | 97.8 | 69% | 0.691 | 59% | 0.588 | S | S | * | * | trans | -53.7 | 124.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y1344 | Y1344-G1346 PolarHBondContact O-N 3.33Š| ||
| 1347 | G | 30.4 | Very low | 28.3 | Very low | 57 Ų | 57 | 96.6 Ų | 96.6 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | cis | 88.5 | 126.9 | 26.7 | 0 | 0 | 0 | 0 | 0 | 108 | T1345 K1349 | T1345-G1347 PolarHBondContact O-N 3.3Å; G1347-K1349 CarbonylContact O-C 3.58Å; G1347-K1349 PolarHBondContact O-N 2.68Å | ||
| 1348 | M | 26.8 | Very low | 28.2 | Very low | 201 Ų | 201 | 98.5 Ų | 98.5 | 99% | 0.99 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -81.9 | 46.1 | 176.1 | -75.8 | -178.7 | 152.4 | 0 | 0 | 112.1 | ||
| 1349 | K | 25 | Very low | 28 | Very low | 162 Ų | 162 | 103.1 Ų | 103.1 | 70% | 0.704 | 62% | 0.617 | S | S | * | * | -81.6 | 116.3 | 129.8 | -90 | -168.2 | 177.6 | -176.4 | 0 | 104.7 | G1347 | G1347-K1349 CarbonylContact O-C 3.58Å; G1347-K1349 PolarHBondContact O-N 2.68Å | |||
| 1350 | Q | 23.7 | Very low | 27.7 | Very low | 101 Ų | 101 | 106.9 Ų | 106.9 | 47% | 0.472 | 64% | 0.641 | S | S | . | * | cis | -163.7 | 149 | 39.4 | -127.5 | 171.6 | 107.5 | 0 | 0 | 113.8 | P1437 | Q1350-P1437 PolarHBondContact NE2-O 3Š| ||
| 1351 | S | 25.2 | Very low | 27.7 | Very low | 79 Ų | 79 | 105.5 Ų | 105.5 | 55% | 0.552 | 65% | 0.649 | S | S | * | * | trans | 77.4 | 129.5 | 139 | 97.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1352 | S | 26.5 | Very low | 27.6 | Very low | 100 Ų | 100 | 110.4 Ų | 110.4 | 70% | 0.699 | 67% | 0.666 | S | S | * | * | 84.1 | 175 | 78.6 | 92.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1353 | S | 28.5 | Very low | 27.3 | Very low | 84 Ų | 84 | 114.1 Ų | 114.1 | 59% | 0.587 | 68% | 0.684 | S | S | * | * | cis | -152 | 139.3 | 1.3 | 17 | 0 | 0 | 0 | 0 | 111.9 | N1355 | S1353-N1355 PolarHBondContact O-ND2 3.23Š| ||
| 1354 | G | 28.7 | Very low | 27.2 | Very low | 77 Ų | 77 | 114.5 Ų | 114.5 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | trans | 64.1 | -162.2 | 136.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1355 | N | 28.6 | Very low | 27.4 | Very low | 137 Ų | 137 | 116.7 Ų | 116.7 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | cis | -135.6 | 160.5 | -0.4 | -73.4 | -81.5 | 0 | 0 | 0 | 109.8 | S1353 | S1353-N1355 PolarHBondContact O-ND2 3.23Š| ||
| 1356 | V | 26.8 | Very low | 27.3 | Very low | 135 Ų | 135 | 116.8 Ų | 116.8 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | -159.8 | 106.9 | 123.1 | 134.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1357 | V | 26.4 | Very low | 27.2 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 70% | 0.703 | 70% | 0.702 | S | S | * | * | trans | 51.8 | 113.5 | 135.7 | -177 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1358 | S | 26.6 | Very low | 27.3 | Very low | 96 Ų | 96 | 118.4 Ų | 118.4 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | -165.4 | 135.1 | 71.8 | 18.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1359 | N | 26.8 | Very low | 27.4 | Very low | 147 Ų | 147 | 114.7 Ų | 114.7 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | trans | 67.5 | 140.9 | 141.4 | -58.1 | -22.2 | 0 | 0 | 0 | 119.2 | ||||
| 1360 | V | 27.8 | Very low | 27.6 | Very low | 136 Ų | 136 | 110.8 Ų | 110.8 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | cis | -160.2 | 149.3 | -5.6 | 114.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1361 | G | 29.4 | Very low | 27.7 | Very low | 64 Ų | 64 | 113.4 Ų | 113.4 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | trans | 116.7 | 85.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1362 | K | 28.2 | Very low | 27.7 | Very low | 196 Ų | 196 | 115.1 Ų | 115.1 | 85% | 0.852 | 73% | 0.731 | S | S | * | * | 78.1 | 102.9 | 77.6 | -74.5 | -178 | 174.8 | -179.5 | 0 | 115.1 | |||||
| 1363 | I | 28.5 | Very low | 27.6 | Very low | 162 Ų | 162 | 114.4 Ų | 114.4 | 83% | 0.831 | 73% | 0.731 | S | S | * | * | 172.3 | 139.4 | 119.2 | -87.2 | 156.7 | 0 | 0 | 0 | 111 | |||||
| 1364 | S | 26.3 | Very low | 27.4 | Very low | 93 Ų | 93 | 119 Ų | 119 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | -26.8 | 155.6 | 173.7 | 48.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1365 | N | 25.8 | Very low | 27.1 | Very low | 143 Ų | 143 | 121.2 Ų | 121.2 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | cis | -165 | 162.7 | 22.2 | -119.5 | -4.8 | 0 | 0 | 0 | 115.2 | ||||
| 1366 | T | 27.1 | Very low | 27.1 | Very low | 99 Ų | 99 | 117.3 Ų | 117.3 | 61% | 0.607 | 71% | 0.713 | S | S | * | * | trans | 72.6 | 117.3 | 150.7 | 43.7 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1367 | S | 28.2 | Very low | 26.9 | Very low | 64 Ų | 64 | 114.4 Ų | 114.4 | 45% | 0.448 | 69% | 0.688 | S | S | . | * | trans | 100.6 | 149.6 | 136.7 | -53.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1368 | P | 31.8 | Very low | 26.8 | Very low | 95 Ų | 95 | 110.9 Ų | 110.9 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | trans | -144.2 | 166.8 | -133.1 | 44.9 | -26.6 | 0 | 0 | 0 | 123.3 | Q1433 | P1368-Q1433 VanDerWaalsContact CD-OE1 3.23Š| ||
| 1369 | S | 29.3 | Very low | 26.8 | Very low | 123 Ų | 123 | 107.6 Ų | 107.6 | 86% | 0.86 | 64% | 0.64 | S | S | * | * | trans | 68.2 | 136.5 | 139.7 | 61.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1370 | G | 30.1 | Very low | 26.9 | Very low | 79 Ų | 79 | 102.7 Ų | 102.7 | 81% | 0.814 | 62% | 0.617 | S | S | * | * | trans | 163.8 | 131.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1371 | D | 25.7 | Very low | 26.8 | Very low | 157 Ų | 157 | 103 Ų | 103 | 84% | 0.84 | 61% | 0.608 | S | S | * | * | trans | -79.6 | 158 | -165.1 | -56.6 | -64.8 | 0 | 0 | 0 | 121.7 | ||||
| 1372 | S | 24.4 | Very low | 26.7 | Very low | 114 Ų | 114 | 103.1 Ų | 103.1 | 80% | 0.797 | 61% | 0.608 | S | S | * | * | trans | 78.8 | 120.9 | 135.2 | 69.6 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1373 | A | 24.1 | Very low | 26.7 | Very low | 85 Ų | 85 | 98.7 Ų | 98.7 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | 67.6 | 159.9 | 127.4 | 0 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1374 | F | 25.5 | Very low | 26.6 | Very low | 180 Ų | 180 | 93.3 Ų | 93.3 | 79% | 0.789 | 58% | 0.579 | S | S | * | * | trans | 66.3 | 123 | 172.9 | -70.7 | -95.8 | 0 | 0 | 0 | 118.8 | ||||
| 1375 | Q | 22.3 | Very low | 26.5 | Very low | 125 Ų | 125 | 91.7 Ų | 91.7 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | 82.5 | 161.1 | 72 | -105.3 | -160 | 11.4 | 0 | 0 | 115.3 | R1519 | Q1375-R1519 PolarHBondContact O-NH2 3.38Š| |||
| 1376 | P | 27.7 | Very low | 26.5 | Very low | 55 Ų | 55 | 91.3 Ų | 91.3 | 36% | 0.357 | 57% | 0.569 | S | S | . | * | -126.5 | -139.1 | -119.7 | 43.1 | -24.8 | 0 | 0 | 0 | 114.4 | |||||
| 1377 | R | 24 | Very low | 26.4 | Very low | 74 Ų | 74 | 93 Ų | 93 | 28% | 0.279 | 57% | 0.568 | S | S | . | * | trans | 83 | 130.2 | -177.4 | -51.3 | 168.4 | -177.6 | -123.4 | -6 | 112.2 | V298 N299 V1515 L1518 | V298-R1377 HydrophobicContact CG1-CB 4.37Å; V298-R1377 HydrophobicContact CG1-CG 3.87Å; V298-R1377 VanDerWaalsContact CG1-NH1 3.28Å; N299-R1377 PolarHBondContact OD1-NH1 3.05Å; N299-R1377 PolarHBondContact OD1-NH2 3.46Å; R1377-V1515 WeakPolarHBondContact O-CG1 3.15Å; R1377-V1515 WeakPolarHBondContact O-CG2 3.42Å; R1377-L1518 HydrophobicContact CB-CB 4.41Å; R1377-L1518 HydrophobicContact CB-CD1 4.01Å; R1377-L1518 HydrophobicContact CG-CD1 4.48Å | ||
| 1378 | K | 24.4 | Very low | 26.1 | Very low | 41 Ų | 41 | 92.4 Ų | 92.4 | 18% | 0.178 | 56% | 0.564 | C | S | . | * | cis | 83.6 | 130.5 | 27.5 | -67.1 | -157.3 | 175.6 | -143.4 | 0 | 117.2 | Y301 | Y301-K1378 VanDerWaalsContact CD1-NZ 3.33Å; Y301-K1378 HydrophobicContact CD2-CD 3.36Å; Y301-K1378 HydrophobicContact CE2-CD 4.04Å; Y301-K1378 HydrophobicContact CG-CD 3.68Å; Y301-K1378 VanDerWaalsContact CG-NZ 3.31Å | ||
| 1379 | S | 26.1 | Very low | 25.8 | Very low | 28 Ų | 28 | 94 Ų | 94 | 20% | 0.196 | 57% | 0.572 | C | S | . | * | 154.2 | 148.3 | 107.9 | 64.5 | 0 | 0 | 0 | 0 | 116.1 | K1511 | S1379-K1511 VanDerWaalsContact C-CD 3.48Å; S1379-K1511 WeakPolarHBondContact O-CA 3.35Å; S1379-K1511 VanDerWaalsContact O-CD 3.27Å; S1379-K1511 WeakPolarHBondContact O-CD 3.36Å; S1379-K1511 WeakPolarHBondContact O-CG 3.13Å | |||
| 1380 | S | 27.7 | Very low | 25.6 | Very low | 44 Ų | 44 | 92.8 Ų | 92.8 | 31% | 0.308 | 56% | 0.563 | S | S | . | * | trans | 72.5 | 133.7 | 159.1 | 80.9 | 0 | 0 | 0 | 0 | 120.9 | K1511 | S1380-K1511 WeakPolarHBondContact O-CD 3.38Å; S1380-K1511 WeakPolarHBondContact O-CE 3.3Å; S1380-K1511 WeakPolarHBondContact O-CG 3.19Å | ||
| 1381 | F | 26.9 | Very low | 25.5 | Very low | 143 Ų | 143 | 94.1 Ų | 94.1 | 63% | 0.627 | 56% | 0.56 | S | S | * | * | cis | -142.4 | 173.4 | 11.4 | -64.7 | -90.1 | 0 | 0 | 0 | 108.5 | ||||
| 1382 | G | 27.6 | Very low | 25.7 | Very low | 65 Ų | 65 | 92.1 Ų | 92.1 | 67% | 0.67 | 56% | 0.555 | S | S | * | * | cis | 106.9 | 129.5 | -2.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1383 | S | 28.3 | Very low | 26 | Very low | 104 Ų | 104 | 94.6 Ų | 94.6 | 73% | 0.727 | 55% | 0.554 | S | S | * | * | trans | 164 | 119.5 | 139.6 | -75.3 | 0 | 0 | 0 | 0 | 111.7 | Q128 | Q128-S1383 PolarHBondContact NE2-O 2.78Š| ||
| 1384 | S | 24.9 | Very low | 26.4 | Very low | 49 Ų | 49 | 95.4 Ų | 95.4 | 34% | 0.343 | 55% | 0.552 | S | S | . | * | trans | -111.7 | 150.7 | 137.3 | -74.5 | 0 | 0 | 0 | 0 | 107.9 | A99 Q128 | A99-S1384 PolarHBondContact O-OG 2.69Å; Q128-S1384 PolarHBondContact NE2-OG 3.48Å; Q128-S1384 VanDerWaalsContact NE2-OG 3.09Å | ||
| 1385 | A | 26 | Very low | 26.5 | Very low | 59 Ų | 59 | 91 Ų | 91 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | trans | -58.8 | 151.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1386 | L | 25.3 | Very low | 26.9 | Very low | 135 Ų | 135 | 91.8 Ų | 91.8 | 71% | 0.707 | 55% | 0.552 | S | S | * | * | 59 | 138.3 | 56.4 | -48.3 | 171 | 0 | 0 | 0 | 111 | |||||
| 1387 | F | 24.2 | Very low | 27.1 | Very low | 134 Ų | 134 | 94.1 Ų | 94.1 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | cis | -138.5 | -112 | 37.5 | -107.7 | -74 | 0 | 0 | 0 | 117.4 | D409 | D409-F1387 WeakPolarHBondContact OD1-CB 3.16Å; D409-F1387 VanDerWaalsContact OD2-CA 3.31Å; D409-F1387 WeakPolarHBondContact OD2-CA 3.47Å; D409-F1387 WeakPolarHBondContact OD2-CB 3.28Å; D409-F1387 PolarHBondContact OD2-N 3.3Å | ||
| 1388 | S | 23.1 | Very low | 27.4 | Very low | 52 Ų | 52 | 101.8 Ų | 101.8 | 36% | 0.364 | 60% | 0.598 | S | S | . | * | trans | -68.3 | 150.2 | -149 | -46.1 | 0 | 0 | 0 | 0 | 113.7 | T407 D409 | T407-S1388 PolarHBondContact OG1-O 2.85Å; D409-S1388 WeakPolarHBondContact OD1-CB 3.44Å; D409-S1388 PolarHBondContact OD1-N 3.26Å; D409-S1388 PolarHBondContact OD1-OG 2.85Å; D409-S1388 PolarHBondContact OD2-N 2.82Å | ||
| 1389 | T | 25.4 | Very low | 27.8 | Very low | 128 Ų | 128 | 111.5 Ų | 111.5 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | cis | 81.4 | 112.4 | 28.7 | 77.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1390 | S | 25.1 | Very low | 27.8 | Very low | 98 Ų | 98 | 116.2 Ų | 116.2 | 69% | 0.685 | 66% | 0.661 | S | S | * | * | trans | -144.7 | 117.9 | 145.2 | 66.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1391 | S | 27.1 | Very low | 27.8 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | trans | 1.4 | 152.3 | 143.9 | -71.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1392 | P | 30.4 | Very low | 27.6 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | cis | -148.7 | 162.6 | 41.4 | 40.7 | -20.1 | 0 | 0 | 0 | 120.2 | ||||
| 1393 | H | 29.8 | Very low | 27.4 | Very low | 167 Ų | 167 | 125.9 Ų | 125.9 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | 8.5 | 159.1 | 134.9 | -67.7 | -51.5 | 0 | 0 | 0 | 122.1 | ||||
| 1394 | P | 32.6 | Very low | 27.2 | Very low | 101 Ų | 101 | 128 Ų | 128 | 66% | 0.656 | 70% | 0.695 | S | S | * | * | cis | -148.4 | -175.9 | -28 | 40.3 | -21.6 | 0 | 0 | 0 | 116 | ||||
| 1395 | S | 27.8 | Very low | 27.1 | Very low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | trans | 83.3 | 166.2 | 135.3 | 77.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 1396 | N | 31.5 | Very low | 27.1 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | 78.3 | 87 | 153.5 | -64.8 | -27.9 | 0 | 0 | 0 | 120.9 | ||||
| 1397 | S | 30.5 | Very low | 27.1 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | 138.5 | 118.7 | 111.9 | -66 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1398 | R | 31.9 | Very low | 27.3 | Very low | 235 Ų | 235 | 131 Ų | 131 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | 62.3 | 95.1 | 67.4 | -69.5 | -172.3 | 173.6 | -162.4 | 0.8 | 114.7 | |||||
| 1399 | R | 31.7 | Very low | 27.5 | Very low | 246 Ų | 246 | 132.8 Ų | 132.8 | 93% | 0.928 | 74% | 0.738 | S | S | * | * | trans | 164.7 | 148.9 | 138.3 | -93.4 | 164.7 | -176.1 | 177.4 | 4.3 | 110 | ||||
| 1400 | V | 27.1 | Very low | 27.8 | Very low | 126 Ų | 126 | 134 Ų | 134 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | cis | -166.2 | 174.5 | -21.7 | 94.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1401 | V | 26.4 | Very low | 28 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | trans | 80.3 | 108 | -179 | -160.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1402 | R | 23.3 | Very low | 28 | Very low | 232 Ų | 232 | 136.5 Ų | 136.5 | 88% | 0.875 | 73% | 0.732 | S | S | * | * | 65.3 | 139.3 | 68.5 | -63 | 175.2 | 177.1 | 148.5 | -4.3 | 112.3 | |||||
| 1403 | T | 23.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | cis | -139.6 | 151.4 | 7.8 | 37.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1404 | D | 23.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | trans | 53.3 | 141.4 | 139.8 | -51.9 | -15.7 | 0 | 0 | 0 | 120.9 | ||||
| 1405 | S | 24.1 | Very low | 27 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 63% | 0.629 | 67% | 0.668 | S | S | * | * | cis | -173.4 | 149.9 | -10.2 | 52.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1406 | L | 25.4 | Very low | 26.8 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 88% | 0.88 | 64% | 0.644 | S | S | * | * | trans | 65.7 | 149.8 | 165.8 | -59.9 | 158.8 | 0 | 0 | 0 | 114.8 | ||||
| 1407 | S | 26 | Very low | 26.6 | Very low | 91 Ų | 91 | 115 Ų | 115 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | cis | -159.3 | -168.2 | -15.6 | 48 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1408 | S | 27.6 | Very low | 26.5 | Very low | 92 Ų | 92 | 111.3 Ų | 111.3 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | trans | 37.1 | 91.7 | 143.1 | 59.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1409 | S | 27.7 | Very low | 26.3 | Very low | 88 Ų | 88 | 102.8 Ų | 102.8 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | 75.5 | 130.1 | 88.8 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1410 | H | 30.1 | Very low | 26.3 | Very low | 155 Ų | 155 | 96.3 Ų | 96.3 | 72% | 0.718 | 54% | 0.536 | S | S | * | . | trans | 61.5 | -179.1 | 158.8 | -59.2 | -57.7 | 0 | 0 | 0 | 114.9 | ||||
| 1411 | P | 30.1 | Very low | 26.2 | Very low | 103 Ų | 103 | 100.9 Ų | 100.9 | 67% | 0.669 | 54% | 0.54 | S | S | * | . | cis | -84.5 | -157.1 | -27.7 | -6.9 | 28.8 | 0 | 0 | 0 | 108.9 | ||||
| 1412 | H | 27 | Very low | 26.1 | Very low | 152 Ų | 152 | 102.4 Ų | 102.4 | 70% | 0.704 | 54% | 0.544 | S | S | * | . | cis | 48 | 164.4 | 40.4 | -29 | -152 | 0 | 0 | 0 | 110.5 | ||||
| 1413 | S | 23.3 | Very low | 26.2 | Very low | 52 Ų | 52 | 98.3 Ų | 98.3 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | cis | -127.3 | 129.1 | -9.6 | -47.4 | 0 | 0 | 0 | 0 | 103.3 | L612 T613 | L612-S1413 CarbonylContact O-C 3.48Å; T613-S1413 VanDerWaalsContact CA-CB 3.47Å; T613-S1413 VanDerWaalsContact CB-CB 3.42Å; T613-S1413 WeakPolarHBondContact O-CB 3.29Å | ||
| 1414 | V | 24.2 | Very low | 26.1 | Very low | 76 Ų | 76 | 101.9 Ų | 101.9 | 46% | 0.461 | 55% | 0.548 | S | S | . | . | 76.6 | -126.5 | 86.8 | -176.3 | 0 | 0 | 0 | 0 | 109 | L612 T613 D616 A617 | L612-V1414 CarbonylContact C-O 3.58Å; L612-V1414 CarbonylContact O-C 3.44Å; T613-V1414 VanDerWaalsContact O-CB 3.27Å; T613-V1414 WeakPolarHBondContact O-CB 3.12Å; T613-V1414 WeakPolarHBondContact O-CG1 3.32Å; D616-V1414 HydrophobicContact CB-CG1 4.31Å; D616-V1414 VanDerWaalsContact OD2-O 3.11Å; A617-V1414 HydrophobicContact CB-CG1 4.4Å | |||
| 1415 | S | 24.4 | Very low | 26.2 | Very low | 1 Ų | 1 | 101.8 Ų | 101.8 | 1% | 0.007 | 55% | 0.546 | C | S | . | . | trans | -163.8 | -148.4 | -153.3 | 21.1 | 0 | 0 | 0 | 0 | 119.9 | A611 L612 T613 L614 S615 D616 | A611-S1415 VanDerWaalsContact C-C 3.49Å; A611-S1415 CarbonylContact C-O 3.59Å; A611-S1415 CarbonylContact O-C 3.54Å; A611-S1415 VanDerWaalsContact O-C 3.29Å; L612-S1415 CarbonylContact C-O 3.57Å; L612-S1415 WeakPolarHBondContact CA-O 3.44Å; L612-S1415 PolarHBondContact N-O 3.35Å; L612-S1415 PolarHBondContact O-N 2.73Å; T613-S1415 CarbonylContact C-O 3.5Å; T613-S1415 WeakPolarHBondContact CA-O 3.35Å; T613-S1415 VanDerWaalsContact N-C 3.28Å; T613-S1415 PolarHBondContact N-O 3.06Å; L614-S1415 VanDerWaalsContact C-OG 3.26Å; L614-S1415 PolarHBondContact N-O 2.89Å; S615-S1415 PolarHBondContact N-OG 3.49Å; D616-S1415 VanDerWaalsContact CA-OG 3.27Å; D616-S1415 WeakPolarHBondContact CA-OG 3.47Å; D616-S1415 WeakPolarHBondContact CB-OG 3.41Å; D616-S1415 PolarHBondContact N-OG 2.82Å; D616-S1415 VanDerWaalsContact OD1-CB 3.23Å; D616-S1415 WeakPolarHBondContact OD1-CB 3.44Å; D616-S1415 PolarHBondContact OD1-OG 3.12Å; D616-S1415 WeakPolarHBondContact OD2-CB 3.25Å; D616-S1415 PolarHBondContact OD2-OG 3.43Å | ||
| 1416 | N | 24.7 | Very low | 26.2 | Very low | 21 Ų | 21 | 103.8 Ų | 103.8 | 11% | 0.112 | 55% | 0.545 | C | S | . | . | B | Isolated β-bridge | trans | 96 | 32.8 | 163.2 | -120.1 | 19.1 | 0 | 0 | 0 | 125.7 | A611 L614 S615 A892 R895 | A611-N1416 CarbonylContact O-C 3.44Å; A611-N1416 VanDerWaalsContact O-C 3.26Å; A611-N1416 PolarHBondContact O-N 2.67Å; L614-N1416 HydrophobicContact CB-CB 3.68Å; S615-N1416 WeakPolarHBondContact CA-OD1 3.28Å; S615-N1416 VanDerWaalsContact CB-N 3.29Å; S615-N1416 WeakPolarHBondContact CB-OD1 3.21Å; S615-N1416 PolarHBondContact N-OD1 3.3Å; A892-N1416 WeakPolarHBondContact CB-OD1 3.33Å; R895-N1416 PolarHBondContact NH1-O 2.97Å |
| 1417 | T | 27.3 | Very low | 26.2 | Very low | 11 Ų | 11 | 101.6 Ų | 101.6 | 7% | 0.067 | 53% | 0.534 | C | S | . | . | 55.6 | -138.2 | 109.3 | 74.8 | 0 | 0 | 0 | 0 | 118.9 | A611 A892 T893 R895 A896 | A611-T1417 VanDerWaalsContact CB-N 3.27Å; A611-T1417 PolarHBondContact O-N 3.24Å; A892-T1417 WeakPolarHBondContact CA-OG1 3.33Å; A892-T1417 WeakPolarHBondContact CB-OG1 3.07Å; T893-T1417 VanDerWaalsContact CA-CG2 3.4Å; T893-T1417 PolarHBondContact N-OG1 3.21Å; R895-T1417 CarbonylContact C-O 3.48Å; R895-T1417 WeakPolarHBondContact CA-O 3.24Å; R895-T1417 WeakPolarHBondContact CB-O 3.32Å; R895-T1417 WeakPolarHBondContact CG-O 3.29Å; R895-T1417 PolarHBondContact N-O 3.2Å; R895-T1417 PolarHBondContact NH1-O 3.34Å; A896-T1417 HydrophobicContact CB-CG2 4.11Å; A896-T1417 PolarHBondContact N-O 2.84Å | |||
| 1418 | S | 28.2 | Very low | 26.1 | Very low | 27 Ų | 27 | 99.8 Ų | 99.8 | 19% | 0.189 | 52% | 0.522 | C | S | . | . | trans | 85.2 | 78.9 | 174.1 | -56.5 | 0 | 0 | 0 | 0 | 125.7 | A891 A892 Q894 R895 | A891-S1418 WeakPolarHBondContact O-CA 3.02Å; A891-S1418 WeakPolarHBondContact O-CB 3.37Å; A891-S1418 PolarHBondContact O-OG 3.43Å; A892-S1418 VanDerWaalsContact C-N 3.35Å; A892-S1418 WeakPolarHBondContact O-CA 3.23Å; A892-S1418 PolarHBondContact O-N 2.72Å; Q894-S1418 VanDerWaalsContact C-C 3.42Å; R895-S1418 WeakPolarHBondContact CG-O 3.17Å; R895-S1418 VanDerWaalsContact N-CA 3.28Å; R895-S1418 PolarHBondContact N-O 2.89Å | ||
| 1419 | N | 27.6 | Very low | 26 | Very low | 56 Ų | 56 | 100 Ų | 100 | 30% | 0.299 | 52% | 0.519 | S | S | . | . | trans | 77.2 | 145.2 | 156.7 | -49.5 | -68.3 | 0 | 0 | 0 | 119.8 | A891 Q894 R895 C898 | A891-N1419 PolarHBondContact O-ND2 3.28Å; Q894-N1419 CarbonylContact C-O 3.31Å; Q894-N1419 CarbonylContact O-C 3.55Å; R895-N1419 VanDerWaalsContact N-N 3.19Å; C898-N1419 PolarHBondContact SG-O 2.98Å | ||
| 1420 | K | 31.7 | Very low | 26.1 | Very low | 109 Ų | 109 | 99.7 Ų | 99.7 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | cis | -175.1 | 170.1 | -13.2 | -169 | 154.9 | -74.9 | 165.8 | 0 | 112 | Q894 | Q894-K1420 VanDerWaalsContact OE1-CG 3.23Š| ||
| 1421 | R | 24.4 | Very low | 26.2 | Very low | 223 Ų | 223 | 97.5 Ų | 97.5 | 84% | 0.842 | 50% | 0.5 | S | S | * | . | trans | 108.6 | 145 | 149.6 | -63.7 | -175.3 | 166.7 | -156.4 | -5.6 | 122.7 | ||||
| 1422 | L | 23.8 | Very low | 26.3 | Very low | 147 Ų | 147 | 99.4 Ų | 99.4 | 77% | 0.77 | 50% | 0.5 | S | S | * | . | trans | 72.3 | 97.1 | 151.6 | -97.3 | 76.3 | 0 | 0 | 0 | 122 | ||||
| 1423 | N | 24.9 | Very low | 26.3 | Very low | 145 Ų | 145 | 97 Ų | 97 | 78% | 0.775 | 49% | 0.489 | S | S | * | . | 21.7 | 149 | 118 | -62.6 | 0.5 | 0 | 0 | 0 | 121.9 | |||||
| 1424 | Q | 22.8 | Very low | 26.4 | Very low | 185 Ų | 185 | 98.3 Ų | 98.3 | 86% | 0.864 | 49% | 0.491 | S | S | * | . | trans | 81.8 | 103.9 | 166.5 | -57.1 | 178.8 | -3.1 | 0 | 0 | 116.8 | ||||
| 1425 | I | 25 | Very low | 27 | Very low | 145 Ų | 145 | 101.7 Ų | 101.7 | 74% | 0.744 | 51% | 0.507 | S | S | * | . | -176.4 | 146.5 | 111.4 | -93.4 | 158.9 | 0 | 0 | 0 | 109.4 | |||||
| 1426 | E | 24 | Very low | 27 | Very low | 133 Ų | 133 | 107.2 Ų | 107.2 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | trans | 17.8 | 122.5 | 173.5 | -76.5 | 99.8 | -107.2 | 0 | 0 | 120.1 | ||||
| 1427 | N | 26 | Very low | 27 | Very low | 121 Ų | 121 | 108.7 Ų | 108.7 | 65% | 0.647 | 56% | 0.556 | S | S | * | * | cis | 49.1 | 71.3 | 36.2 | -93 | 43.7 | 0 | 0 | 0 | 112.8 | K556 | K556-N1427 WeakPolarHBondContact CE-OD1 3.29Å; K556-N1427 PolarHBondContact NZ-OD1 2.89Å | ||
| 1428 | S | 23.8 | Very low | 27 | Very low | 53 Ų | 53 | 112.2 Ų | 112.2 | 37% | 0.371 | 58% | 0.581 | S | S | . | * | trans | -149.7 | 89 | 167.3 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | N559 | N559-S1428 WeakPolarHBondContact CB-O 3.26Š| ||
| 1429 | T | 26 | Very low | 26.8 | Very low | 97 Ų | 97 | 113.8 Ų | 113.8 | 60% | 0.595 | 59% | 0.592 | S | S | * | * | 44.6 | 101.4 | 129.7 | 55.5 | 0 | 0 | 0 | 0 | 117 | N559 | N559-T1429 WeakPolarHBondContact CB-O 3.5Å; N559-T1429 PolarHBondContact ND2-O 3.4Å | |||
| 1430 | I | 29.2 | Very low | 26.6 | Very low | 82 Ų | 82 | 115.5 Ų | 115.5 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | -171.9 | 94.9 | 78.7 | -99.3 | 140.9 | 0 | 0 | 0 | 109.5 | D558 N559 Q1432 | D558-I1430 PolarHBondContact O-N 3.02Å; N559-I1430 WeakPolarHBondContact ND2-CB 3.36Å; N559-I1430 PolarHBondContact ND2-N 3.24Å; I1430-Q1432 WeakPolarHBondContact CG2-O 3.04Å | |||
| 1431 | E | 32.7 | Very low | 26.4 | Very low | 108 Ų | 108 | 113.5 Ų | 113.5 | 51% | 0.505 | 60% | 0.598 | S | S | . | * | -53 | 153.9 | 129.4 | -73.4 | 162.9 | -173.1 | 0 | 0 | 108.8 | C557 | C557-E1431 WeakPolarHBondContact CA-OE1 3.36Å; C557-E1431 HydrophobicContact CB-CG 3.92Å; C557-E1431 VanDerWaalsContact CB-OE1 3.29Å; C557-E1431 WeakPolarHBondContact CB-OE1 3.4Å; C557-E1431 PolarHBondContact N-OE1 3.44Å | |||
| 1432 | Q | 32 | Very low | 26.7 | Very low | 143 Ų | 143 | 104.5 Ų | 104.5 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | trans | 79.1 | 151.6 | -159.8 | -45.9 | 147.6 | 41.3 | 0 | 0 | 109 | I1430 | I1430-Q1432 WeakPolarHBondContact CG2-O 3.04Š| ||
| 1433 | Q | 26.2 | Very low | 27 | Very low | 101 Ų | 101 | 103.9 Ų | 103.9 | 47% | 0.472 | 56% | 0.564 | S | S | . | * | cis | -123.6 | 116.4 | 26.5 | -71 | -174.5 | -25.1 | 0 | 0 | 111.7 | P1368 | P1368-Q1433 VanDerWaalsContact CD-OE1 3.23Š| ||
| 1434 | I | 25.5 | Very low | 27 | Very low | 80 Ų | 80 | 100.4 Ų | 100.4 | 41% | 0.41 | 56% | 0.563 | S | S | . | * | 80.1 | 104.2 | 98.6 | -68.5 | 163.2 | 0 | 0 | 0 | 110.9 | |||||
| 1435 | N | 36.2 | Very low | 27.3 | Very low | 147 Ų | 147 | 98.6 Ų | 98.6 | 79% | 0.786 | 56% | 0.564 | S | S | * | * | -171.8 | 114.8 | 116.5 | -93.7 | -53.5 | 0 | 0 | 0 | 109.1 | |||||
| 1436 | S | 25 | Very low | 27.6 | Very low | 117 Ų | 117 | 96.5 Ų | 96.5 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | trans | -112.4 | 120.7 | -176.1 | -47.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1437 | P | 24.7 | Very low | 28.4 | Very low | 53 Ų | 53 | 94.5 Ų | 94.5 | 34% | 0.344 | 55% | 0.552 | S | S | . | * | trans | -104 | 121.6 | 159.9 | 2.1 | 19.3 | 0 | 0 | 0 | 109.2 | Q1350 | Q1350-P1437 PolarHBondContact NE2-O 3Š| ||
| 1438 | S | 27.3 | Very low | 30 | Very low | 85 Ų | 85 | 91 Ų | 91 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | cis | 74.4 | 101.3 | 44.1 | 88.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1439 | S | 23.5 | Very low | 32.3 | Very low | 60 Ų | 60 | 90.4 Ų | 90.4 | 42% | 0.42 | 53% | 0.531 | S | S | . | . | trans | 73.2 | 113.1 | 158.8 | -71.9 | 0 | 0 | 0 | 0 | 120.5 | N1339 | N1339-S1439 VanDerWaalsContact CG-N 3.34Å; N1339-S1439 PolarHBondContact ND2-OG 2.93Å; N1339-S1439 PolarHBondContact OD1-N 3.17Å | ||
| 1440 | E | 23.5 | Very low | 34.6 | Very low | 92 Ų | 92 | 88.9 Ų | 88.9 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | trans | 92 | 104.7 | 131.1 | -66.6 | 160.2 | -119.8 | 0 | 0 | 119.9 | A1337 | A1337-E1440 VanDerWaalsContact CA-CD 3.5Å; A1337-E1440 WeakPolarHBondContact CA-OE2 3.48Å; A1337-E1440 PolarHBondContact N-OE2 2.91Å | ||
| 1441 | S | 27.6 | Very low | 37 | Very low | 66 Ų | 66 | 91.1 Ų | 91.1 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | trans | 67.7 | 91.3 | 147.6 | 21.3 | 0 | 0 | 0 | 0 | 124 | D1127 | D1127-S1441 VanDerWaalsContact O-CB 3.3Å; D1127-S1441 WeakPolarHBondContact O-CB 3.06Å | ||
| 1442 | A | 30.4 | Very low | 39.1 | Very low | 35 Ų | 35 | 87.3 Ų | 87.3 | 29% | 0.289 | 51% | 0.51 | S | S | . | . | 86 | 144.5 | 111.5 | 0 | 0 | 0 | 0 | 0 | 128.5 | C1126 D1127 | C1126-A1442 WeakPolarHBondContact O-CA 3.46Å; C1126-A1442 WeakPolarHBondContact O-CB 3.29Å; C1126-A1442 PolarHBondContact O-N 3.41Å; C1126-A1442 VanDerWaalsContact O-N 3.15Å; D1127-A1442 VanDerWaalsContact O-CB 3.23Å; D1127-A1442 WeakPolarHBondContact O-CB 3.25Å | |||
| 1443 | H | 30.5 | Very low | 41.1 | Very low | 133 Ų | 133 | 85.5 Ų | 85.5 | 62% | 0.616 | 50% | 0.5 | S | S | * | . | trans | 50.3 | 134.1 | 158.6 | -53.3 | -51.2 | 0 | 0 | 0 | 121.2 | L1128 | L1128-H1443 PolarHBondContact N-CD2 3.35Å; L1128-H1443 PolarHBondContact N-NE2 3Å | ||
| 1444 | G | 26.2 | Very low | 43.2 | Very low | 72 Ų | 72 | 82.4 Ų | 82.4 | 74% | 0.742 | 49% | 0.494 | S | S | * | . | cis | 167.4 | 104.8 | -9.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1445 | V | 27.5 | Very low | 45.8 | Very low | 147 Ų | 147 | 78.6 Ų | 78.6 | 89% | 0.891 | 48% | 0.475 | S | S | * | . | trans | -142 | 138.4 | 166.9 | -180 | 0 | 0 | 0 | 0 | 108.1 | S1447 | V1445-S1447 PolarHBondContact O-N 2.92Š| ||
| 1446 | E | 32.5 | Very low | 48 | Very low | 101 Ų | 101 | 72.2 Ų | 72.2 | 47% | 0.472 | 44% | 0.441 | S | S | . | . | trans | -68.1 | 119.6 | 176.8 | -70.8 | -156.4 | 105.8 | 0 | 0 | 111.2 | S1448 R1459 | E1446-S1448 PolarHBondContact O-N 3.3Å; E1446-R1459 IonicContact OE2-CZ 3.77Å; E1446-R1459 IonicContact OE2-NH1 3.46Å; E1446-R1459 PolarHBondContact OE2-NH1 3.13Å | ||
| 1447 | S | 40.3 | Very low | 50.9 | Low | 92 Ų | 92 | 66.6 Ų | 66.6 | 64% | 0.643 | 40% | 0.402 | S | S | * | . | trans | -58.6 | 122.7 | 169.2 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | V1445 | V1445-S1447 PolarHBondContact O-N 2.92Š| ||
| 1448 | S | 59.1 | Low | 53.7 | Low | 46 Ų | 46 | 66 Ų | 66 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | trans | -76.3 | -20.5 | -177.9 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | E1446 R1459 | E1446-S1448 PolarHBondContact O-N 3.3Å; S1448-R1459 VanDerWaalsContact O-CB 3.22Å; S1448-R1459 WeakPolarHBondContact O-CB 3.3Å; S1448-R1459 PolarHBondContact O-N 3.3Å | ||
| 1449 | T | 71.9 | Confident | 56.4 | Low | 42 Ų | 42 | 66.5 Ų | 66.5 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133.7 | -162.2 | -55.7 | 0 | 0 | 0 | 0 | 114.4 | Y1451 V1456 L1457 | T1449-Y1451 HydrophobicContact CG2-CE2 4.23Å; T1449-V1456 HydrophobicContact CG2-CG1 3.61Å; T1449-L1457 CarbonylContact C-O 3.59Å; T1449-L1457 WeakPolarHBondContact CA-O 3.22Å |
| 1450 | I | 75.2 | Confident | 58.9 | Low | 64 Ų | 64 | 66 Ų | 66 | 33% | 0.328 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 156.9 | 175.4 | -66.7 | -174.2 | 0 | 0 | 0 | 109.5 | L1457 Y1485 L1499 | I1450-L1457 HydrophobicContact CB-CB 4.3Å; I1450-L1457 PolarHBondContact N-O 2.97Å; I1450-L1457 WeakPolarHBondContact O-CB 3.48Å; I1450-L1457 PolarHBondContact O-N 3.22Å; I1450-Y1485 HydrophobicContact CB-CE1 4.45Å; I1450-Y1485 HydrophobicContact CD1-CD1 4.48Å; I1450-Y1485 HydrophobicContact CD1-CE1 3.57Å; I1450-Y1485 HydrophobicContact CD1-CE2 4.37Å; I1450-Y1485 WeakPolarHBondContact CD1-OH 3.2Å; I1450-Y1485 HydrophobicContact CG1-CE1 3.9Å; I1450-L1499 HydrophobicContact CG2-CD1 4.48Å |
| 1451 | Y | 80 | Confident | 61.4 | Low | 130 Ų | 130 | 65.7 Ų | 65.7 | 51% | 0.51 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128 | 174.3 | -65.3 | -100.4 | 0 | 0 | 0 | 110.6 | I264 T1449 H1455 V1456 | I264-Y1451 HydrophobicContact CD1-CE1 4.23Å; I264-Y1451 WeakPolarHBondContact CG2-OH 3.22Å; T1449-Y1451 HydrophobicContact CG2-CE2 4.23Å; Y1451-H1455 WeakPolarHBondContact CA-O 3.24Å; Y1451-V1456 HydrophobicContact CD1-CB 4.47Å; Y1451-V1456 HydrophobicContact CD1-CG1 4.45Å; Y1451-V1456 HydrophobicContact CD1-CG2 3.88Å; Y1451-V1456 HydrophobicContact CE1-CB 4.23Å; Y1451-V1456 HydrophobicContact CE1-CG1 3.84Å; Y1451-V1456 HydrophobicContact CE1-CG2 3.64Å |
| 1452 | A | 76.4 | Confident | 63.5 | Low | 28 Ų | 28 | 62.6 Ų | 62.6 | 23% | 0.231 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 129.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1454 H1455 L1457 L1499 L1506 | A1452-G1454 PolarHBondContact O-N 2.85Å; A1452-G1454 VanDerWaalsContact O-N 3.08Å; A1452-H1455 PolarHBondContact N-O 2.83Å; A1452-H1455 VanDerWaalsContact N-O 3.08Å; A1452-H1455 VanDerWaalsContact O-CB 3.25Å; A1452-H1455 WeakPolarHBondContact O-CB 3.46Å; A1452-H1455 PolarHBondContact O-CD2 3.06Å; A1452-H1455 VanDerWaalsContact O-CD2 3.23Å; A1452-H1455 PolarHBondContact O-N 3.34Å; A1452-L1457 HydrophobicContact CB-CD1 3.88Å; A1452-L1499 HydrophobicContact CB-CD2 3.85Å; A1452-L1506 HydrophobicContact CB-CD2 3.92Å |
| 1453 | K | 73.8 | Confident | 64.9 | Low | 105 Ų | 105 | 68.6 Ų | 68.6 | 46% | 0.457 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 39.1 | -179.9 | -63.4 | -172 | -175.1 | -175.8 | 0 | 115.3 | H1455 L1506 C1509 | K1453-H1455 VanDerWaalsContact C-N 3.32Å; K1453-H1455 PolarHBondContact O-N 3.42Å; K1453-L1506 HydrophobicContact CB-CD2 4.32Å; K1453-L1506 HydrophobicContact CD-CB 4.08Å; K1453-L1506 HydrophobicContact CD-CG 4.44Å; K1453-L1506 WeakPolarHBondContact CD-O 3.21Å; K1453-L1506 WeakPolarHBondContact CE-O 3.39Å; K1453-L1506 PolarHBondContact NZ-O 3.32Å; K1453-C1509 PolarHBondContact O-N 3.43Å |
| 1454 | G | 70.2 | Confident | 66.2 | Low | 35 Ų | 35 | 63.3 Ų | 63.3 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1452 C1509 A1512 | A1452-G1454 PolarHBondContact O-N 2.85Å; A1452-G1454 VanDerWaalsContact O-N 3.08Å; G1454-C1509 WeakPolarHBondContact O-CB 3.27Å; G1454-C1509 PolarHBondContact O-SG 3.32Å; G1454-A1512 WeakPolarHBondContact O-CB 3.31Å |
| 1455 | H | 79.4 | Confident | 68.1 | Low | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 141.2 | 172.3 | -61.8 | -90.9 | 0 | 0 | 0 | 111 | Y1451 A1452 K1453 L1457 C1487 C1490 I1492 P1507 C1509 | Y1451-H1455 WeakPolarHBondContact CA-O 3.24Å; A1452-H1455 PolarHBondContact N-O 2.83Å; A1452-H1455 VanDerWaalsContact N-O 3.08Å; A1452-H1455 VanDerWaalsContact O-CB 3.25Å; A1452-H1455 WeakPolarHBondContact O-CB 3.46Å; A1452-H1455 PolarHBondContact O-CD2 3.06Å; A1452-H1455 VanDerWaalsContact O-CD2 3.23Å; A1452-H1455 PolarHBondContact O-N 3.34Å; K1453-H1455 VanDerWaalsContact C-N 3.32Å; K1453-H1455 PolarHBondContact O-N 3.42Å; H1455-L1457 HydrophobicContact CB-CD1 3.87Å; H1455-L1457 HydrophobicContact CB-CD2 3.99Å; H1455-L1457 HydrophobicContact CB-CG 3.68Å; H1455-C1487 VanDerWaalsContact CA-SG 3.54Å; H1455-C1487 HydrophobicContact CB-CB 4.21Å; H1455-C1487 WeakPolarHBondContact CB-SG 3.31Å; H1455-C1487 PolarHBondContact ND1-SG 3.42Å; H1455-C1490 PolarHBondContact CE1-SG 3.09Å; H1455-C1490 PolarHBondContact ND1-SG 3.02Å; H1455-C1490 VanDerWaalsContact ND1-SG 3.37Å; H1455-I1492 VanDerWaalsContact CE1-CG2 3.49Å; H1455-I1492 WeakPolarHBondContact CE1-CG2 3.47Å; H1455-I1492 VanDerWaalsContact ND1-CG2 3.31Å; H1455-I1492 WeakPolarHBondContact ND1-CG2 3.45Å; H1455-P1507 PolarHBondContact NE2-O 2.87Å; H1455-C1509 HydrophobicContact CB-CB 4.41Å; H1455-C1509 VanDerWaalsContact CE1-CA 3.49Å; H1455-C1509 WeakPolarHBondContact CE1-CA 3.47Å; H1455-C1509 WeakPolarHBondContact NE2-CA 3.49Å; H1455-C1509 PolarHBondContact NE2-N 3.33Å |
| 1456 | V | 82.6 | Confident | 70.3 | Confident | 12 Ų | 12 | 55 Ų | 55 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 95.8 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | T1449 Y1451 C1487 T1488 D1489 | T1449-V1456 HydrophobicContact CG2-CG1 3.61Å; Y1451-V1456 HydrophobicContact CD1-CB 4.47Å; Y1451-V1456 HydrophobicContact CD1-CG1 4.45Å; Y1451-V1456 HydrophobicContact CD1-CG2 3.88Å; Y1451-V1456 HydrophobicContact CE1-CB 4.23Å; Y1451-V1456 HydrophobicContact CE1-CG1 3.84Å; Y1451-V1456 HydrophobicContact CE1-CG2 3.64Å; V1456-C1487 PolarHBondContact N-SG 3.18Å; V1456-C1487 CarbonylContact O-C 2.87Å; V1456-C1487 VanDerWaalsContact O-CA 3.23Å; V1456-C1487 WeakPolarHBondContact O-CA 3.49Å; V1456-T1488 WeakPolarHBondContact CB-OG1 3.37Å; V1456-T1488 WeakPolarHBondContact CG1-OG1 3.25Å; V1456-T1488 PolarHBondContact O-N 3.34Å; V1456-T1488 PolarHBondContact O-OG1 3.31Å; V1456-D1489 WeakPolarHBondContact CG2-OD2 3.44Å |
| 1457 | L | 85.3 | Confident | 72.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 99.4 | -158.1 | -70.5 | 160.8 | 0 | 0 | 0 | 112 | T1449 I1450 A1452 H1455 Y1485 Q1486 C1487 I1492 L1494 L1499 | T1449-L1457 CarbonylContact C-O 3.59Å; T1449-L1457 WeakPolarHBondContact CA-O 3.22Å; I1450-L1457 HydrophobicContact CB-CB 4.3Å; I1450-L1457 PolarHBondContact N-O 2.97Å; I1450-L1457 WeakPolarHBondContact O-CB 3.48Å; I1450-L1457 PolarHBondContact O-N 3.22Å; A1452-L1457 HydrophobicContact CB-CD1 3.88Å; H1455-L1457 HydrophobicContact CB-CD1 3.87Å; H1455-L1457 HydrophobicContact CB-CD2 3.99Å; H1455-L1457 HydrophobicContact CB-CG 3.68Å; L1457-Y1485 HydrophobicContact CB-CD1 4.34Å; L1457-Y1485 WeakPolarHBondContact O-CD1 3.15Å; L1457-Q1486 CarbonylContact C-O 3.57Å; L1457-Q1486 WeakPolarHBondContact CA-O 3.35Å; L1457-C1487 HydrophobicContact CD2-CB 3.82Å; L1457-I1492 HydrophobicContact CD2-CG2 4.44Å; L1457-L1494 HydrophobicContact CD1-CD1 4.26Å; L1457-L1494 HydrophobicContact CD2-CD1 3.65Å; L1457-L1494 HydrophobicContact CD2-CG 4.42Å; L1457-L1499 HydrophobicContact CD1-CD1 3.96Å; L1457-L1499 HydrophobicContact CD1-CD2 3.44Å; L1457-L1499 VanDerWaalsContact CD1-CD2 3.44Å; L1457-L1499 HydrophobicContact CD1-CG 4.33Å |
| 1458 | Q | 83.8 | Confident | 74.6 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 126.7 | 179.9 | -174.3 | 174.5 | 1 | 0 | 0 | 110.8 | D245 I1460 Y1485 Q1486 T1488 | D245-Q1458 PolarHBondContact OD2-NE2 2.72Å; D245-Q1458 PolarHBondContact OD2-OE1 2.82Å; Q1458-I1460 PolarHBondContact O-N 3.2Å; Q1458-Y1485 CarbonylContact O-C 3.4Å; Q1458-Y1485 VanDerWaalsContact O-CA 3.24Å; Q1458-Y1485 WeakPolarHBondContact O-CA 3.48Å; Q1458-Q1486 PolarHBondContact N-O 3.08Å; Q1458-Q1486 PolarHBondContact O-N 3.38Å; Q1458-T1488 HydrophobicContact CB-CG2 3.83Å |
| 1459 | R | 83.6 | Confident | 75.7 | Confident | 97 Ų | 97 | 48.8 Ų | 48.8 | 37% | 0.366 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 120.9 | 178.7 | -176.8 | -175.8 | 174.7 | -159.2 | 5.2 | 110.2 | E1446 S1448 V1483 S1484 Y1485 | E1446-R1459 IonicContact OE2-CZ 3.77Å; E1446-R1459 IonicContact OE2-NH1 3.46Å; E1446-R1459 PolarHBondContact OE2-NH1 3.13Å; S1448-R1459 VanDerWaalsContact O-CB 3.22Å; S1448-R1459 WeakPolarHBondContact O-CB 3.3Å; S1448-R1459 PolarHBondContact O-N 3.3Å; R1459-V1483 HydrophobicContact CG-CG1 4.07Å; R1459-S1484 CarbonylContact C-O 3.21Å; R1459-S1484 VanDerWaalsContact CA-O 3.3Å; R1459-S1484 WeakPolarHBondContact CA-O 3.19Å; R1459-Y1485 HydrophobicContact CB-CD1 3.92Å; R1459-Y1485 HydrophobicContact CB-CE1 3.63Å; R1459-Y1485 HydrophobicContact CG-CE1 4.22Å |
| 1460 | I | 76.4 | Confident | 76 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.7 | -178.2 | -67.7 | -177.4 | 0 | 0 | 0 | 109.9 | Q1458 F1462 S1484 Q1486 | Q1458-I1460 PolarHBondContact O-N 3.2Å; I1460-F1462 HydrophobicContact CB-CD2 4.47Å; I1460-F1462 HydrophobicContact CB-CE2 4.16Å; I1460-F1462 HydrophobicContact CB-CZ 4.22Å; I1460-F1462 HydrophobicContact CG2-CD1 3.78Å; I1460-F1462 HydrophobicContact CG2-CD2 3.93Å; I1460-F1462 HydrophobicContact CG2-CE1 3.8Å; I1460-F1462 HydrophobicContact CG2-CE2 3.96Å; I1460-F1462 HydrophobicContact CG2-CG 3.87Å; I1460-F1462 HydrophobicContact CG2-CZ 3.9Å; I1460-S1484 PolarHBondContact N-O 3.34Å; I1460-S1484 CarbonylContact O-C 3.57Å; I1460-S1484 WeakPolarHBondContact O-CB 3.47Å; I1460-S1484 PolarHBondContact O-N 2.92Å; I1460-S1484 VanDerWaalsContact O-O 3.14Å; I1460-Q1486 HydrophobicContact CD1-CB 3.76Å |
| 1461 | L | 77.5 | Confident | 76.1 | Confident | 86 Ų | 86 | 44 Ų | 44 | 45% | 0.45 | 21% | 0.213 | S | C | . | . | trans | -98.9 | 91.6 | 168.3 | -67.4 | -178.1 | 0 | 0 | 0 | 107.9 | R1463 P1481 V1483 | L1461-R1463 PolarHBondContact O-N 3.48Å; L1461-P1481 HydrophobicContact CB-CB 4.46Å; L1461-P1481 HydrophobicContact CB-CG 3.86Å; L1461-P1481 HydrophobicContact CD2-CG 4.35Å; L1461-V1483 HydrophobicContact CD2-CB 4.45Å; L1461-V1483 HydrophobicContact CD2-CG2 4.18Å | ||
| 1462 | F | 70.2 | Confident | 76 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 95.2 | -179.5 | -62.9 | -85.3 | 0 | 0 | 0 | 109.8 | H129 I1460 S1464 A1466 C1475 S1476 G1477 P1481 Q1486 K1493 | H129-F1462 AromaticContact CE1-CD1 3.08Å; H129-F1462 WeakPolarHBondContact CE1-CD1 3.21Å; H129-F1462 AromaticContact CE1-CE1 3.61Å; H129-F1462 AromaticContact NE2-CD1 3.48Å; H129-F1462 WeakPolarHBondContact NE2-CD1 3.41Å; H129-F1462 AromaticContact NE2-CE1 2.91Å; H129-F1462 WeakPolarHBondContact NE2-CE1 3.23Å; I1460-F1462 HydrophobicContact CB-CD2 4.47Å; I1460-F1462 HydrophobicContact CB-CE2 4.16Å; I1460-F1462 HydrophobicContact CB-CZ 4.22Å; I1460-F1462 HydrophobicContact CG2-CD1 3.78Å; I1460-F1462 HydrophobicContact CG2-CD2 3.93Å; I1460-F1462 HydrophobicContact CG2-CE1 3.8Å; I1460-F1462 HydrophobicContact CG2-CE2 3.96Å; I1460-F1462 HydrophobicContact CG2-CG 3.87Å; I1460-F1462 HydrophobicContact CG2-CZ 3.9Å; F1462-S1464 WeakPolarHBondContact CB-O 3.37Å; F1462-S1464 PolarHBondContact O-N 3.03Å; F1462-A1466 HydrophobicContact CB-CB 4.11Å; F1462-A1466 HydrophobicContact CD1-CB 3.47Å; F1462-A1466 VanDerWaalsContact CD1-CB 3.47Å; F1462-A1466 HydrophobicContact CD2-CB 4.3Å; F1462-A1466 HydrophobicContact CE1-CB 3.84Å; F1462-A1466 HydrophobicContact CG-CB 3.72Å; F1462-A1466 HydrophobicContact CZ-CB 4.37Å; F1462-C1475 HydrophobicContact CB-CB 4.48Å; F1462-C1475 WeakPolarHBondContact CB-O 3.4Å; F1462-C1475 HydrophobicContact CD2-CB 3.42Å; F1462-C1475 VanDerWaalsContact CD2-CB 3.42Å; F1462-C1475 HydrophobicContact CE2-CB 3.83Å; F1462-C1475 HydrophobicContact CG-CB 4.15Å; F1462-S1476 CarbonylContact O-C 3.55Å; F1462-S1476 WeakPolarHBondContact O-CA 3.15Å; F1462-G1477 PolarHBondContact O-N 3.28Å; F1462-P1481 VanDerWaalsContact O-CB 3.29Å; F1462-P1481 WeakPolarHBondContact O-CB 3.36Å; F1462-Q1486 HydrophobicContact CZ-CB 4.15Å; F1462-K1493 HydrophobicContact CE1-CD 4.04Å; F1462-K1493 HydrophobicContact CZ-CB 4.22Å; F1462-K1493 HydrophobicContact CZ-CD 3.92Å; F1462-K1493 HydrophobicContact CZ-CG 3.93Å |
| 1463 | R | 60.7 | Low | 76 | Confident | 162 Ų | 162 | 40.3 Ų | 40.3 | 61% | 0.611 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -71.9 | 21.2 | 169.7 | -66.8 | -177.9 | 173.5 | -82 | 4.1 | 112.3 | L1461 V1478 P1481 | L1461-R1463 PolarHBondContact O-N 3.48Å; R1463-V1478 PolarHBondContact NH1-O 3.23Å; R1463-P1481 HydrophobicContact CG-CG 4.28Å |
| 1464 | S | 58.4 | Low | 76.2 | Confident | 21 Ų | 21 | 35.7 Ų | 35.7 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -161.1 | 128.5 | -143.1 | 48.9 | 0 | 0 | 0 | 0 | 109.6 | H129 Q485 F1462 A1466 S1476 | H129-S1464 PolarHBondContact CE1-OG 2.87Å; Q485-S1464 VanDerWaalsContact CD-CB 3.44Å; F1462-S1464 WeakPolarHBondContact CB-O 3.37Å; F1462-S1464 PolarHBondContact O-N 3.03Å; S1464-A1466 PolarHBondContact O-N 3Å; S1464-A1466 VanDerWaalsContact O-N 3.09Å; S1464-S1476 VanDerWaalsContact C-CB 3.44Å; S1464-S1476 WeakPolarHBondContact O-CB 3.44Å |
| 1465 | Y | 65.3 | Low | 76.3 | Confident | 43 Ų | 43 | 34 Ų | 34 | 17% | 0.169 | 16% | 0.159 | C | C | . | . | trans | -56.8 | 123.7 | -170.2 | -172.4 | -89.4 | 0 | 0 | 0 | 112.4 | L126 P482 G483 T1467 S1476 | L126-Y1465 VanDerWaalsContact O-O 3.06Å; P482-Y1465 HydrophobicContact CB-CD1 4.02Å; P482-Y1465 HydrophobicContact CB-CE1 3.29Å; G483-Y1465 WeakPolarHBondContact O-CB 3.45Å; Y1465-T1467 HydrophobicContact CE1-CG2 3.95Å; Y1465-T1467 VanDerWaalsContact OH-CG2 3.23Å; Y1465-T1467 WeakPolarHBondContact OH-CG2 3.45Å; Y1465-S1476 WeakPolarHBondContact CA-OG 3.17Å | ||
| 1466 | A | 73.1 | Confident | 75.9 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | trans | -151.5 | 129 | -179.6 | 0 | 0 | 0 | 0 | 0 | 107 | F1462 S1464 S1474 C1475 K1493 | F1462-A1466 HydrophobicContact CB-CB 4.11Å; F1462-A1466 HydrophobicContact CD1-CB 3.47Å; F1462-A1466 VanDerWaalsContact CD1-CB 3.47Å; F1462-A1466 HydrophobicContact CD2-CB 4.3Å; F1462-A1466 HydrophobicContact CE1-CB 3.84Å; F1462-A1466 HydrophobicContact CG-CB 3.72Å; F1462-A1466 HydrophobicContact CZ-CB 4.37Å; S1464-A1466 PolarHBondContact O-N 3Å; S1464-A1466 VanDerWaalsContact O-N 3.09Å; A1466-S1474 CarbonylContact O-C 3.5Å; A1466-S1474 WeakPolarHBondContact O-CA 3.35Å; A1466-C1475 HydrophobicContact CB-CB 4.28Å; A1466-C1475 PolarHBondContact O-N 3.4Å; A1466-K1493 HydrophobicContact CB-CD 4.05Å | ||
| 1467 | T | 79.7 | Confident | 75 | Confident | 34 Ų | 34 | 34 Ų | 34 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -82.6 | 152.4 | 163.4 | 48.6 | 0 | 0 | 0 | 0 | 110.1 | Y1465 Q1472 N1473 K1493 | Y1465-T1467 HydrophobicContact CE1-CG2 3.95Å; Y1465-T1467 VanDerWaalsContact OH-CG2 3.23Å; Y1465-T1467 WeakPolarHBondContact OH-CG2 3.45Å; T1467-Q1472 WeakPolarHBondContact CG2-O 3.27Å; T1467-N1473 CarbonylContact C-O 3.56Å; T1467-N1473 WeakPolarHBondContact CA-O 3.27Å; T1467-K1493 VanDerWaalsContact O-CB 3.26Å; T1467-K1493 WeakPolarHBondContact O-CB 3.38Å; T1467-K1493 WeakPolarHBondContact O-CD 3.22Å |
| 1468 | C | 84.4 | Confident | 73.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -78.3 | 140.7 | 156.8 | 160.4 | 0 | 0 | 0 | 0 | 109.2 | L1470 C1471 Q1472 N1473 C1475 K1493 H1495 H1498 | C1468-L1470 VanDerWaalsContact SG-C 3.59Å; C1468-L1470 PolarHBondContact SG-N 3.34Å; C1468-C1471 HydrophobicContact CB-CB 4.4Å; C1468-C1471 CarbonylContact O-C 3.59Å; C1468-C1471 PolarHBondContact O-N 3.42Å; C1468-C1471 PolarHBondContact SG-N 2.99Å; C1468-Q1472 VanDerWaalsContact O-CA 3.23Å; C1468-Q1472 WeakPolarHBondContact O-CA 3.23Å; C1468-Q1472 PolarHBondContact O-N 3.37Å; C1468-N1473 PolarHBondContact N-O 3.33Å; C1468-C1475 WeakPolarHBondContact CB-SG 3.2Å; C1468-C1475 PolarHBondContact N-SG 3.37Å; C1468-C1475 VanDerWaalsContact N-SG 3.4Å; C1468-K1493 CarbonylContact C-O 3.54Å; C1468-K1493 VanDerWaalsContact CA-O 3.22Å; C1468-K1493 WeakPolarHBondContact CA-O 3.18Å; C1468-K1493 WeakPolarHBondContact CB-O 2.83Å; C1468-K1493 PolarHBondContact SG-O 2.87Å; C1468-H1495 VanDerWaalsContact CB-NE2 3.33Å; C1468-H1495 WeakPolarHBondContact CB-NE2 2.94Å; C1468-H1498 PolarHBondContact SG-CE1 3.05Å; C1468-H1498 PolarHBondContact SG-ND1 3.42Å | ||
| 1469 | D | 80.7 | Confident | 71.6 | Confident | 74 Ų | 74 | 39.8 Ų | 39.8 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -40 | 177.2 | -50.4 | -82.3 | 0 | 0 | 0 | 112.6 | C1471 Q1472 I1492 K1493 | D1469-C1471 PolarHBondContact O-N 2.95Å; D1469-Q1472 PolarHBondContact O-NE2 3.46Å; D1469-I1492 HydrophobicContact CB-CD1 4.23Å; D1469-I1492 HydrophobicContact CB-CG1 3.58Å; D1469-I1492 VanDerWaalsContact OD2-CA 3.31Å; D1469-I1492 WeakPolarHBondContact OD2-CA 3.43Å; D1469-K1493 PolarHBondContact N-O 3.18Å; D1469-K1493 PolarHBondContact OD2-N 2.87Å |
| 1470 | L | 78.4 | Confident | 70.2 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -7.5 | 167.9 | -76.2 | -169 | 0 | 0 | 0 | 113.5 | A634 C1468 I1492 L1494 Y1504 L1506 | A634-L1470 WeakPolarHBondContact CA-O 3.3Å; A634-L1470 WeakPolarHBondContact CB-O 3.26Å; C1468-L1470 VanDerWaalsContact SG-C 3.59Å; C1468-L1470 PolarHBondContact SG-N 3.34Å; L1470-I1492 HydrophobicContact CG-CD1 4.2Å; L1470-L1494 HydrophobicContact CB-CD2 3.8Å; L1470-L1494 HydrophobicContact CD1-CD2 3.55Å; L1470-L1494 HydrophobicContact CG-CD2 3.57Å; L1470-Y1504 WeakPolarHBondContact O-CD1 3.22Å; L1470-L1506 HydrophobicContact CD1-CB 4.11Å; L1470-L1506 HydrophobicContact CD1-CD1 4.05Å |
| 1471 | C | 78.8 | Confident | 69.9 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -150.7 | 4 | -178.4 | 101.5 | 0 | 0 | 0 | 0 | 120.2 | A634 R637 E638 C1468 D1469 N1473 H1495 H1498 Y1504 | A634-C1471 CarbonylContact C-O 3.41Å; A634-C1471 VanDerWaalsContact CA-CA 3.5Å; A634-C1471 HydrophobicContact CB-CB 4.46Å; A634-C1471 CarbonylContact O-C 3.58Å; A634-C1471 WeakPolarHBondContact O-CA 3.37Å; A634-C1471 WeakPolarHBondContact O-CB 3.39Å; R637-C1471 VanDerWaalsContact C-SG 3.57Å; R637-C1471 HydrophobicContact CB-CB 3.47Å; R637-C1471 VanDerWaalsContact CB-CB 3.47Å; R637-C1471 WeakPolarHBondContact CB-SG 3.27Å; E638-C1471 VanDerWaalsContact CA-O 3.26Å; E638-C1471 WeakPolarHBondContact CA-O 3.25Å; E638-C1471 WeakPolarHBondContact CB-O 3.21Å; E638-C1471 PolarHBondContact N-O 2.78Å; C1468-C1471 HydrophobicContact CB-CB 4.4Å; C1468-C1471 CarbonylContact O-C 3.59Å; C1468-C1471 PolarHBondContact O-N 3.42Å; C1468-C1471 PolarHBondContact SG-N 2.99Å; D1469-C1471 PolarHBondContact O-N 2.95Å; C1471-N1473 PolarHBondContact O-N 3.42Å; C1471-H1495 PolarHBondContact SG-CE1 3.5Å; C1471-H1495 PolarHBondContact SG-ND1 3.49Å; C1471-H1495 PolarHBondContact SG-NE2 2.91Å; C1471-H1498 PolarHBondContact SG-CE1 2.91Å; C1471-Y1504 HydrophobicContact CB-CE1 4.04Å |
| 1472 | Q | 76.6 | Confident | 69.5 | Low | 79 Ų | 79 | 36 Ų | 36 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | trans | 50.4 | 5 | 178.2 | -53.4 | -53 | -37.6 | 0 | 0 | 116.6 | E638 T1467 C1468 D1469 | E638-Q1472 HydrophobicContact CG-CB 4.22Å; E638-Q1472 WeakPolarHBondContact OE2-CB 3.03Å; T1467-Q1472 WeakPolarHBondContact CG2-O 3.27Å; C1468-Q1472 VanDerWaalsContact O-CA 3.23Å; C1468-Q1472 WeakPolarHBondContact O-CA 3.23Å; C1468-Q1472 PolarHBondContact O-N 3.37Å; D1469-Q1472 PolarHBondContact O-NE2 3.46Å | ||
| 1473 | N | 76.6 | Confident | 70 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -83.7 | 152.7 | 175.8 | -140.1 | -26.1 | 0 | 0 | 0 | 111.9 | R637 E638 L639 N641 K642 T1467 C1468 C1471 C1475 H1495 | R637-N1473 WeakPolarHBondContact O-CB 3.38Å; R637-N1473 VanDerWaalsContact O-CG 3.31Å; R637-N1473 PolarHBondContact O-ND2 3.48Å; E638-N1473 VanDerWaalsContact CA-CB 3.48Å; E638-N1473 VanDerWaalsContact CA-CG 3.49Å; E638-N1473 WeakPolarHBondContact CA-ND2 3.42Å; E638-N1473 PolarHBondContact O-ND2 3.38Å; E638-N1473 PolarHBondContact O-OD1 2.88Å; E638-N1473 VanDerWaalsContact O-OD1 3.09Å; L639-N1473 PolarHBondContact N-ND2 2.87Å; N641-N1473 WeakPolarHBondContact CA-ND2 2.93Å; N641-N1473 HydrophobicContact CB-CB 4.27Å; N641-N1473 VanDerWaalsContact CB-ND2 3.31Å; N641-N1473 WeakPolarHBondContact CB-ND2 3.11Å; N641-N1473 PolarHBondContact N-ND2 3.28Å; N641-N1473 PolarHBondContact ND2-ND2 2.82Å; K642-N1473 WeakPolarHBondContact CG-OD1 3.13Å; K642-N1473 PolarHBondContact N-ND2 2.83Å; K642-N1473 VanDerWaalsContact N-ND2 3.2Å; K642-N1473 PolarHBondContact N-OD1 2.6Å; T1467-N1473 CarbonylContact C-O 3.56Å; T1467-N1473 WeakPolarHBondContact CA-O 3.27Å; C1468-N1473 PolarHBondContact N-O 3.33Å; C1471-N1473 PolarHBondContact O-N 3.42Å; N1473-C1475 PolarHBondContact O-N 2.89Å; N1473-H1495 WeakPolarHBondContact CA-NE2 3.21Å; N1473-H1495 WeakPolarHBondContact CB-NE2 3.38Å; N1473-H1495 PolarHBondContact O-NE2 3.45Å |
| 1474 | S | 79.3 | Confident | 71.3 | Confident | 8 Ų | 8 | 31 Ų | 31 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -43 | 97.5 | 153.7 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | N641 A1466 S1476 | N641-S1474 WeakPolarHBondContact CB-O 3.33Å; A1466-S1474 CarbonylContact O-C 3.5Å; A1466-S1474 WeakPolarHBondContact O-CA 3.35Å; S1474-S1476 PolarHBondContact O-N 3.41Å; S1474-S1476 VanDerWaalsContact O-N 3.16Å; S1474-S1476 WeakPolarHBondContact OG-CA 3.03Å; S1474-S1476 PolarHBondContact OG-N 2.85Å; S1474-S1476 VanDerWaalsContact OG-N 3.12Å; S1474-S1476 PolarHBondContact OG-O 3.07Å; S1474-S1476 PolarHBondContact OG-OG 3.17Å |
| 1475 | C | 71.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -64 | -2.4 | 152.5 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | F1462 A1466 C1468 N1473 P1482 S1484 | F1462-C1475 HydrophobicContact CB-CB 4.48Å; F1462-C1475 WeakPolarHBondContact CB-O 3.4Å; F1462-C1475 HydrophobicContact CD2-CB 3.42Å; F1462-C1475 VanDerWaalsContact CD2-CB 3.42Å; F1462-C1475 HydrophobicContact CE2-CB 3.83Å; F1462-C1475 HydrophobicContact CG-CB 4.15Å; A1466-C1475 HydrophobicContact CB-CB 4.28Å; A1466-C1475 PolarHBondContact O-N 3.4Å; C1468-C1475 WeakPolarHBondContact CB-SG 3.2Å; C1468-C1475 PolarHBondContact N-SG 3.37Å; C1468-C1475 VanDerWaalsContact N-SG 3.4Å; N1473-C1475 PolarHBondContact O-N 2.89Å; C1475-P1482 WeakPolarHBondContact O-CD 3.24Å; C1475-P1482 WeakPolarHBondContact O-CG 3.2Å; C1475-S1484 WeakPolarHBondContact CB-OG 3.35Å | ||
| 1476 | S | 72.1 | Confident | 73.9 | Confident | 12 Ų | 12 | 30.4 Ų | 30.4 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -103.7 | 152.6 | -166 | 80.3 | 0 | 0 | 0 | 0 | 115.5 | L645 F1462 S1464 Y1465 S1474 | L645-S1476 WeakPolarHBondContact CD2-O 3.2Å; F1462-S1476 CarbonylContact O-C 3.55Å; F1462-S1476 WeakPolarHBondContact O-CA 3.15Å; S1464-S1476 VanDerWaalsContact C-CB 3.44Å; S1464-S1476 WeakPolarHBondContact O-CB 3.44Å; Y1465-S1476 WeakPolarHBondContact CA-OG 3.17Å; S1474-S1476 PolarHBondContact O-N 3.41Å; S1474-S1476 VanDerWaalsContact O-N 3.16Å; S1474-S1476 WeakPolarHBondContact OG-CA 3.03Å; S1474-S1476 PolarHBondContact OG-N 2.85Å; S1474-S1476 VanDerWaalsContact OG-N 3.12Å; S1474-S1476 PolarHBondContact OG-O 3.07Å; S1474-S1476 PolarHBondContact OG-OG 3.17Å |
| 1477 | G | 62.4 | Low | 74.4 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | trans | -167.7 | 129.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L645 F1462 P1481 | L645-G1477 VanDerWaalsContact CD1-CA 3.46Å; F1462-G1477 PolarHBondContact O-N 3.28Å; G1477-P1481 WeakPolarHBondContact O-CB 2.82Å; G1477-P1481 WeakPolarHBondContact O-CD 3.03Å | ||
| 1478 | V | 50.9 | Low | 74.4 | Confident | 62 Ų | 62 | 30.4 Ų | 30.4 | 38% | 0.376 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -62 | -49.4 | -179.7 | 179 | 0 | 0 | 0 | 0 | 111 | F486 R1463 | F486-V1478 HydrophobicContact CD2-CG2 4.08Å; F486-V1478 HydrophobicContact CE2-CG2 4.24Å; R1463-V1478 PolarHBondContact NH1-O 3.23Å |
| 1479 | F | 47.6 | Very low | 73.6 | Confident | 98 Ų | 98 | 32.4 Ų | 32.4 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -98.7 | -32.8 | -176.5 | -64.4 | -59.4 | 0 | 0 | 0 | 114.3 | K652 | K652-F1479 HydrophobicContact CD-CB 3.79Å; K652-F1479 HydrophobicContact CD-CD1 4.02Å; K652-F1479 HydrophobicContact CD-CD2 3.59Å; K652-F1479 HydrophobicContact CD-CE2 4.12Å; K652-F1479 HydrophobicContact CD-CG 3.52Å |
| 1480 | H | 53.6 | Low | 73.3 | Confident | 100 Ų | 100 | 30.3 Ų | 30.3 | 46% | 0.463 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -145.3 | 84 | -179.8 | -60.3 | 97.9 | 0 | 0 | 0 | 109.1 | I648 | I648-H1480 HydrophobicContact CD1-CB 3.7Å; I648-H1480 HydrophobicContact CG2-CB 4.13Å; I648-H1480 WeakPolarHBondContact CG2-ND1 2.92Å |
| 1481 | P | 70.7 | Confident | 73.5 | Confident | 20 Ų | 20 | 33.3 Ų | 33.3 | 13% | 0.13 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 133.7 | 176.4 | 28.5 | -33.2 | 0 | 0 | 0 | 111 | L1461 F1462 R1463 G1477 | L1461-P1481 HydrophobicContact CB-CB 4.46Å; L1461-P1481 HydrophobicContact CB-CG 3.86Å; L1461-P1481 HydrophobicContact CD2-CG 4.35Å; F1462-P1481 VanDerWaalsContact O-CB 3.29Å; F1462-P1481 WeakPolarHBondContact O-CB 3.36Å; R1463-P1481 HydrophobicContact CG-CG 4.28Å; G1477-P1481 WeakPolarHBondContact O-CB 2.82Å; G1477-P1481 WeakPolarHBondContact O-CD 3.03Å |
| 1482 | P | 69.5 | Low | 73.6 | Confident | 31 Ų | 31 | 34 Ų | 34 | 20% | 0.201 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 136.9 | 175.4 | 28.4 | -34.8 | 0 | 0 | 0 | 110.6 | N641 C1475 S1484 | N641-P1482 HydrophobicContact CB-CG 4.26Å; N641-P1482 WeakPolarHBondContact OD1-CB 3.3Å; C1475-P1482 WeakPolarHBondContact O-CD 3.24Å; C1475-P1482 WeakPolarHBondContact O-CG 3.2Å; P1482-S1484 PolarHBondContact O-N 3.12Å; P1482-S1484 PolarHBondContact O-OG 3.1Å |
| 1483 | V | 80.8 | Confident | 74 | Confident | 58 Ų | 58 | 31.3 Ų | 31.3 | 35% | 0.352 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 125.2 | -177.6 | -171.1 | 0 | 0 | 0 | 0 | 109.2 | R1459 L1461 A1496 | R1459-V1483 HydrophobicContact CG-CG1 4.07Å; L1461-V1483 HydrophobicContact CD2-CB 4.45Å; L1461-V1483 HydrophobicContact CD2-CG2 4.18Å; V1483-A1496 HydrophobicContact CB-CB 4.04Å; V1483-A1496 HydrophobicContact CG1-CB 4.03Å; V1483-A1496 WeakPolarHBondContact O-CB 3.32Å; V1483-A1496 PolarHBondContact O-N 3.25Å |
| 1484 | S | 87.8 | Confident | 74.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 170.1 | -173.7 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | R1459 I1460 C1475 P1482 L1494 | R1459-S1484 CarbonylContact C-O 3.21Å; R1459-S1484 VanDerWaalsContact CA-O 3.3Å; R1459-S1484 WeakPolarHBondContact CA-O 3.19Å; I1460-S1484 PolarHBondContact N-O 3.34Å; I1460-S1484 CarbonylContact O-C 3.57Å; I1460-S1484 WeakPolarHBondContact O-CB 3.47Å; I1460-S1484 PolarHBondContact O-N 2.92Å; I1460-S1484 VanDerWaalsContact O-O 3.14Å; C1475-S1484 WeakPolarHBondContact CB-OG 3.35Å; P1482-S1484 PolarHBondContact O-N 3.12Å; P1482-S1484 PolarHBondContact O-OG 3.1Å; S1484-L1494 CarbonylContact C-O 3.55Å; S1484-L1494 WeakPolarHBondContact CA-O 3.31Å; S1484-L1494 WeakPolarHBondContact CB-O 2.87Å |
| 1485 | Y | 87.9 | Confident | 74.9 | Confident | 34 Ų | 34 | 31 Ų | 31 | 13% | 0.133 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.7 | 175.4 | -66.9 | -86.8 | 0 | 0 | 0 | 109.1 | I1450 L1457 Q1458 R1459 K1493 L1494 A1496 L1499 | I1450-Y1485 HydrophobicContact CB-CE1 4.45Å; I1450-Y1485 HydrophobicContact CD1-CD1 4.48Å; I1450-Y1485 HydrophobicContact CD1-CE1 3.57Å; I1450-Y1485 HydrophobicContact CD1-CE2 4.37Å; I1450-Y1485 WeakPolarHBondContact CD1-OH 3.2Å; I1450-Y1485 HydrophobicContact CG1-CE1 3.9Å; L1457-Y1485 HydrophobicContact CB-CD1 4.34Å; L1457-Y1485 WeakPolarHBondContact O-CD1 3.15Å; Q1458-Y1485 CarbonylContact O-C 3.4Å; Q1458-Y1485 VanDerWaalsContact O-CA 3.24Å; Q1458-Y1485 WeakPolarHBondContact O-CA 3.48Å; R1459-Y1485 HydrophobicContact CB-CD1 3.92Å; R1459-Y1485 HydrophobicContact CB-CE1 3.63Å; R1459-Y1485 HydrophobicContact CG-CE1 4.22Å; Y1485-K1493 CarbonylContact O-C 3.33Å; Y1485-K1493 WeakPolarHBondContact O-CA 2.99Å; Y1485-L1494 PolarHBondContact N-O 3.47Å; Y1485-L1494 PolarHBondContact O-N 3.38Å; Y1485-A1496 HydrophobicContact CD2-CB 4.31Å; Y1485-A1496 HydrophobicContact CE2-CB 3.76Å; Y1485-L1499 HydrophobicContact CD1-CD1 4.46Å; Y1485-L1499 HydrophobicContact CD2-CD1 3.56Å; Y1485-L1499 HydrophobicContact CE2-CD1 3.93Å; Y1485-L1499 HydrophobicContact CG-CD1 3.87Å |
| 1486 | Q | 89.3 | Confident | 75.4 | Confident | 17 Ų | 17 | 32.9 Ų | 32.9 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.8 | 172.7 | -172 | 164.4 | -11.9 | 0 | 0 | 108.6 | H129 L1457 Q1458 I1460 F1462 T1488 I1492 K1493 | H129-Q1486 PolarHBondContact NE2-OE1 3.45Å; L1457-Q1486 CarbonylContact C-O 3.57Å; L1457-Q1486 WeakPolarHBondContact CA-O 3.35Å; Q1458-Q1486 PolarHBondContact N-O 3.08Å; Q1458-Q1486 PolarHBondContact O-N 3.38Å; I1460-Q1486 HydrophobicContact CD1-CB 3.76Å; F1462-Q1486 HydrophobicContact CZ-CB 4.15Å; Q1486-T1488 PolarHBondContact O-N 3.39Å; Q1486-I1492 CarbonylContact C-O 3.59Å; Q1486-I1492 WeakPolarHBondContact CA-O 2.98Å; Q1486-K1493 HydrophobicContact CG-CG 4.03Å |
| 1487 | C | 84.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 111.1 | 176.7 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | H1455 V1456 L1457 D1489 C1490 Q1491 I1492 | H1455-C1487 VanDerWaalsContact CA-SG 3.54Å; H1455-C1487 HydrophobicContact CB-CB 4.21Å; H1455-C1487 WeakPolarHBondContact CB-SG 3.31Å; H1455-C1487 PolarHBondContact ND1-SG 3.42Å; V1456-C1487 PolarHBondContact N-SG 3.18Å; V1456-C1487 CarbonylContact O-C 2.87Å; V1456-C1487 VanDerWaalsContact O-CA 3.23Å; V1456-C1487 WeakPolarHBondContact O-CA 3.49Å; L1457-C1487 HydrophobicContact CD2-CB 3.82Å; C1487-D1489 CarbonylContact O-C 3.56Å; C1487-D1489 PolarHBondContact O-N 3.4Å; C1487-D1489 WeakPolarHBondContact SG-CB 3.47Å; C1487-C1490 PolarHBondContact SG-N 3.1Å; C1487-Q1491 WeakPolarHBondContact O-CA 3.12Å; C1487-Q1491 PolarHBondContact O-N 2.95Å; C1487-Q1491 PolarHBondContact O-NE2 3.23Å; C1487-I1492 HydrophobicContact CB-CB 4.42Å; C1487-I1492 HydrophobicContact CB-CG2 3.64Å; C1487-I1492 PolarHBondContact N-O 2.99Å |
| 1488 | T | 78.7 | Confident | 76.7 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 22% | 0.221 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32.7 | 175.4 | 63.9 | 0 | 0 | 0 | 0 | 111 | V1456 Q1458 Q1486 Q1491 K1511 | V1456-T1488 WeakPolarHBondContact CB-OG1 3.37Å; V1456-T1488 WeakPolarHBondContact CG1-OG1 3.25Å; V1456-T1488 PolarHBondContact O-N 3.34Å; V1456-T1488 PolarHBondContact O-OG1 3.31Å; Q1458-T1488 HydrophobicContact CB-CG2 3.83Å; Q1486-T1488 PolarHBondContact O-N 3.39Å; T1488-Q1491 PolarHBondContact O-NE2 3.47Å; T1488-K1511 PolarHBondContact O-NZ 3.43Å |
| 1489 | D | 67.7 | Low | 77.8 | Confident | 42 Ų | 42 | 34.9 Ų | 34.9 | 23% | 0.225 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -110.4 | 161.8 | -89.9 | -47.1 | 0 | 0 | 0 | 111.6 | V1456 C1487 Q1491 K1511 | V1456-D1489 WeakPolarHBondContact CG2-OD2 3.44Å; C1487-D1489 CarbonylContact O-C 3.56Å; C1487-D1489 PolarHBondContact O-N 3.4Å; C1487-D1489 WeakPolarHBondContact SG-CB 3.47Å; D1489-Q1491 PolarHBondContact O-N 3.44Å; D1489-K1511 VanDerWaalsContact C-CD 3.45Å; D1489-K1511 VanDerWaalsContact C-CE 3.41Å; D1489-K1511 HydrophobicContact CB-CB 3.86Å; D1489-K1511 HydrophobicContact CB-CD 3.92Å; D1489-K1511 HydrophobicContact CB-CG 3.96Å; D1489-K1511 WeakPolarHBondContact O-CE 3.38Å; D1489-K1511 PolarHBondContact O-NZ 3.04Å; D1489-K1511 WeakPolarHBondContact OD1-CB 3.23Å; D1489-K1511 VanDerWaalsContact OD1-CD 3.3Å; D1489-K1511 WeakPolarHBondContact OD1-CD 3.43Å |
| 1490 | C | 75.9 | Confident | 78.5 | Confident | 30 Ų | 30 | 33.5 Ų | 33.5 | 20% | 0.203 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 17.9 | -163.6 | 80.6 | 0 | 0 | 0 | 0 | 115.8 | H1455 C1487 I1492 K1511 | H1455-C1490 PolarHBondContact CE1-SG 3.09Å; H1455-C1490 PolarHBondContact ND1-SG 3.02Å; H1455-C1490 VanDerWaalsContact ND1-SG 3.37Å; C1487-C1490 PolarHBondContact SG-N 3.1Å; C1490-I1492 PolarHBondContact O-N 2.85Å; C1490-K1511 HydrophobicContact CB-CG 3.9Å |
| 1491 | Q | 80.9 | Confident | 78.7 | Confident | 70 Ų | 70 | 32.4 Ų | 32.4 | 33% | 0.327 | 20% | 0.2 | S | C | . | . | trans | 61.2 | 7.6 | 177.6 | -61.6 | -63.2 | -51.1 | 0 | 0 | 115.3 | C1487 T1488 D1489 K1493 | C1487-Q1491 WeakPolarHBondContact O-CA 3.12Å; C1487-Q1491 PolarHBondContact O-N 2.95Å; C1487-Q1491 PolarHBondContact O-NE2 3.23Å; T1488-Q1491 PolarHBondContact O-NE2 3.47Å; D1489-Q1491 PolarHBondContact O-N 3.44Å; Q1491-K1493 WeakPolarHBondContact O-CG 3.16Å; Q1491-K1493 PolarHBondContact O-N 3.47Å; Q1491-K1493 VanDerWaalsContact O-N 3.1Å | ||
| 1492 | I | 81.7 | Confident | 78.1 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | trans | -60.3 | 116.8 | 179.9 | -153.1 | -179.9 | 0 | 0 | 0 | 110 | H1455 L1457 D1469 L1470 Q1486 C1487 C1490 L1494 L1506 P1507 | H1455-I1492 VanDerWaalsContact CE1-CG2 3.49Å; H1455-I1492 WeakPolarHBondContact CE1-CG2 3.47Å; H1455-I1492 VanDerWaalsContact ND1-CG2 3.31Å; H1455-I1492 WeakPolarHBondContact ND1-CG2 3.45Å; L1457-I1492 HydrophobicContact CD2-CG2 4.44Å; D1469-I1492 HydrophobicContact CB-CD1 4.23Å; D1469-I1492 HydrophobicContact CB-CG1 3.58Å; D1469-I1492 VanDerWaalsContact OD2-CA 3.31Å; D1469-I1492 WeakPolarHBondContact OD2-CA 3.43Å; L1470-I1492 HydrophobicContact CG-CD1 4.2Å; Q1486-I1492 CarbonylContact C-O 3.59Å; Q1486-I1492 WeakPolarHBondContact CA-O 2.98Å; C1487-I1492 HydrophobicContact CB-CB 4.42Å; C1487-I1492 HydrophobicContact CB-CG2 3.64Å; C1487-I1492 PolarHBondContact N-O 2.99Å; C1490-I1492 PolarHBondContact O-N 2.85Å; I1492-L1494 HydrophobicContact CD1-CD2 4.25Å; I1492-L1494 HydrophobicContact CG1-CD2 4.25Å; I1492-L1494 HydrophobicContact CG2-CD1 4.48Å; I1492-L1494 HydrophobicContact CG2-CD2 4.49Å; I1492-L1494 HydrophobicContact CG2-CG 4.36Å; I1492-L1506 HydrophobicContact CD1-CD1 4.01Å; I1492-L1506 HydrophobicContact CG2-CD1 4.23Å; I1492-P1507 HydrophobicContact CD1-CG 4.24Å | ||
| 1493 | K | 86 | Confident | 77.7 | Confident | 22 Ų | 22 | 39.3 Ų | 39.3 | 10% | 0.096 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136.1 | 178.7 | -57.1 | -179.8 | -172.2 | 172.3 | 0 | 107.4 | A127 H129 F1462 A1466 T1467 C1468 D1469 Y1485 Q1486 Q1491 | A127-K1493 PolarHBondContact O-NZ 3.39Å; H129-K1493 VanDerWaalsContact NE2-CE 3.33Å; H129-K1493 WeakPolarHBondContact NE2-CE 2.86Å; H129-K1493 PolarHBondContact NE2-NZ 2.84Å; H129-K1493 VanDerWaalsContact NE2-NZ 3.13Å; F1462-K1493 HydrophobicContact CE1-CD 4.04Å; F1462-K1493 HydrophobicContact CZ-CB 4.22Å; F1462-K1493 HydrophobicContact CZ-CD 3.92Å; F1462-K1493 HydrophobicContact CZ-CG 3.93Å; A1466-K1493 HydrophobicContact CB-CD 4.05Å; T1467-K1493 VanDerWaalsContact O-CB 3.26Å; T1467-K1493 WeakPolarHBondContact O-CB 3.38Å; T1467-K1493 WeakPolarHBondContact O-CD 3.22Å; C1468-K1493 CarbonylContact C-O 3.54Å; C1468-K1493 VanDerWaalsContact CA-O 3.22Å; C1468-K1493 WeakPolarHBondContact CA-O 3.18Å; C1468-K1493 WeakPolarHBondContact CB-O 2.83Å; C1468-K1493 PolarHBondContact SG-O 2.87Å; D1469-K1493 PolarHBondContact N-O 3.18Å; D1469-K1493 PolarHBondContact OD2-N 2.87Å; Y1485-K1493 CarbonylContact O-C 3.33Å; Y1485-K1493 WeakPolarHBondContact O-CA 2.99Å; Q1486-K1493 HydrophobicContact CG-CG 4.03Å; Q1491-K1493 WeakPolarHBondContact O-CG 3.16Å; Q1491-K1493 PolarHBondContact O-N 3.47Å; Q1491-K1493 VanDerWaalsContact O-N 3.1Å |
| 1494 | L | 86.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 137.7 | -171.9 | -58.5 | -179 | 0 | 0 | 0 | 109.6 | L1457 L1470 S1484 Y1485 I1492 H1498 L1499 L1506 | L1457-L1494 HydrophobicContact CD1-CD1 4.26Å; L1457-L1494 HydrophobicContact CD2-CD1 3.65Å; L1457-L1494 HydrophobicContact CD2-CG 4.42Å; L1470-L1494 HydrophobicContact CB-CD2 3.8Å; L1470-L1494 HydrophobicContact CD1-CD2 3.55Å; L1470-L1494 HydrophobicContact CG-CD2 3.57Å; S1484-L1494 CarbonylContact C-O 3.55Å; S1484-L1494 WeakPolarHBondContact CA-O 3.31Å; S1484-L1494 WeakPolarHBondContact CB-O 2.87Å; Y1485-L1494 PolarHBondContact N-O 3.47Å; Y1485-L1494 PolarHBondContact O-N 3.38Å; I1492-L1494 HydrophobicContact CD1-CD2 4.25Å; I1492-L1494 HydrophobicContact CG1-CD2 4.25Å; I1492-L1494 HydrophobicContact CG2-CD1 4.48Å; I1492-L1494 HydrophobicContact CG2-CD2 4.49Å; I1492-L1494 HydrophobicContact CG2-CG 4.36Å; L1494-H1498 HydrophobicContact CB-CB 3.97Å; L1494-H1498 HydrophobicContact CD2-CB 4.44Å; L1494-L1499 HydrophobicContact CD1-CD2 3.99Å; L1494-L1499 HydrophobicContact CD1-CG 4.27Å; L1494-L1506 HydrophobicContact CD1-CD1 3.91Å; L1494-L1506 HydrophobicContact CD2-CD1 4.23Å |
| 1495 | H | 87.2 | Confident | 75.7 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 162.2 | 164.9 | -48.8 | 86.3 | 0 | 0 | 0 | 110.2 | N641 C1468 C1471 N1473 C1497 H1498 | N641-H1495 PolarHBondContact OD1-CD2 3.32Å; C1468-H1495 VanDerWaalsContact CB-NE2 3.33Å; C1468-H1495 WeakPolarHBondContact CB-NE2 2.94Å; C1471-H1495 PolarHBondContact SG-CE1 3.5Å; C1471-H1495 PolarHBondContact SG-ND1 3.49Å; C1471-H1495 PolarHBondContact SG-NE2 2.91Å; N1473-H1495 WeakPolarHBondContact CA-NE2 3.21Å; N1473-H1495 WeakPolarHBondContact CB-NE2 3.38Å; N1473-H1495 PolarHBondContact O-NE2 3.45Å; H1495-C1497 VanDerWaalsContact C-N 3.26Å; H1495-C1497 PolarHBondContact O-N 2.77Å; H1495-H1498 VanDerWaalsContact CB-CD2 3.44Å; H1495-H1498 WeakPolarHBondContact CB-CD2 3.37Å; H1495-H1498 VanDerWaalsContact CB-NE2 3.31Å; H1495-H1498 WeakPolarHBondContact CB-NE2 3.39Å; H1495-H1498 AromaticContact CE1-CD2 3.2Å; H1495-H1498 PolarHBondContact CE1-CD2 3.25Å; H1495-H1498 AromaticContact CE1-CE1 2.3Å; H1495-H1498 PolarHBondContact CE1-CE1 3.38Å; H1495-H1498 AromaticContact CE1-CG 3.93Å; H1495-H1498 AromaticContact CE1-ND1 3.48Å; H1495-H1498 PolarHBondContact CE1-ND1 3.19Å; H1495-H1498 AromaticContact CE1-NE2 1.99Å; H1495-H1498 PolarHBondContact CE1-NE2 3.32Å; H1495-H1498 AromaticContact CG-NE2 3.46Å; H1495-H1498 PolarHBondContact N-CD2 2.88Å; H1495-H1498 PolarHBondContact N-CE1 3.23Å; H1495-H1498 VanDerWaalsContact N-CE1 3.29Å; H1495-H1498 VanDerWaalsContact N-CG 3.31Å; H1495-H1498 PolarHBondContact N-ND1 3.45Å; H1495-H1498 PolarHBondContact N-NE2 2.73Å; H1495-H1498 AromaticContact ND1-CD2 3.94Å; H1495-H1498 AromaticContact ND1-CE1 3.21Å; H1495-H1498 PolarHBondContact ND1-CE1 3.49Å; H1495-H1498 AromaticContact ND1-NE2 2.89Å; H1495-H1498 PolarHBondContact ND1-NE2 3.41Å; H1495-H1498 WeakPolarHBondContact O-CB 3.25Å; H1495-H1498 PolarHBondContact O-CD2 3.37Å; H1495-H1498 PolarHBondContact O-N 3.4Å |
| 1496 | A | 83 | Confident | 74.9 | Confident | 40 Ų | 40 | 37 Ų | 37 | 33% | 0.331 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -61.9 | -31.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1483 Y1485 H1498 | V1483-A1496 HydrophobicContact CB-CB 4.04Å; V1483-A1496 HydrophobicContact CG1-CB 4.03Å; V1483-A1496 WeakPolarHBondContact O-CB 3.32Å; V1483-A1496 PolarHBondContact O-N 3.25Å; Y1485-A1496 HydrophobicContact CD2-CB 4.31Å; Y1485-A1496 HydrophobicContact CE2-CB 3.76Å; A1496-H1498 PolarHBondContact O-N 3.48Å; A1496-H1498 VanDerWaalsContact O-N 3.08Å |
| 1497 | C | 79.3 | Confident | 73.9 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -67.2 | -0.9 | 172.6 | 52.6 | 0 | 0 | 0 | 0 | 114 | R637 H1495 | R637-C1497 PolarHBondContact NH2-O 3.3Å; H1495-C1497 VanDerWaalsContact C-N 3.26Å; H1495-C1497 PolarHBondContact O-N 2.77Å |
| 1498 | H | 80.6 | Confident | 73.1 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.028 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -84.9 | -22.9 | -175.9 | -62 | -151.6 | 0 | 0 | 0 | 113.6 | R637 C1468 C1471 L1494 H1495 A1496 | R637-H1498 WeakPolarHBondContact CD-NE2 3.44Å; R637-H1498 VanDerWaalsContact CZ-NE2 3.28Å; R637-H1498 PolarHBondContact NE-CD2 3.4Å; R637-H1498 PolarHBondContact NE-CE1 2.88Å; R637-H1498 PolarHBondContact NE-NE2 3.31Å; R637-H1498 PolarHBondContact NH1-CD2 2.97Å; R637-H1498 PolarHBondContact NH1-CE1 2.86Å; R637-H1498 VanDerWaalsContact NH1-CE1 3.25Å; R637-H1498 PolarHBondContact NH1-ND1 3.33Å; R637-H1498 PolarHBondContact NH1-NE2 2.83Å; C1468-H1498 PolarHBondContact SG-CE1 3.05Å; C1468-H1498 PolarHBondContact SG-ND1 3.42Å; C1471-H1498 PolarHBondContact SG-CE1 2.91Å; L1494-H1498 HydrophobicContact CB-CB 3.97Å; L1494-H1498 HydrophobicContact CD2-CB 4.44Å; H1495-H1498 VanDerWaalsContact CB-CD2 3.44Å; H1495-H1498 WeakPolarHBondContact CB-CD2 3.37Å; H1495-H1498 VanDerWaalsContact CB-NE2 3.31Å; H1495-H1498 WeakPolarHBondContact CB-NE2 3.39Å; H1495-H1498 AromaticContact CE1-CD2 3.2Å; H1495-H1498 PolarHBondContact CE1-CD2 3.25Å; H1495-H1498 AromaticContact CE1-CE1 2.3Å; H1495-H1498 PolarHBondContact CE1-CE1 3.38Å; H1495-H1498 AromaticContact CE1-CG 3.93Å; H1495-H1498 AromaticContact CE1-ND1 3.48Å; H1495-H1498 PolarHBondContact CE1-ND1 3.19Å; H1495-H1498 AromaticContact CE1-NE2 1.99Å; H1495-H1498 PolarHBondContact CE1-NE2 3.32Å; H1495-H1498 AromaticContact CG-NE2 3.46Å; H1495-H1498 PolarHBondContact N-CD2 2.88Å; H1495-H1498 PolarHBondContact N-CE1 3.23Å; H1495-H1498 VanDerWaalsContact N-CE1 3.29Å; H1495-H1498 VanDerWaalsContact N-CG 3.31Å; H1495-H1498 PolarHBondContact N-ND1 3.45Å; H1495-H1498 PolarHBondContact N-NE2 2.73Å; H1495-H1498 AromaticContact ND1-CD2 3.94Å; H1495-H1498 AromaticContact ND1-CE1 3.21Å; H1495-H1498 PolarHBondContact ND1-CE1 3.49Å; H1495-H1498 AromaticContact ND1-NE2 2.89Å; H1495-H1498 PolarHBondContact ND1-NE2 3.41Å; H1495-H1498 WeakPolarHBondContact O-CB 3.25Å; H1495-H1498 PolarHBondContact O-CD2 3.37Å; H1495-H1498 PolarHBondContact O-N 3.4Å; A1496-H1498 PolarHBondContact O-N 3.48Å; A1496-H1498 VanDerWaalsContact O-N 3.08Å |
| 1499 | L | 74.5 | Confident | 72.7 | Confident | 55 Ų | 55 | 41.9 Ų | 41.9 | 29% | 0.288 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -3.7 | -173.3 | -68.5 | 160.7 | 0 | 0 | 0 | 113.2 | I1450 A1452 L1457 Y1485 L1494 L1506 | I1450-L1499 HydrophobicContact CG2-CD1 4.48Å; A1452-L1499 HydrophobicContact CB-CD2 3.85Å; L1457-L1499 HydrophobicContact CD1-CD1 3.96Å; L1457-L1499 HydrophobicContact CD1-CD2 3.44Å; L1457-L1499 VanDerWaalsContact CD1-CD2 3.44Å; L1457-L1499 HydrophobicContact CD1-CG 4.33Å; Y1485-L1499 HydrophobicContact CD1-CD1 4.46Å; Y1485-L1499 HydrophobicContact CD2-CD1 3.56Å; Y1485-L1499 HydrophobicContact CE2-CD1 3.93Å; Y1485-L1499 HydrophobicContact CG-CD1 3.87Å; L1494-L1499 HydrophobicContact CD1-CD2 3.99Å; L1494-L1499 HydrophobicContact CD1-CG 4.27Å; L1499-L1506 HydrophobicContact CD2-CD2 4.08Å |
| 1500 | G | 62 | Low | 72.4 | Confident | 68 Ų | 68 | 42.3 Ų | 42.3 | 70% | 0.701 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -18.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1501 | N | 58.2 | Low | 71.5 | Confident | 77 Ų | 77 | 41.9 Ų | 41.9 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | trans | -101.4 | 109.7 | -172.5 | -88.3 | 55.2 | 0 | 0 | 0 | 112.9 | D1503 Y1504 | N1501-D1503 HydrophobicContact CB-CB 4.24Å; N1501-D1503 PolarHBondContact ND2-OD2 3.23Å; N1501-D1503 PolarHBondContact O-N 3.25Å; N1501-D1503 VanDerWaalsContact O-N 3.12Å; N1501-Y1504 HydrophobicContact CB-CD2 4.46Å; N1501-Y1504 PolarHBondContact O-N 2.88Å | ||
| 1502 | N | 59.1 | Low | 70.3 | Confident | 153 Ų | 153 | 39.5 Ų | 39.5 | 82% | 0.818 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21.5 | 173 | -80.3 | -32.4 | 0 | 0 | 0 | 114.4 | Y1504 | N1502-Y1504 PolarHBondContact O-N 3.11Š|
| 1503 | D | 59.6 | Low | 69 | Low | 44 Ų | 44 | 39.2 Ų | 39.2 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | -29.5 | 171.1 | -74.3 | -45.5 | 0 | 0 | 0 | 114.5 | L629 N633 N1501 P1505 | L629-D1503 WeakPolarHBondContact CG-O 3.44Å; N633-D1503 WeakPolarHBondContact CB-O 3.5Å; N633-D1503 WeakPolarHBondContact ND2-CA 3.36Å; N633-D1503 VanDerWaalsContact ND2-CB 3.28Å; N633-D1503 WeakPolarHBondContact ND2-CB 3.33Å; N633-D1503 PolarHBondContact ND2-O 2.95Å; N1501-D1503 HydrophobicContact CB-CB 4.24Å; N1501-D1503 PolarHBondContact ND2-OD2 3.23Å; N1501-D1503 PolarHBondContact O-N 3.25Å; N1501-D1503 VanDerWaalsContact O-N 3.12Å; D1503-P1505 WeakPolarHBondContact O-CD 3.49Å |
| 1504 | Y | 64.6 | Low | 67.3 | Low | 6 Ų | 6 | 39 Ų | 39 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -126.4 | 87.2 | -177.2 | -53.3 | -118.6 | 0 | 0 | 0 | 106.6 | N633 Y636 R637 L1470 C1471 N1501 N1502 L1506 | N633-Y1504 VanDerWaalsContact C-CZ 3.45Å; N633-Y1504 HydrophobicContact CB-CD1 3.6Å; N633-Y1504 HydrophobicContact CB-CD2 3.94Å; N633-Y1504 HydrophobicContact CB-CE1 3.47Å; N633-Y1504 VanDerWaalsContact CB-CE1 3.47Å; N633-Y1504 HydrophobicContact CB-CE2 3.65Å; N633-Y1504 HydrophobicContact CB-CG 3.86Å; N633-Y1504 WeakPolarHBondContact O-CE1 3.29Å; N633-Y1504 PolarHBondContact O-OH 3.49Å; N633-Y1504 WeakPolarHBondContact OD1-CE2 3.44Å; N633-Y1504 PolarHBondContact OD1-OH 3.29Å; Y636-Y1504 WeakPolarHBondContact CD1-OH 3.45Å; R637-Y1504 HydrophobicContact CB-CE1 3.98Å; R637-Y1504 WeakPolarHBondContact CB-OH 3.36Å; R637-Y1504 WeakPolarHBondContact CD-OH 3.44Å; R637-Y1504 HydrophobicContact CG-CE1 4.26Å; R637-Y1504 HydrophobicContact CG-CE2 4.47Å; R637-Y1504 WeakPolarHBondContact CG-OH 3.5Å; R637-Y1504 PolarHBondContact N-OH 2.84Å; R637-Y1504 PolarHBondContact NE-OH 3.25Å; R637-Y1504 VanDerWaalsContact NH1-CB 3.28Å; R637-Y1504 VanDerWaalsContact NH1-CD2 3.3Å; R637-Y1504 VanDerWaalsContact NH1-CE1 3.26Å; L1470-Y1504 WeakPolarHBondContact O-CD1 3.22Å; C1471-Y1504 HydrophobicContact CB-CE1 4.04Å; N1501-Y1504 HydrophobicContact CB-CD2 4.46Å; N1501-Y1504 PolarHBondContact O-N 2.88Å; N1502-Y1504 PolarHBondContact O-N 3.11Å; Y1504-L1506 PolarHBondContact O-N 2.66Å |
| 1505 | P | 62.8 | Low | 65.6 | Low | 24 Ų | 24 | 40 Ų | 40 | 16% | 0.156 | 25% | 0.253 | C | S | . | . | trans | -53.8 | 104.2 | 173.3 | -8.6 | 10.1 | 0 | 0 | 0 | 109.1 | T626 L629 E630 D1503 P1507 | T626-P1505 HydrophobicContact CG2-CB 3.92Å; T626-P1505 HydrophobicContact CG2-CG 3.56Å; L629-P1505 HydrophobicContact CD2-CG 4.42Å; E630-P1505 VanDerWaalsContact CD-O 3.22Å; E630-P1505 HydrophobicContact CG-CB 4.19Å; E630-P1505 HydrophobicContact CG-CG 3.82Å; E630-P1505 WeakPolarHBondContact OE1-CB 3.35Å; E630-P1505 VanDerWaalsContact OE1-O 3.1Å; D1503-P1505 WeakPolarHBondContact O-CD 3.49Å; P1505-P1507 VanDerWaalsContact O-CD 3.27Å; P1505-P1507 WeakPolarHBondContact O-CD 3.48Å; P1505-P1507 VanDerWaalsContact O-N 3.14Å | ||
| 1506 | L | 72.2 | Confident | 63.8 | Low | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 120.1 | 166.7 | 177.4 | 63.6 | 0 | 0 | 0 | 106.4 | A1452 K1453 L1470 I1492 L1494 L1499 Y1504 | A1452-L1506 HydrophobicContact CB-CD2 3.92Å; K1453-L1506 HydrophobicContact CB-CD2 4.32Å; K1453-L1506 HydrophobicContact CD-CB 4.08Å; K1453-L1506 HydrophobicContact CD-CG 4.44Å; K1453-L1506 WeakPolarHBondContact CD-O 3.21Å; K1453-L1506 WeakPolarHBondContact CE-O 3.39Å; K1453-L1506 PolarHBondContact NZ-O 3.32Å; L1470-L1506 HydrophobicContact CD1-CB 4.11Å; L1470-L1506 HydrophobicContact CD1-CD1 4.05Å; I1492-L1506 HydrophobicContact CD1-CD1 4.01Å; I1492-L1506 HydrophobicContact CG2-CD1 4.23Å; L1494-L1506 HydrophobicContact CD1-CD1 3.91Å; L1494-L1506 HydrophobicContact CD2-CD1 4.23Å; L1499-L1506 HydrophobicContact CD2-CD2 4.08Å; Y1504-L1506 PolarHBondContact O-N 2.66Å |
| 1507 | P | 67.4 | Low | 62.3 | Low | 55 Ų | 55 | 42.2 Ų | 42.2 | 36% | 0.357 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 157.5 | 175.9 | 23.6 | -33.9 | 0 | 0 | 0 | 109.4 | H1455 I1492 P1505 C1509 | H1455-P1507 PolarHBondContact NE2-O 2.87Å; I1492-P1507 HydrophobicContact CD1-CG 4.24Å; P1505-P1507 VanDerWaalsContact O-CD 3.27Å; P1505-P1507 WeakPolarHBondContact O-CD 3.48Å; P1505-P1507 VanDerWaalsContact O-N 3.14Å; P1507-C1509 PolarHBondContact O-N 3.46Å |
| 1508 | Q | 67.7 | Low | 60.9 | Low | 101 Ų | 101 | 42.2 Ų | 42.2 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 133 | 171.2 | -161.9 | 80.5 | -6.3 | 0 | 0 | 108.4 | A1510 V1513 | Q1508-A1510 PolarHBondContact O-N 3.4Å; Q1508-A1510 VanDerWaalsContact O-N 3.1Å; Q1508-V1513 HydrophobicContact CB-CG2 4.07Å; Q1508-V1513 HydrophobicContact CG-CG2 3.66Å |
| 1509 | C | 70.1 | Confident | 59.3 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -57 | 118.7 | -175.9 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | K1453 G1454 H1455 P1507 K1511 A1512 V1513 | K1453-C1509 PolarHBondContact O-N 3.43Å; G1454-C1509 WeakPolarHBondContact O-CB 3.27Å; G1454-C1509 PolarHBondContact O-SG 3.32Å; H1455-C1509 HydrophobicContact CB-CB 4.41Å; H1455-C1509 VanDerWaalsContact CE1-CA 3.49Å; H1455-C1509 WeakPolarHBondContact CE1-CA 3.47Å; H1455-C1509 WeakPolarHBondContact NE2-CA 3.49Å; H1455-C1509 PolarHBondContact NE2-N 3.33Å; P1507-C1509 PolarHBondContact O-N 3.46Å; C1509-K1511 PolarHBondContact O-N 3.28Å; C1509-A1512 HydrophobicContact CB-CB 3.86Å; C1509-A1512 PolarHBondContact O-N 3.27Å; C1509-V1513 WeakPolarHBondContact O-CG2 3.4Å; C1509-V1513 PolarHBondContact O-N 3.34Å |
| 1510 | A | 60.8 | Low | 58.6 | Low | 50 Ų | 50 | 47 Ų | 47 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.8 | -34.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1508 G1514 | Q1508-A1510 PolarHBondContact O-N 3.4Å; Q1508-A1510 VanDerWaalsContact O-N 3.1Å; A1510-G1514 PolarHBondContact O-N 2.93Å |
| 1511 | K | 57.2 | Low | 58.1 | Low | 21 Ų | 21 | 48.9 Ų | 48.9 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61 | -52.7 | 170.2 | -62.3 | -139.7 | -179.8 | 148.1 | 0 | 111.4 | S1379 S1380 T1488 D1489 C1490 C1509 V1513 G1514 V1515 | S1379-K1511 VanDerWaalsContact C-CD 3.48Å; S1379-K1511 WeakPolarHBondContact O-CA 3.35Å; S1379-K1511 VanDerWaalsContact O-CD 3.27Å; S1379-K1511 WeakPolarHBondContact O-CD 3.36Å; S1379-K1511 WeakPolarHBondContact O-CG 3.13Å; S1380-K1511 WeakPolarHBondContact O-CD 3.38Å; S1380-K1511 WeakPolarHBondContact O-CE 3.3Å; S1380-K1511 WeakPolarHBondContact O-CG 3.19Å; T1488-K1511 PolarHBondContact O-NZ 3.43Å; D1489-K1511 VanDerWaalsContact C-CD 3.45Å; D1489-K1511 VanDerWaalsContact C-CE 3.41Å; D1489-K1511 HydrophobicContact CB-CB 3.86Å; D1489-K1511 HydrophobicContact CB-CD 3.92Å; D1489-K1511 HydrophobicContact CB-CG 3.96Å; D1489-K1511 WeakPolarHBondContact O-CE 3.38Å; D1489-K1511 PolarHBondContact O-NZ 3.04Å; D1489-K1511 WeakPolarHBondContact OD1-CB 3.23Å; D1489-K1511 VanDerWaalsContact OD1-CD 3.3Å; D1489-K1511 WeakPolarHBondContact OD1-CD 3.43Å; C1490-K1511 HydrophobicContact CB-CG 3.9Å; C1509-K1511 PolarHBondContact O-N 3.28Å; K1511-V1513 VanDerWaalsContact C-N 3.3Å; K1511-V1513 PolarHBondContact O-N 3.27Å; K1511-G1514 CarbonylContact O-C 3.1Å; K1511-G1514 WeakPolarHBondContact O-CA 3.38Å; K1511-G1514 PolarHBondContact O-N 3.4Å; K1511-G1514 VanDerWaalsContact O-N 3.08Å; K1511-V1515 VanDerWaalsContact O-CG2 3.32Å; K1511-V1515 WeakPolarHBondContact O-CG2 3.33Å; K1511-V1515 PolarHBondContact O-N 3.2Å |
| 1512 | A | 57.3 | Low | 58.5 | Low | 20 Ų | 20 | 48 Ų | 48 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -37.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | G1454 C1509 V1515 C1516 | G1454-A1512 WeakPolarHBondContact O-CB 3.31Å; C1509-A1512 HydrophobicContact CB-CB 3.86Å; C1509-A1512 PolarHBondContact O-N 3.27Å; A1512-V1515 PolarHBondContact O-N 3.01Å; A1512-C1516 WeakPolarHBondContact O-CB 3.5Å; A1512-C1516 PolarHBondContact O-N 2.84Å; A1512-C1516 PolarHBondContact O-SG 3.11Å |
| 1513 | V | 52.7 | Low | 58.8 | Low | 10 Ų | 10 | 45.5 Ų | 45.5 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 171.1 | 167.2 | 0 | 0 | 0 | 0 | 110.9 | Q1508 C1509 K1511 C1516 L1517 W1529 L1533 | Q1508-V1513 HydrophobicContact CB-CG2 4.07Å; Q1508-V1513 HydrophobicContact CG-CG2 3.66Å; C1509-V1513 WeakPolarHBondContact O-CG2 3.4Å; C1509-V1513 PolarHBondContact O-N 3.34Å; K1511-V1513 VanDerWaalsContact C-N 3.3Å; K1511-V1513 PolarHBondContact O-N 3.27Å; V1513-C1516 PolarHBondContact O-N 3.24Å; V1513-L1517 WeakPolarHBondContact O-CB 3.28Å; V1513-L1517 PolarHBondContact O-N 3.49Å; V1513-W1529 HydrophobicContact CB-CZ3 4.27Å; V1513-W1529 HydrophobicContact CG1-CE3 4.37Å; V1513-W1529 HydrophobicContact CG1-CZ3 4.01Å; V1513-W1529 HydrophobicContact CG2-CZ3 4.29Å; V1513-L1533 HydrophobicContact CG1-CD1 3.56Å |
| 1514 | G | 50.8 | Low | 58.8 | Low | 16 Ų | 16 | 49.1 Ų | 49.1 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1510 K1511 C1516 L1517 L1518 | A1510-G1514 PolarHBondContact O-N 2.93Å; K1511-G1514 CarbonylContact O-C 3.1Å; K1511-G1514 WeakPolarHBondContact O-CA 3.38Å; K1511-G1514 PolarHBondContact O-N 3.4Å; K1511-G1514 VanDerWaalsContact O-N 3.08Å; G1514-C1516 PolarHBondContact O-N 2.82Å; G1514-L1517 PolarHBondContact O-N 3.42Å; G1514-L1518 VanDerWaalsContact O-CB 3.32Å; G1514-L1518 WeakPolarHBondContact O-CB 3.45Å; G1514-L1518 WeakPolarHBondContact O-CD1 3.33Å; G1514-L1518 WeakPolarHBondContact O-CG 3.44Å; G1514-L1518 PolarHBondContact O-N 3.22Å |
| 1515 | V | 50.3 | Low | 58.5 | Low | 21 Ų | 21 | 51.4 Ų | 51.4 | 13% | 0.127 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 178.6 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | R1377 K1511 A1512 L1518 R1519 | R1377-V1515 WeakPolarHBondContact O-CG1 3.15Å; R1377-V1515 WeakPolarHBondContact O-CG2 3.42Å; K1511-V1515 VanDerWaalsContact O-CG2 3.32Å; K1511-V1515 WeakPolarHBondContact O-CG2 3.33Å; K1511-V1515 PolarHBondContact O-N 3.2Å; A1512-V1515 PolarHBondContact O-N 3.01Å; V1515-L1518 CarbonylContact O-C 2.71Å; V1515-L1518 PolarHBondContact O-N 3.17Å; V1515-R1519 WeakPolarHBondContact O-CB 3.48Å; V1515-R1519 WeakPolarHBondContact O-CG 3.28Å; V1515-R1519 PolarHBondContact O-N 2.73Å |
| 1516 | C | 49.4 | Very low | 58.4 | Low | 55 Ų | 55 | 55.1 Ų | 55.1 | 37% | 0.372 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68 | -42.5 | 174.8 | -71.3 | 0 | 0 | 0 | 0 | 112 | A1512 V1513 G1514 L1518 R1519 A1520 W1529 | A1512-C1516 WeakPolarHBondContact O-CB 3.5Å; A1512-C1516 PolarHBondContact O-N 2.84Å; A1512-C1516 PolarHBondContact O-SG 3.11Å; V1513-C1516 PolarHBondContact O-N 3.24Å; G1514-C1516 PolarHBondContact O-N 2.82Å; C1516-L1518 PolarHBondContact O-N 2.68Å; C1516-R1519 CarbonylContact O-C 3.26Å; C1516-R1519 PolarHBondContact O-N 3.04Å; C1516-R1519 VanDerWaalsContact O-N 3.09Å; C1516-A1520 PolarHBondContact O-N 3.37Å; C1516-W1529 HydrophobicContact CB-CD2 4.2Å; C1516-W1529 HydrophobicContact CB-CE3 4.28Å; C1516-W1529 HydrophobicContact CB-CH2 3.47Å; C1516-W1529 VanDerWaalsContact CB-CH2 3.47Å; C1516-W1529 HydrophobicContact CB-CZ2 3.34Å; C1516-W1529 HydrophobicContact CB-CZ3 3.94Å |
| 1517 | L | 51.3 | Low | 57.9 | Low | 35 Ų | 35 | 59.7 Ų | 59.7 | 18% | 0.183 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61 | -35 | 172.8 | -171.9 | 153.6 | 0 | 0 | 0 | 111.8 | V1513 G1514 A1520 W1529 M1530 L1533 | V1513-L1517 WeakPolarHBondContact O-CB 3.28Å; V1513-L1517 PolarHBondContact O-N 3.49Å; G1514-L1517 PolarHBondContact O-N 3.42Å; L1517-A1520 WeakPolarHBondContact O-CB 3.41Å; L1517-W1529 HydrophobicContact CB-CB 3.94Å; L1517-W1529 HydrophobicContact CB-CE3 4.42Å; L1517-W1529 HydrophobicContact CB-CG 4.33Å; L1517-W1529 HydrophobicContact CD1-CB 3.99Å; L1517-W1529 HydrophobicContact CG-CB 3.82Å; L1517-M1530 HydrophobicContact CD1-CG 4.4Å; L1517-L1533 HydrophobicContact CD1-CB 3.83Å; L1517-L1533 HydrophobicContact CD1-CD1 4.13Å; L1517-L1533 HydrophobicContact CD1-CD2 3.89Å; L1517-L1533 HydrophobicContact CD1-CG 4.16Å |
| 1518 | L | 51.2 | Low | 57.5 | Low | 57 Ų | 57 | 63.5 Ų | 63.5 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -77.2 | -18.1 | 175.7 | -72.2 | 166 | 0 | 0 | 0 | 114.1 | V298 R1377 G1514 V1515 C1516 | V298-L1518 HydrophobicContact CG1-CD1 3.8Å; V298-L1518 HydrophobicContact CG1-CD2 4.35Å; R1377-L1518 HydrophobicContact CB-CB 4.41Å; R1377-L1518 HydrophobicContact CB-CD1 4.01Å; R1377-L1518 HydrophobicContact CG-CD1 4.48Å; G1514-L1518 VanDerWaalsContact O-CB 3.32Å; G1514-L1518 WeakPolarHBondContact O-CB 3.45Å; G1514-L1518 WeakPolarHBondContact O-CD1 3.33Å; G1514-L1518 WeakPolarHBondContact O-CG 3.44Å; G1514-L1518 PolarHBondContact O-N 3.22Å; V1515-L1518 CarbonylContact O-C 2.71Å; V1515-L1518 PolarHBondContact O-N 3.17Å; C1516-L1518 PolarHBondContact O-N 2.68Å |
| 1519 | R | 47 | Very low | 57 | Low | 150 Ų | 150 | 62.2 Ų | 62.2 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -102.2 | -4.4 | 175.4 | -77.4 | -177.9 | 149.4 | 151.2 | -6.2 | 114.3 | Q1375 V1515 C1516 S1521 | Q1375-R1519 PolarHBondContact O-NH2 3.38Å; V1515-R1519 WeakPolarHBondContact O-CB 3.48Å; V1515-R1519 WeakPolarHBondContact O-CG 3.28Å; V1515-R1519 PolarHBondContact O-N 2.73Å; C1516-R1519 CarbonylContact O-C 3.26Å; C1516-R1519 PolarHBondContact O-N 3.04Å; C1516-R1519 VanDerWaalsContact O-N 3.09Å; R1519-S1521 PolarHBondContact O-N 2.93Å |
| 1520 | A | 58.8 | Low | 56.5 | Low | 12 Ų | 12 | 67.1 Ų | 67.1 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | trans | -52.6 | 121.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | C1516 L1517 D1525 K1526 | C1516-A1520 PolarHBondContact O-N 3.37Å; L1517-A1520 WeakPolarHBondContact O-CB 3.41Å; A1520-D1525 HydrophobicContact CB-CB 3.64Å; A1520-K1526 HydrophobicContact CB-CB 4.43Å; A1520-K1526 HydrophobicContact CB-CG 3.52Å; A1520-K1526 WeakPolarHBondContact O-CE 3.33Å | ||
| 1521 | S | 51.4 | Low | 56.5 | Low | 106 Ų | 106 | 70.9 Ų | 70.9 | 74% | 0.741 | 37% | 0.365 | S | S | * | . | trans | -84.1 | -32.7 | -163.9 | 73.9 | 0 | 0 | 0 | 0 | 113.7 | R1519 D1525 | R1519-S1521 PolarHBondContact O-N 2.93Å; S1521-D1525 PolarHBondContact N-OD2 3.37Å; S1521-D1525 PolarHBondContact OG-OD2 3.42Å | ||
| 1522 | T | 67.1 | Low | 56.3 | Low | 59 Ų | 59 | 75.4 Ų | 75.4 | 36% | 0.362 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -111.3 | 166.4 | 180 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | Q1524 D1525 K1526 | T1522-Q1524 PolarHBondContact O-N 3.08Å; T1522-Q1524 PolarHBondContact OG1-N 2.85Å; T1522-D1525 PolarHBondContact N-OD2 2.72Å; T1522-D1525 PolarHBondContact O-N 2.85Å; T1522-D1525 PolarHBondContact OG1-N 3.25Å; T1522-D1525 PolarHBondContact OG1-OD1 3.42Å; T1522-D1525 PolarHBondContact OG1-OD2 3.47Å; T1522-K1526 WeakPolarHBondContact O-CG 3.45Å; T1522-K1526 PolarHBondContact O-N 3.27Å; T1522-K1526 VanDerWaalsContact O-N 3.12Å |
| 1523 | V | 65.4 | Low | 56.1 | Low | 100 Ų | 100 | 76.8 Ų | 76.8 | 61% | 0.606 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.4 | -36.8 | 170.3 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | K1526 E1527 | V1523-K1526 CarbonylContact O-C 3.58Å; V1523-K1526 WeakPolarHBondContact O-CB 3.37Å; V1523-K1526 PolarHBondContact O-N 2.99Å; V1523-K1526 VanDerWaalsContact O-N 3.16Å; V1523-E1527 HydrophobicContact CG1-CG 4.24Å; V1523-E1527 WeakPolarHBondContact O-CB 3.4Å; V1523-E1527 VanDerWaalsContact O-CG 3.3Å; V1523-E1527 WeakPolarHBondContact O-CG 3.4Å; V1523-E1527 PolarHBondContact O-N 3.2Å |
| 1524 | Q | 58.8 | Low | 56.5 | Low | 121 Ų | 121 | 80.8 Ų | 80.8 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -71.9 | -35.3 | -179.5 | -67.5 | 166.5 | -63.3 | 0 | 0 | 112.4 | T1522 K1526 E1527 Q1528 | T1522-Q1524 PolarHBondContact O-N 3.08Å; T1522-Q1524 PolarHBondContact OG1-N 2.85Å; Q1524-K1526 VanDerWaalsContact C-N 3.31Å; Q1524-E1527 PolarHBondContact O-N 3.21Å; Q1524-Q1528 WeakPolarHBondContact O-CB 3.37Å; Q1524-Q1528 WeakPolarHBondContact O-CG 3.2Å; Q1524-Q1528 PolarHBondContact O-N 3.32Å |
| 1525 | D | 58.9 | Low | 56.9 | Low | 54 Ų | 54 | 84 Ų | 84 | 29% | 0.289 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 168.2 | -59.4 | -37.3 | 0 | 0 | 0 | 110 | A1520 S1521 T1522 Q1528 W1529 | A1520-D1525 HydrophobicContact CB-CB 3.64Å; S1521-D1525 PolarHBondContact N-OD2 3.37Å; S1521-D1525 PolarHBondContact OG-OD2 3.42Å; T1522-D1525 PolarHBondContact N-OD2 2.72Å; T1522-D1525 PolarHBondContact O-N 2.85Å; T1522-D1525 PolarHBondContact OG1-N 3.25Å; T1522-D1525 PolarHBondContact OG1-OD1 3.42Å; T1522-D1525 PolarHBondContact OG1-OD2 3.47Å; D1525-Q1528 PolarHBondContact O-N 3.02Å; D1525-W1529 WeakPolarHBondContact O-CB 3.41Å; D1525-W1529 VanDerWaalsContact O-CD1 3.24Å; D1525-W1529 PolarHBondContact O-N 3.41Å |
| 1526 | K | 59.8 | Low | 56.7 | Low | 101 Ų | 101 | 85 Ų | 85 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.3 | -36.8 | 179.1 | -71.7 | 175.9 | -173.2 | -178.3 | 0 | 112.3 | A1520 T1522 V1523 Q1524 M1530 | A1520-K1526 HydrophobicContact CB-CB 4.43Å; A1520-K1526 HydrophobicContact CB-CG 3.52Å; A1520-K1526 WeakPolarHBondContact O-CE 3.33Å; T1522-K1526 WeakPolarHBondContact O-CG 3.45Å; T1522-K1526 PolarHBondContact O-N 3.27Å; T1522-K1526 VanDerWaalsContact O-N 3.12Å; V1523-K1526 CarbonylContact O-C 3.58Å; V1523-K1526 WeakPolarHBondContact O-CB 3.37Å; V1523-K1526 PolarHBondContact O-N 2.99Å; V1523-K1526 VanDerWaalsContact O-N 3.16Å; Q1524-K1526 VanDerWaalsContact C-N 3.31Å; K1526-M1530 WeakPolarHBondContact O-CB 3.19Å; K1526-M1530 WeakPolarHBondContact O-CG 3.43Å; K1526-M1530 PolarHBondContact O-N 2.85Å |
| 1527 | E | 63.6 | Low | 56.8 | Low | 110 Ų | 110 | 86.6 Ų | 86.6 | 51% | 0.514 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.9 | -45.2 | 175.2 | -74.8 | 167.9 | 158.1 | 0 | 0 | 111 | V1523 Q1524 M1530 E1531 | V1523-E1527 HydrophobicContact CG1-CG 4.24Å; V1523-E1527 WeakPolarHBondContact O-CB 3.4Å; V1523-E1527 VanDerWaalsContact O-CG 3.3Å; V1523-E1527 WeakPolarHBondContact O-CG 3.4Å; V1523-E1527 PolarHBondContact O-N 3.2Å; Q1524-E1527 PolarHBondContact O-N 3.21Å; E1527-M1530 CarbonylContact O-C 3.05Å; E1527-M1530 PolarHBondContact O-N 3.32Å; E1527-E1531 VanDerWaalsContact O-CB 3.28Å; E1527-E1531 WeakPolarHBondContact O-CB 3.46Å; E1527-E1531 PolarHBondContact O-N 3.01Å |
| 1528 | Q | 58.7 | Low | 57 | Low | 135 Ų | 135 | 91.6 Ų | 91.6 | 63% | 0.631 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 174 | -74.9 | -173.3 | -10.3 | 0 | 0 | 112.5 | Q1524 D1525 E1531 Y1532 | Q1524-Q1528 WeakPolarHBondContact O-CB 3.37Å; Q1524-Q1528 WeakPolarHBondContact O-CG 3.2Å; Q1524-Q1528 PolarHBondContact O-N 3.32Å; D1525-Q1528 PolarHBondContact O-N 3.02Å; Q1528-E1531 PolarHBondContact O-N 3.33Å; Q1528-Y1532 WeakPolarHBondContact O-CB 3.5Å; Q1528-Y1532 PolarHBondContact O-N 3.39Å |
| 1529 | W | 56.8 | Low | 56.8 | Low | 73 Ų | 73 | 90.8 Ų | 90.8 | 28% | 0.277 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.4 | -35.8 | 173.9 | -85.4 | 100.1 | 0 | 0 | 0 | 111.9 | V1513 C1516 L1517 D1525 Y1532 L1533 | V1513-W1529 HydrophobicContact CB-CZ3 4.27Å; V1513-W1529 HydrophobicContact CG1-CE3 4.37Å; V1513-W1529 HydrophobicContact CG1-CZ3 4.01Å; V1513-W1529 HydrophobicContact CG2-CZ3 4.29Å; C1516-W1529 HydrophobicContact CB-CD2 4.2Å; C1516-W1529 HydrophobicContact CB-CE3 4.28Å; C1516-W1529 HydrophobicContact CB-CH2 3.47Å; C1516-W1529 VanDerWaalsContact CB-CH2 3.47Å; C1516-W1529 HydrophobicContact CB-CZ2 3.34Å; C1516-W1529 HydrophobicContact CB-CZ3 3.94Å; L1517-W1529 HydrophobicContact CB-CB 3.94Å; L1517-W1529 HydrophobicContact CB-CE3 4.42Å; L1517-W1529 HydrophobicContact CB-CG 4.33Å; L1517-W1529 HydrophobicContact CD1-CB 3.99Å; L1517-W1529 HydrophobicContact CG-CB 3.82Å; D1525-W1529 WeakPolarHBondContact O-CB 3.41Å; D1525-W1529 VanDerWaalsContact O-CD1 3.24Å; D1525-W1529 PolarHBondContact O-N 3.41Å; W1529-Y1532 HydrophobicContact CZ3-CD1 4.4Å; W1529-L1533 WeakPolarHBondContact O-CB 3.39Å; W1529-L1533 PolarHBondContact O-N 3.25Å |
| 1530 | M | 60.1 | Low | 56.6 | Low | 103 Ų | 103 | 88.1 Ų | 88.1 | 51% | 0.507 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.8 | -36.7 | 172.2 | -84 | 177.4 | 54.5 | 0 | 0 | 112.2 | L1517 K1526 E1527 L1533 L1534 | L1517-M1530 HydrophobicContact CD1-CG 4.4Å; K1526-M1530 WeakPolarHBondContact O-CB 3.19Å; K1526-M1530 WeakPolarHBondContact O-CG 3.43Å; K1526-M1530 PolarHBondContact O-N 2.85Å; E1527-M1530 CarbonylContact O-C 3.05Å; E1527-M1530 PolarHBondContact O-N 3.32Å; M1530-L1533 CarbonylContact O-C 3.29Å; M1530-L1533 PolarHBondContact O-N 3.09Å; M1530-L1534 WeakPolarHBondContact O-CB 3.3Å; M1530-L1534 WeakPolarHBondContact O-CD1 3.34Å; M1530-L1534 WeakPolarHBondContact O-CG 3.43Å; M1530-L1534 PolarHBondContact O-N 3.34Å |
| 1531 | E | 60.9 | Low | 56 | Low | 129 Ų | 129 | 94.3 Ų | 94.3 | 60% | 0.603 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.6 | -43.4 | 176.2 | -173.5 | 166.8 | -123.9 | 0 | 0 | 110.5 | E1527 Q1528 L1534 L1535 | E1527-E1531 VanDerWaalsContact O-CB 3.28Å; E1527-E1531 WeakPolarHBondContact O-CB 3.46Å; E1527-E1531 PolarHBondContact O-N 3.01Å; Q1528-E1531 PolarHBondContact O-N 3.33Å; E1531-L1534 PolarHBondContact O-N 2.76Å; E1531-L1535 WeakPolarHBondContact O-CD1 3.34Å; E1531-L1535 PolarHBondContact O-N 3.3Å |
| 1532 | Y | 52 | Low | 55.6 | Low | 116 Ų | 116 | 93.1 Ų | 93.1 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 171.3 | -167.1 | -93.2 | 0 | 0 | 0 | 112.4 | Q1528 W1529 L1535 T1536 | Q1528-Y1532 WeakPolarHBondContact O-CB 3.5Å; Q1528-Y1532 PolarHBondContact O-N 3.39Å; W1529-Y1532 HydrophobicContact CZ3-CD1 4.4Å; Y1532-L1535 PolarHBondContact O-N 2.65Å; Y1532-T1536 WeakPolarHBondContact O-CB 3.37Å; Y1532-T1536 PolarHBondContact O-N 3.31Å; Y1532-T1536 PolarHBondContact O-OG1 2.95Å |
| 1533 | L | 53.7 | Low | 54.1 | Low | 50 Ų | 50 | 94.2 Ų | 94.2 | 26% | 0.262 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.4 | -34.9 | 174.3 | -159.4 | 90.1 | 0 | 0 | 0 | 111.1 | V1513 L1517 W1529 M1530 T1536 M1537 | V1513-L1533 HydrophobicContact CG1-CD1 3.56Å; L1517-L1533 HydrophobicContact CD1-CB 3.83Å; L1517-L1533 HydrophobicContact CD1-CD1 4.13Å; L1517-L1533 HydrophobicContact CD1-CD2 3.89Å; L1517-L1533 HydrophobicContact CD1-CG 4.16Å; W1529-L1533 WeakPolarHBondContact O-CB 3.39Å; W1529-L1533 PolarHBondContact O-N 3.25Å; M1530-L1533 CarbonylContact O-C 3.29Å; M1530-L1533 PolarHBondContact O-N 3.09Å; L1533-T1536 CarbonylContact O-C 3.54Å; L1533-T1536 PolarHBondContact O-N 3.23Å; L1533-M1537 HydrophobicContact CD2-SD 3.76Å; L1533-M1537 HydrophobicContact CG-CG 4.28Å; L1533-M1537 HydrophobicContact CG-SD 4.12Å; L1533-M1537 WeakPolarHBondContact O-CA 3.26Å; L1533-M1537 WeakPolarHBondContact O-CB 3.33Å; L1533-M1537 WeakPolarHBondContact O-CG 3.42Å; L1533-M1537 PolarHBondContact O-N 3.09Å |
| 1534 | L | 60.3 | Low | 52.5 | Low | 93 Ų | 93 | 93.9 Ų | 93.9 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.8 | -34.1 | 174.7 | -78.6 | 166.1 | 0 | 0 | 0 | 111.6 | M1530 E1531 K1538 | M1530-L1534 WeakPolarHBondContact O-CB 3.3Å; M1530-L1534 WeakPolarHBondContact O-CD1 3.34Å; M1530-L1534 WeakPolarHBondContact O-CG 3.43Å; M1530-L1534 PolarHBondContact O-N 3.34Å; E1531-L1534 PolarHBondContact O-N 2.76Å; L1534-K1538 WeakPolarHBondContact O-CB 3.46Å; L1534-K1538 WeakPolarHBondContact O-CD 3.42Å; L1534-K1538 WeakPolarHBondContact O-CG 3.42Å; L1534-K1538 PolarHBondContact O-N 3.38Å |
| 1535 | L | 58.7 | Low | 51.2 | Low | 83 Ų | 83 | 92.2 Ų | 92.2 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -55.4 | 164.9 | -102.4 | 71.4 | 0 | 0 | 0 | 109.9 | E1531 Y1532 M1537 K1538 T1539 | E1531-L1535 WeakPolarHBondContact O-CD1 3.34Å; E1531-L1535 PolarHBondContact O-N 3.3Å; Y1532-L1535 PolarHBondContact O-N 2.65Å; L1535-M1537 VanDerWaalsContact C-N 3.29Å; L1535-M1537 PolarHBondContact O-N 3.03Å; L1535-K1538 WeakPolarHBondContact O-CA 3.35Å; L1535-K1538 WeakPolarHBondContact O-CB 3.45Å; L1535-K1538 PolarHBondContact O-N 2.87Å; L1535-T1539 PolarHBondContact O-N 3.21Å; L1535-T1539 PolarHBondContact O-OG1 3.23Å; L1535-T1539 VanDerWaalsContact O-OG1 3.06Å |
| 1536 | T | 47 | Very low | 49.7 | Very low | 43 Ų | 43 | 95.7 Ų | 95.7 | 26% | 0.264 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -37.3 | -177.8 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | Y1532 L1533 T1539 L1540 | Y1532-T1536 WeakPolarHBondContact O-CB 3.37Å; Y1532-T1536 PolarHBondContact O-N 3.31Å; Y1532-T1536 PolarHBondContact O-OG1 2.95Å; L1533-T1536 CarbonylContact O-C 3.54Å; L1533-T1536 PolarHBondContact O-N 3.23Å; T1536-T1539 PolarHBondContact O-N 3.32Å; T1536-L1540 HydrophobicContact CG2-CD1 4.02Å; T1536-L1540 HydrophobicContact CG2-CG 4.5Å; T1536-L1540 WeakPolarHBondContact O-CB 3.32Å; T1536-L1540 VanDerWaalsContact O-CG 3.25Å; T1536-L1540 WeakPolarHBondContact O-CG 3.36Å; T1536-L1540 PolarHBondContact O-N 2.9Å |
| 1537 | M | 52.1 | Low | 48 | Very low | 88 Ų | 88 | 96.5 Ų | 96.5 | 43% | 0.433 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.5 | -26.2 | 174.7 | -73.3 | 178.6 | 79.1 | 0 | 0 | 112.9 | L1533 L1535 K1541 | L1533-M1537 HydrophobicContact CD2-SD 3.76Å; L1533-M1537 HydrophobicContact CG-CG 4.28Å; L1533-M1537 HydrophobicContact CG-SD 4.12Å; L1533-M1537 WeakPolarHBondContact O-CA 3.26Å; L1533-M1537 WeakPolarHBondContact O-CB 3.33Å; L1533-M1537 WeakPolarHBondContact O-CG 3.42Å; L1533-M1537 PolarHBondContact O-N 3.09Å; L1535-M1537 VanDerWaalsContact C-N 3.29Å; L1535-M1537 PolarHBondContact O-N 3.03Å; M1537-K1541 WeakPolarHBondContact O-CB 3.44Å; M1537-K1541 VanDerWaalsContact O-CG 3.22Å; M1537-K1541 WeakPolarHBondContact O-CG 3.31Å; M1537-K1541 PolarHBondContact O-N 3.47Å |
| 1538 | K | 55.6 | Low | 46.1 | Very low | 140 Ų | 140 | 98.5 Ų | 98.5 | 61% | 0.609 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.7 | -46.3 | 166.3 | -76.4 | 163.1 | -175.6 | 175.4 | 0 | 109.7 | L1534 L1535 L1540 K1541 S1542 | L1534-K1538 WeakPolarHBondContact O-CB 3.46Å; L1534-K1538 WeakPolarHBondContact O-CD 3.42Å; L1534-K1538 WeakPolarHBondContact O-CG 3.42Å; L1534-K1538 PolarHBondContact O-N 3.38Å; L1535-K1538 WeakPolarHBondContact O-CA 3.35Å; L1535-K1538 WeakPolarHBondContact O-CB 3.45Å; L1535-K1538 PolarHBondContact O-N 2.87Å; K1538-L1540 PolarHBondContact O-N 3.04Å; K1538-K1541 PolarHBondContact O-N 3.13Å; K1538-S1542 PolarHBondContact O-N 2.87Å; K1538-S1542 PolarHBondContact O-OG 2.94Å; K1538-S1542 VanDerWaalsContact O-OG 3.13Å |
| 1539 | T | 46.8 | Very low | 44.6 | Very low | 41 Ų | 41 | 97.7 Ų | 97.7 | 25% | 0.252 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 175.8 | -47.3 | 0 | 0 | 0 | 0 | 111.8 | I627 L1535 T1536 S1542 L1543 | I627-T1539 HydrophobicContact CD1-CG2 3.96Å; L1535-T1539 PolarHBondContact O-N 3.21Å; L1535-T1539 PolarHBondContact O-OG1 3.23Å; L1535-T1539 VanDerWaalsContact O-OG1 3.06Å; T1536-T1539 PolarHBondContact O-N 3.32Å; T1539-S1542 WeakPolarHBondContact CA-OG 3.39Å; T1539-S1542 PolarHBondContact O-N 3.29Å; T1539-S1542 PolarHBondContact O-OG 2.95Å; T1539-L1543 WeakPolarHBondContact O-CG 3.44Å; T1539-L1543 PolarHBondContact O-N 3.44Å |
| 1540 | L | 42.3 | Very low | 43 | Very low | 94 Ų | 94 | 98.3 Ų | 98.3 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.4 | -33.8 | 175.9 | -71.6 | 167.8 | 0 | 0 | 0 | 112.6 | T1536 K1538 L1543 S1544 | T1536-L1540 HydrophobicContact CG2-CD1 4.02Å; T1536-L1540 HydrophobicContact CG2-CG 4.5Å; T1536-L1540 WeakPolarHBondContact O-CB 3.32Å; T1536-L1540 VanDerWaalsContact O-CG 3.25Å; T1536-L1540 WeakPolarHBondContact O-CG 3.36Å; T1536-L1540 PolarHBondContact O-N 2.9Å; K1538-L1540 PolarHBondContact O-N 3.04Å; L1540-L1543 HydrophobicContact CD2-CD1 4.19Å; L1540-L1543 CarbonylContact O-C 3.58Å; L1540-L1543 WeakPolarHBondContact O-CB 3.47Å; L1540-L1543 PolarHBondContact O-N 3.44Å; L1540-S1544 WeakPolarHBondContact O-CB 3.36Å; L1540-S1544 PolarHBondContact O-N 3.18Å; L1540-S1544 VanDerWaalsContact O-N 3.08Å; L1540-S1544 PolarHBondContact O-OG 3.36Å |
| 1541 | K | 45.6 | Very low | 41.3 | Very low | 141 Ų | 141 | 99 Ų | 99 | 61% | 0.613 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.4 | -36.6 | 172 | -80.3 | -178.7 | 174.9 | -172 | 0 | 112.7 | M1537 K1538 L1543 S1544 S1545 | M1537-K1541 WeakPolarHBondContact O-CB 3.44Å; M1537-K1541 VanDerWaalsContact O-CG 3.22Å; M1537-K1541 WeakPolarHBondContact O-CG 3.31Å; M1537-K1541 PolarHBondContact O-N 3.47Å; K1538-K1541 PolarHBondContact O-N 3.13Å; K1541-L1543 PolarHBondContact O-N 3.28Å; K1541-S1544 PolarHBondContact O-N 3.25Å; K1541-S1544 VanDerWaalsContact O-N 3.12Å; K1541-S1544 PolarHBondContact O-OG 3.01Å; K1541-S1545 WeakPolarHBondContact O-CB 3.45Å; K1541-S1545 PolarHBondContact O-N 3.44Å; K1541-S1545 PolarHBondContact O-OG 3.06Å |
| 1542 | S | 42.8 | Very low | 39.6 | Very low | 81 Ų | 81 | 101.7 Ų | 101.7 | 57% | 0.566 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.3 | -18.2 | 170.3 | 51 | 0 | 0 | 0 | 0 | 113.6 | K1538 T1539 | K1538-S1542 PolarHBondContact O-N 2.87Å; K1538-S1542 PolarHBondContact O-OG 2.94Å; K1538-S1542 VanDerWaalsContact O-OG 3.13Å; T1539-S1542 WeakPolarHBondContact CA-OG 3.39Å; T1539-S1542 PolarHBondContact O-N 3.29Å; T1539-S1542 PolarHBondContact O-OG 2.95Å |
| 1543 | L | 36.4 | Very low | 38.3 | Very low | 82 Ų | 82 | 105.4 Ų | 105.4 | 43% | 0.429 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -85.4 | -17.4 | 170.3 | -78.8 | 162.1 | 0 | 0 | 0 | 113.4 | I627 T1539 L1540 K1541 | I627-L1543 HydrophobicContact CB-CD2 4.5Å; I627-L1543 HydrophobicContact CD1-CD1 3.86Å; I627-L1543 HydrophobicContact CD1-CD2 3.85Å; I627-L1543 HydrophobicContact CD1-CG 3.82Å; I627-L1543 HydrophobicContact CG1-CD1 4.18Å; I627-L1543 HydrophobicContact CG1-CD2 4.05Å; I627-L1543 HydrophobicContact CG1-CG 4.4Å; I627-L1543 HydrophobicContact CG2-CD2 3.63Å; T1539-L1543 WeakPolarHBondContact O-CG 3.44Å; T1539-L1543 PolarHBondContact O-N 3.44Å; L1540-L1543 HydrophobicContact CD2-CD1 4.19Å; L1540-L1543 CarbonylContact O-C 3.58Å; L1540-L1543 WeakPolarHBondContact O-CB 3.47Å; L1540-L1543 PolarHBondContact O-N 3.44Å; K1541-L1543 PolarHBondContact O-N 3.28Å |
| 1544 | S | 32.3 | Very low | 36.9 | Very low | 93 Ų | 93 | 108.3 Ų | 108.3 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -115.6 | 17.1 | -172 | 80.9 | 0 | 0 | 0 | 0 | 114.2 | L1540 K1541 | L1540-S1544 WeakPolarHBondContact O-CB 3.36Å; L1540-S1544 PolarHBondContact O-N 3.18Å; L1540-S1544 VanDerWaalsContact O-N 3.08Å; L1540-S1544 PolarHBondContact O-OG 3.36Å; K1541-S1544 PolarHBondContact O-N 3.25Å; K1541-S1544 VanDerWaalsContact O-N 3.12Å; K1541-S1544 PolarHBondContact O-OG 3.01Å |
| 1545 | S | 31.5 | Very low | 35.2 | Very low | 87 Ų | 87 | 111.4 Ų | 111.4 | 61% | 0.608 | 60% | 0.596 | S | S | * | * | trans | -129.8 | 46.6 | -173.5 | 76.8 | 0 | 0 | 0 | 0 | 114.9 | K1541 | K1541-S1545 WeakPolarHBondContact O-CB 3.45Å; K1541-S1545 PolarHBondContact O-N 3.44Å; K1541-S1545 PolarHBondContact O-OG 3.06Å | ||
| 1546 | T | 27.7 | Very low | 33.7 | Very low | 127 Ų | 127 | 111.8 Ų | 111.8 | 78% | 0.779 | 60% | 0.599 | S | S | * | * | trans | -140.6 | 123.8 | 160.6 | 42.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1547 | P | 23.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 116.5 Ų | 116.5 | 76% | 0.76 | 62% | 0.618 | S | S | * | * | trans | -90.9 | 173.9 | -177.9 | 37.7 | -37 | 0 | 0 | 0 | 113.2 | ||||
| 1548 | N | 24 | Very low | 31.7 | Very low | 153 Ų | 153 | 114.8 Ų | 114.8 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | trans | 32.8 | 110 | 154.5 | -63.9 | -3 | 0 | 0 | 0 | 118.9 | ||||
| 1549 | I | 26 | Very low | 30.3 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 61% | 0.605 | 63% | 0.625 | S | S | * | * | trans | -150.3 | 101.9 | 137.8 | -101 | 146.1 | 0 | 0 | 0 | 108.6 | ||||
| 1550 | T | 23.9 | Very low | 29.7 | Very low | 86 Ų | 86 | 116 Ų | 116 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | trans | -66.6 | 136.1 | 155.9 | 33.5 | 0 | 0 | 0 | 0 | 108.6 | M415 | M415-T1550 HydrophobicContact CE-CG2 3.93Š| ||
| 1551 | T | 23.7 | Very low | 29.1 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 72% | 0.718 | 63% | 0.626 | S | S | * | * | trans | 56.3 | 124.4 | 175.9 | 73.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1552 | R | 25.1 | Very low | 28 | Very low | 185 Ų | 185 | 116.6 Ų | 116.6 | 70% | 0.698 | 64% | 0.636 | S | S | * | * | trans | -151.8 | 107.8 | 148.9 | -115 | 157.4 | -144.7 | -144.8 | 1.9 | 113.7 | ||||
| 1553 | K | 25.4 | Very low | 27.1 | Very low | 194 Ų | 194 | 117.2 Ų | 117.2 | 84% | 0.843 | 64% | 0.641 | S | S | * | * | trans | -54.3 | 158.3 | 146 | -81 | 176.3 | 179.4 | 171.9 | 0 | 109 | ||||
| 1554 | P | 24.4 | Very low | 26.9 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -64.2 | 151.5 | -154.1 | 26.7 | -37.1 | 0 | 0 | 0 | 113.5 | ||||
| 1555 | F | 25.3 | Very low | 26.5 | Very low | 158 Ų | 158 | 122 Ų | 122 | 69% | 0.693 | 66% | 0.661 | S | S | * | * | trans | -108.3 | 83.3 | 163.8 | -144.5 | -88.1 | 0 | 0 | 0 | 110.5 | Q1557 | F1555-Q1557 HydrophobicContact CD1-CB 4.41Å; F1555-Q1557 HydrophobicContact CE1-CB 3.81Å; F1555-Q1557 HydrophobicContact CZ-CB 4.47Å | ||
| 1556 | N | 25.8 | Very low | 26.1 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 49% | 0.487 | 67% | 0.666 | S | S | . | * | trans | -74.5 | 118 | 146.6 | -75.1 | -52.6 | 0 | 0 | 0 | 106.6 | S1050 | S1050-N1556 PolarHBondContact OG-ND2 3.06Å; S1050-N1556 VanDerWaalsContact OG-ND2 3.16Å; S1050-N1556 PolarHBondContact OG-OD1 2.88Å | ||
| 1557 | Q | 30.1 | Very low | 26 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 66% | 0.659 | 67% | 0.665 | S | S | * | * | trans | -166 | 160.3 | 138 | -111.9 | 164.4 | 17.4 | 0 | 0 | 112.2 | F1555 | F1555-Q1557 HydrophobicContact CD1-CB 4.41Å; F1555-Q1557 HydrophobicContact CE1-CB 3.81Å; F1555-Q1557 HydrophobicContact CZ-CB 4.47Å | ||
| 1558 | E | 26.5 | Very low | 26.1 | Very low | 53 Ų | 53 | 122.7 Ų | 122.7 | 25% | 0.248 | 66% | 0.664 | C | S | . | * | trans | -130.1 | 164.5 | -146.4 | 58.7 | 141.2 | -30 | 0 | 0 | 111.2 | H1047 T1048 I1051 S1560 | H1047-E1558 HydrophobicContact CB-CB 3.38Å; H1047-E1558 VanDerWaalsContact CB-CD 3.41Å; H1047-E1558 HydrophobicContact CB-CG 3.47Å; H1047-E1558 VanDerWaalsContact CB-CG 3.47Å; H1047-E1558 WeakPolarHBondContact CB-OE1 3.44Å; H1047-E1558 WeakPolarHBondContact CD2-CB 3.42Å; H1047-E1558 WeakPolarHBondContact CD2-CG 3.31Å; H1047-E1558 WeakPolarHBondContact CE1-CA 3.27Å; H1047-E1558 WeakPolarHBondContact CE1-CB 3.27Å; H1047-E1558 WeakPolarHBondContact CE1-CG 3.33Å; H1047-E1558 PolarHBondContact CE1-N 3.13Å; H1047-E1558 PolarHBondContact CE1-O 3.01Å; H1047-E1558 IonicContact CE1-OE1 2.66Å; H1047-E1558 IonicContact CG-OE1 3.07Å; H1047-E1558 IonicContact CG-OE2 3.86Å; H1047-E1558 WeakPolarHBondContact ND1-CA 3.46Å; H1047-E1558 WeakPolarHBondContact ND1-CB 3.15Å; H1047-E1558 WeakPolarHBondContact ND1-CG 3.3Å; H1047-E1558 IonicContact ND1-OE1 2.62Å; H1047-E1558 PolarHBondContact ND1-OE1 2.85Å; H1047-E1558 WeakPolarHBondContact NE2-CA 3.4Å; H1047-E1558 WeakPolarHBondContact NE2-CB 3.46Å; H1047-E1558 WeakPolarHBondContact NE2-CG 3.46Å; H1047-E1558 PolarHBondContact NE2-N 3.36Å; T1048-E1558 WeakPolarHBondContact CA-OE2 3.43Å; T1048-E1558 PolarHBondContact N-OE1 3.37Å; T1048-E1558 PolarHBondContact N-OE2 3.45Å; T1048-E1558 PolarHBondContact OG1-OE1 2.86Å; T1048-E1558 PolarHBondContact OG1-OE2 3.48Å; I1051-E1558 HydrophobicContact CB-CG 4.38Å; I1051-E1558 HydrophobicContact CD1-CG 3.45Å; I1051-E1558 VanDerWaalsContact CD1-CG 3.45Å; I1051-E1558 HydrophobicContact CG1-CG 3.82Å; E1558-S1560 VanDerWaalsContact OE1-CB 3.26Å; E1558-S1560 WeakPolarHBondContact OE1-CB 3.42Å; E1558-S1560 PolarHBondContact OE1-OG 2.91Å | ||
| 1559 | L | 26.7 | Very low | 26.5 | Very low | 182 Ų | 182 | 122.6 Ų | 122.6 | 95% | 0.953 | 66% | 0.663 | S | S | * | * | trans | -118.4 | 106 | 158.2 | -81.9 | 166.4 | 0 | 0 | 0 | 108.2 | ||||
| 1560 | S | 34.6 | Very low | 27 | Very low | 23 Ų | 23 | 121.8 Ų | 121.8 | 16% | 0.161 | 67% | 0.666 | C | S | . | * | trans | -122.1 | 171.6 | 162.1 | 52.6 | 0 | 0 | 0 | 0 | 108.2 | E1044 H1047 E1558 | E1044-S1560 VanDerWaalsContact OE1-CA 3.29Å; E1044-S1560 WeakPolarHBondContact OE1-CA 3.49Å; E1044-S1560 WeakPolarHBondContact OE1-CB 3.33Å; H1047-S1560 WeakPolarHBondContact ND1-CB 3.44Å; H1047-S1560 PolarHBondContact ND1-N 2.98Å; H1047-S1560 PolarHBondContact ND1-OG 3.39Å; E1558-S1560 VanDerWaalsContact OE1-CB 3.26Å; E1558-S1560 WeakPolarHBondContact OE1-CB 3.42Å; E1558-S1560 PolarHBondContact OE1-OG 2.91Å | ||
| 1561 | N | 30.7 | Very low | 27.3 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 60% | 0.599 | 67% | 0.673 | S | S | * | * | trans | 84.4 | 81.8 | 180 | -48.9 | -60.9 | 0 | 0 | 0 | 116.1 | E1044 | E1044-N1561 PolarHBondContact OE1-N 3.25Š| ||
| 1562 | V | 22.3 | Very low | 27.7 | Very low | 137 Ų | 137 | 120.8 Ų | 120.8 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | S | Bend | -69.5 | 126 | 118.5 | 174.5 | 0 | 0 | 0 | 0 | 107 | |||
| 1563 | S | 22.6 | Very low | 28.2 | Very low | 94 Ų | 94 | 115.3 Ų | 115.3 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 88.5 | 81.5 | -176.6 | -38.9 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1564 | M | 32.2 | Very low | 28.4 | Very low | 167 Ų | 167 | 110.4 Ų | 110.4 | 82% | 0.823 | 64% | 0.637 | S | S | * | * | trans | -48.6 | 153.8 | 134.4 | -65.3 | -81 | 175 | 0 | 0 | 109.6 | ||||
| 1565 | P | 24.6 | Very low | 28.5 | Very low | 107 Ų | 107 | 110.3 Ų | 110.3 | 70% | 0.695 | 63% | 0.627 | S | S | * | * | cis | -150.1 | 170.5 | 34.3 | 43.9 | -25.2 | 0 | 0 | 0 | 118.6 | ||||
| 1566 | S | 23 | Very low | 28.6 | Very low | 101 Ų | 101 | 112 Ų | 112 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | 64.4 | 160 | 145.2 | -66.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1567 | T | 25.9 | Very low | 28.7 | Very low | 123 Ų | 123 | 112.6 Ų | 112.6 | 76% | 0.755 | 64% | 0.639 | S | S | * | * | trans | 62.4 | 125.7 | 151.9 | 38.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 1568 | T | 26.4 | Very low | 28.8 | Very low | 122 Ų | 122 | 113 Ų | 113 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | cis | -161.5 | 150.2 | 0.2 | -14 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1569 | L | 32.5 | Very low | 29 | Very low | 151 Ų | 151 | 115.3 Ų | 115.3 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | trans | -28.1 | 166 | 138.9 | -81.9 | 159 | 0 | 0 | 0 | 115.3 | ||||
| 1570 | P | 35.2 | Very low | 29 | Very low | 102 Ų | 102 | 110 Ų | 110 | 66% | 0.662 | 64% | 0.639 | S | S | * | * | cis | -142.8 | -177.4 | 17.2 | 28.7 | -3.4 | 0 | 0 | 0 | 116.6 | ||||
| 1571 | S | 29.9 | Very low | 28.6 | Very low | 98 Ų | 98 | 117.4 Ų | 117.4 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | trans | 68.3 | 146.3 | 132.5 | 56.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1572 | S | 32 | Very low | 28.4 | Very low | 83 Ų | 83 | 114.8 Ų | 114.8 | 58% | 0.58 | 67% | 0.67 | S | S | * | * | cis | 176.1 | -160.2 | -14 | 56.8 | 0 | 0 | 0 | 0 | 108.2 | N1062 | N1062-S1572 PolarHBondContact ND2-O 3.45Å; N1062-S1572 VanDerWaalsContact ND2-O 3.1Å | ||
| 1573 | P | 36 | Very low | 28.5 | Very low | 70 Ų | 70 | 113.7 Ų | 113.7 | 46% | 0.455 | 67% | 0.667 | S | S | . | * | -96.9 | -142.7 | -60.9 | 12.6 | 9.3 | 0 | 0 | 0 | 107.6 | N1062 | N1062-P1573 PolarHBondContact ND2-O 2.94Š| |||
| 1574 | I | 30.3 | Very low | 28.8 | Very low | 92 Ų | 92 | 111.3 Ų | 111.3 | 47% | 0.472 | 66% | 0.657 | S | S | . | * | cis | -166.4 | 150.4 | 27.7 | -87 | -178.3 | 0 | 0 | 0 | 105.2 | E1064 | E1064-I1574 HydrophobicContact CG-CD1 4.01Š| ||
| 1575 | E | 26.3 | Very low | 28.7 | Very low | 109 Ų | 109 | 107.6 Ų | 107.6 | 51% | 0.509 | 65% | 0.646 | S | S | . | * | cis | 177.1 | 160.3 | -24.1 | -131.4 | -174.5 | 131.8 | 0 | 0 | 108.5 | ||||
| 1576 | R | 27.6 | Very low | 28.6 | Very low | 193 Ų | 193 | 107.7 Ų | 107.7 | 73% | 0.728 | 64% | 0.64 | S | S | * | * | trans | 64.8 | 167.3 | 155.3 | -60.9 | 164.2 | -163.9 | 165.7 | 11.4 | 116.9 | ||||
| 1577 | C | 26.6 | Very low | 28.7 | Very low | 105 Ų | 105 | 110.3 Ų | 110.3 | 71% | 0.709 | 64% | 0.641 | S | S | * | * | cis | -162.5 | 140.1 | -31.4 | -96.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 1578 | I | 33.1 | Very low | 28.6 | Very low | 150 Ų | 150 | 108.3 Ų | 108.3 | 77% | 0.769 | 63% | 0.632 | S | S | * | * | cis | 56.7 | 154 | -3.7 | 75.1 | 163.5 | 0 | 0 | 0 | 117.3 | ||||
| 1579 | P | 31.1 | Very low | 28.8 | Very low | 101 Ų | 101 | 110 Ų | 110 | 66% | 0.656 | 64% | 0.636 | S | S | * | * | cis | -130.3 | -165.9 | 0.1 | 26.6 | -1.3 | 0 | 0 | 0 | 113.9 | ||||
| 1580 | V | 25.4 | Very low | 28.9 | Very low | 70 Ų | 70 | 108 Ų | 108 | 42% | 0.424 | 63% | 0.634 | S | S | . | * | trans | 64.7 | 162.1 | 150.5 | -76.3 | 0 | 0 | 0 | 0 | 122.4 | K424 | K424-V1580 HydrophobicContact CD-CG1 3.96Š| ||
| 1581 | H | 27.2 | Very low | 28.8 | Very low | 179 Ų | 179 | 108.6 Ų | 108.6 | 83% | 0.829 | 64% | 0.638 | S | S | * | * | trans | 72.9 | 100.2 | 160.8 | -55.6 | -53 | 0 | 0 | 0 | 116.1 | ||||
| 1582 | G | 25.9 | Very low | 28.6 | Very low | 57 Ų | 57 | 108.6 Ų | 108.6 | 59% | 0.588 | 64% | 0.638 | S | S | * | * | cis | 121.1 | -170.2 | 2.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1583 | C | 25.3 | Very low | 28.8 | Very low | 114 Ų | 114 | 110.6 Ų | 110.6 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | trans | 63.1 | 138.7 | -174.8 | -64.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1584 | G | 28.1 | Very low | 28.7 | Very low | 43 Ų | 43 | 112.5 Ų | 112.5 | 44% | 0.443 | 66% | 0.659 | S | S | . | * | trans | -68.8 | -172.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1585 | P | 29.6 | Very low | 28.8 | Very low | 90 Ų | 90 | 110.2 Ų | 110.2 | 58% | 0.584 | 65% | 0.651 | S | S | * | * | -144.2 | -168.4 | 56.9 | 42.5 | -24.1 | 0 | 0 | 0 | 113.5 | K428 | K428-P1585 VanDerWaalsContact CE-C 3.43Å; K428-P1585 WeakPolarHBondContact CE-O 3.38Å; K428-P1585 PolarHBondContact NZ-O 3.14Å | |||
| 1586 | L | 23.7 | Very low | 29 | Very low | 109 Ų | 109 | 108 Ų | 108 | 57% | 0.571 | 65% | 0.648 | S | S | * | * | 13.8 | 148.1 | 124.3 | -51 | 172.8 | 0 | 0 | 0 | 117.4 | |||||
| 1587 | Q | 25 | Very low | 29.4 | Very low | 155 Ų | 155 | 101.9 Ų | 101.9 | 72% | 0.724 | 63% | 0.633 | S | S | * | * | cis | -163.7 | 173 | 13.9 | -135.3 | 151.5 | -4.7 | 0 | 0 | 112.8 | ||||
| 1588 | S | 24.2 | Very low | 29.4 | Very low | 82 Ų | 82 | 99.6 Ų | 99.6 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | trans | 5.7 | 143.2 | 145.9 | 63.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1589 | L | 28.9 | Very low | 29.2 | Very low | 157 Ų | 157 | 95.4 Ų | 95.4 | 82% | 0.822 | 60% | 0.602 | S | S | * | * | -143.3 | 107.7 | 51.3 | -77.4 | 155.6 | 0 | 0 | 0 | 114.7 | |||||
| 1590 | S | 36 | Very low | 29 | Very low | 108 Ų | 108 | 95.6 Ų | 95.6 | 76% | 0.755 | 60% | 0.598 | S | S | * | * | trans | -65.4 | 147.1 | 134.2 | -39.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1591 | P | 31.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 99.9 Ų | 99.9 | 75% | 0.747 | 62% | 0.617 | S | S | * | * | -141.3 | 165 | 100.9 | 34.9 | -20.5 | 0 | 0 | 0 | 112.1 | |||||
| 1592 | S | 26.7 | Very low | 28.7 | Very low | 99 Ų | 99 | 94.9 Ų | 94.9 | 69% | 0.692 | 61% | 0.607 | S | S | * | * | cis | -164.8 | 151.1 | -10 | 49.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1593 | V | 36.3 | Very low | 28.6 | Very low | 125 Ų | 125 | 100 Ų | 100 | 76% | 0.758 | 62% | 0.619 | S | S | * | * | 55.6 | 125.5 | 59.3 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1594 | P | 34.4 | Very low | 28.8 | Very low | 110 Ų | 110 | 99 Ų | 99 | 71% | 0.714 | 61% | 0.612 | S | S | * | * | -127 | 179.3 | 51.2 | 7.2 | 20.4 | 0 | 0 | 0 | 114.7 | |||||
| 1595 | S | 31.3 | Very low | 28.5 | Very low | 44 Ų | 44 | 103.5 Ų | 103.5 | 31% | 0.308 | 62% | 0.624 | S | S | . | * | cis | -165.8 | 118.3 | -6.1 | 35.3 | 0 | 0 | 0 | 0 | 109.6 | D436 S437 | D436-S1595 CarbonylContact C-O 3.58Å; D436-S1595 WeakPolarHBondContact CA-O 3.38Å; D436-S1595 WeakPolarHBondContact CB-O 3.29Å; D436-S1595 PolarHBondContact N-O 3.44Å; D436-S1595 CarbonylContact O-C 3.56Å; S437-S1595 PolarHBondContact O-N 3.22Å; S437-S1595 VanDerWaalsContact O-N 3.15Å | ||
| 1596 | S | 32 | Very low | 28.2 | Very low | 62 Ų | 62 | 108.8 Ų | 108.8 | 43% | 0.434 | 63% | 0.632 | S | S | . | * | 40.6 | 140.6 | 96.4 | 75 | 0 | 0 | 0 | 0 | 116.7 | H435 D436 | H435-S1596 PolarHBondContact O-N 3.02Å; D436-S1596 VanDerWaalsContact N-CA 3.3Å; D436-S1596 PolarHBondContact O-N 3.04Å | |||
| 1597 | P | 34.7 | Very low | 28.2 | Very low | 64 Ų | 64 | 111.3 Ų | 111.3 | 42% | 0.416 | 64% | 0.639 | S | S | . | * | cis | -157.8 | 142.6 | 33.6 | 42.4 | -18.9 | 0 | 0 | 0 | 120.5 | H435 D436 | H435-P1597 VanDerWaalsContact CG-C 3.42Å; H435-P1597 VanDerWaalsContact N-C 3.34Å; H435-P1597 VanDerWaalsContact N-CA 3.27Å; H435-P1597 VanDerWaalsContact ND1-C 3.35Å; H435-P1597 PolarHBondContact ND1-O 3.22Å; D436-P1597 WeakPolarHBondContact OD1-CD 3.31Å; D436-P1597 WeakPolarHBondContact OD2-CD 3.22Å | ||
| 1598 | S | 27.8 | Very low | 28.3 | Very low | 58 Ų | 58 | 110 Ų | 110 | 41% | 0.406 | 64% | 0.635 | S | S | . | * | trans | 55.5 | 163.5 | 136.5 | 67.5 | 0 | 0 | 0 | 0 | 125.6 | H435 | H435-S1598 VanDerWaalsContact CE1-C 3.5Å; H435-S1598 PolarHBondContact CE1-O 3.07Å; H435-S1598 VanDerWaalsContact N-N 3.11Å; H435-S1598 PolarHBondContact NE2-O 2.82Å | ||
| 1599 | S | 27.1 | Very low | 28.4 | Very low | 62 Ų | 62 | 112.4 Ų | 112.4 | 43% | 0.434 | 64% | 0.642 | S | S | . | * | cis | 168 | 163 | -35.7 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | N433 | N433-S1599 WeakPolarHBondContact OD1-CB 3.28Š| ||
| 1600 | N | 27.2 | Very low | 28.2 | Very low | 105 Ų | 105 | 112.2 Ų | 112.2 | 56% | 0.561 | 64% | 0.641 | S | S | * | * | trans | 70.9 | 156.6 | 138.1 | -73.7 | -37.8 | 0 | 0 | 0 | 123.4 | N433 | N433-N1600 VanDerWaalsContact CG-ND2 3.3Å; N433-N1600 PolarHBondContact ND2-ND2 3.01Å; N433-N1600 PolarHBondContact ND2-OD1 3.31Å | ||
| 1601 | L | 23.9 | Very low | 28 | Very low | 160 Ų | 160 | 112 Ų | 112 | 84% | 0.838 | 64% | 0.635 | S | S | * | * | trans | 82.9 | 121.5 | 136.6 | -87.1 | 160.7 | 0 | 0 | 0 | 121.5 | ||||
| 1602 | A | 22.5 | Very low | 28 | Very low | 74 Ų | 74 | 112.1 Ų | 112.1 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | 104.6 | 97.4 | 119.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1603 | I | 25.2 | Very low | 28 | Very low | 163 Ų | 163 | 111.5 Ų | 111.5 | 84% | 0.836 | 63% | 0.631 | S | S | * | * | trans | 65.5 | -152.7 | 138.4 | -30.2 | -179.9 | 0 | 0 | 0 | 113.3 | ||||
| 1604 | P | 27.8 | Very low | 27.6 | Very low | 95 Ų | 95 | 110 Ų | 110 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | -123.8 | 178.9 | -124.1 | 43.5 | -27.5 | 0 | 0 | 0 | 117.1 | |||||
| 1605 | I | 22.3 | Very low | 27.2 | Very low | 136 Ų | 136 | 110.8 Ų | 110.8 | 70% | 0.697 | 63% | 0.625 | S | S | * | * | trans | 73 | 113.4 | 155.9 | -71.3 | 159.6 | 0 | 0 | 0 | 116.7 | ||||
| 1606 | R | 23.8 | Very low | 27.1 | Very low | 201 Ų | 201 | 114.8 Ų | 114.8 | 76% | 0.758 | 64% | 0.638 | S | S | * | * | trans | 44.7 | 133.2 | 146 | -58.3 | 173.3 | -179.8 | 163.2 | -2.1 | 119.3 | ||||
| 1607 | F | 24.3 | Very low | 26.8 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 72% | 0.715 | 65% | 0.65 | S | S | * | * | 175.7 | 138.9 | 89.9 | -93.7 | -60.5 | 0 | 0 | 0 | 114.6 | |||||
| 1608 | I | 26.6 | Very low | 26.4 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 65% | 0.651 | 67% | 0.665 | S | S | * | * | trans | 67.1 | 117.8 | 138 | -75.2 | 161.5 | 0 | 0 | 0 | 120.7 | ||||
| 1609 | N | 25.4 | Very low | 26.3 | Very low | 133 Ų | 133 | 124 Ų | 124 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | 43.4 | 143.9 | 127.3 | -40.7 | -8.2 | 0 | 0 | 0 | 119.6 | |||||
| 1610 | L | 26.4 | Very low | 26.5 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | cis | -148.9 | 148.8 | 43.5 | -78.6 | 159.4 | 0 | 0 | 0 | 115.2 | ||||
| 1611 | T | 31.2 | Very low | 26.7 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 64% | 0.638 | 70% | 0.701 | S | S | * | * | trans | -30.8 | 156 | 144.4 | 46 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1612 | P | 31.3 | Very low | 27.1 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | cis | -118.5 | 147.9 | 33.7 | 25.5 | -6.2 | 0 | 0 | 0 | 114.7 | ||||
| 1613 | S | 27 | Very low | 27.6 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | cis | 87.2 | 150.5 | 31.6 | 85.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1614 | S | 26.9 | Very low | 28.1 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | trans | 71.1 | 143.2 | 150 | 50 | 0 | 0 | 0 | 0 | 121 | ||||
| 1615 | D | 26.2 | Very low | 28.3 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | cis | -178.7 | 169.8 | -29.5 | -121 | -55 | 0 | 0 | 0 | 110.6 | ||||
| 1616 | H | 28.8 | Very low | 28.9 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | trans | 63.6 | 115.4 | 144.6 | -73.3 | 20.1 | 0 | 0 | 0 | 119.1 | ||||
| 1617 | Q | 26 | Very low | 29.3 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | 86 | 163.6 | 72.2 | -78.6 | 177.4 | 22.3 | 0 | 0 | 114.8 | |||||
| 1618 | I | 26.8 | Very low | 29.7 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | trans | 73.4 | 108.9 | 168.5 | -53.7 | 119.4 | 0 | 0 | 0 | 114.7 | ||||
| 1619 | S | 26.3 | Very low | 30 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | cis | 104.9 | 140.3 | 16.7 | 92.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1620 | H | 30.6 | Very low | 30.4 | Very low | 173 Ų | 173 | 132.2 Ų | 132.2 | 80% | 0.801 | 72% | 0.723 | S | S | * | * | trans | 65.3 | 103.4 | 157.7 | -67.2 | -53.7 | 0 | 0 | 0 | 123.7 | ||||
| 1621 | A | 31.1 | Very low | 30.7 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | 61.3 | 142 | 107.4 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1622 | R | 31.7 | Very low | 30.9 | Very low | 256 Ų | 256 | 129.2 Ų | 129.2 | 97% | 0.966 | 71% | 0.71 | S | S | * | * | -175.2 | 167.9 | 120.3 | -102.2 | 166.8 | -179 | -165.9 | -0.2 | 114.7 | |||||
| 1623 | S | 33.9 | Very low | 31 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | -130.7 | 178.9 | -160.2 | 59.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1624 | K | 35.6 | Very low | 31.3 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 71% | 0.713 | S | S | * | * | trans | -169.6 | 168.9 | 177.9 | -95.5 | 142.7 | -177.5 | 177.7 | 0 | 108.5 | ||||
| 1625 | S | 32.5 | Very low | 31.6 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | cis | 171.1 | 145.2 | -35.7 | 56.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1626 | S | 35 | Very low | 31.7 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | cis | -177.7 | -167.5 | -16.2 | 52.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1627 | I | 32.8 | Very low | 32.1 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | 71.6 | 144.2 | 164.6 | -66.8 | 167.2 | 0 | 0 | 0 | 114.7 | ||||
| 1628 | C | 32.3 | Very low | 32.4 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 72% | 0.716 | 73% | 0.733 | S | S | * | * | cis | -170.9 | 162.8 | -23.4 | -97.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 1629 | V | 32.6 | Very low | 32.5 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 67% | 0.667 | 73% | 0.731 | S | S | * | * | cis | -168 | 148.1 | -23 | 61.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1630 | R | 32.6 | Very low | 32.7 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 77% | 0.774 | 73% | 0.732 | S | S | * | * | trans | -149.6 | -150.2 | 171.1 | -148.9 | 62.6 | -83.4 | 151.7 | 1.6 | 113.4 | ||||
| 1631 | D | 33.9 | Very low | 32.9 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | trans | -147.6 | 160.1 | -149.8 | -81.6 | -77.9 | 0 | 0 | 0 | 111.2 | ||||
| 1632 | S | 34.9 | Very low | 33.2 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | cis | -175.7 | 156.8 | -21.4 | -102.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1633 | L | 33.6 | Very low | 33 | Very low | 134 Ų | 134 | 130 Ų | 130 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | cis | 179.8 | 122.4 | -26.6 | -113 | 177.8 | 0 | 0 | 0 | 102.5 | ||||
| 1634 | K | 32.5 | Very low | 32.6 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 73% | 0.726 | 71% | 0.705 | S | S | * | * | cis | -168.3 | 163.7 | 21.1 | 17 | 68 | -152.7 | 83.9 | 0 | 104.7 | ||||
| 1635 | S | 33.7 | Very low | 32.2 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | cis | -164.5 | 165.2 | 0.3 | 41.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1636 | R | 29.4 | Very low | 31.8 | Very low | 226 Ų | 226 | 128.1 Ų | 128.1 | 85% | 0.853 | 70% | 0.7 | S | S | * | * | cis | -141.7 | 170.7 | 23.6 | -56.1 | 171.2 | 171.7 | -172.6 | -1.4 | 111 | ||||
| 1637 | P | 36.3 | Very low | 31.4 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | trans | -59.7 | 168 | 146.4 | -18.1 | 33.5 | 0 | 0 | 0 | 112 | ||||
| 1638 | I | 32.6 | Very low | 31 | Very low | 146 Ų | 146 | 128 Ų | 128 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | cis | -147.4 | 175.7 | 8.3 | -153.4 | 162.3 | 0 | 0 | 0 | 110.1 | ||||
| 1639 | E | 29.1 | Very low | 30.7 | Very low | 145 Ų | 145 | 129 Ų | 129 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | trans | -82.5 | -147 | 179.9 | -58.8 | 67.6 | -146.2 | 0 | 0 | 110.3 | ||||
| 1640 | N | 29.7 | Very low | 30.4 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | cis | -161.6 | 153.6 | 4.8 | -134.8 | 1.8 | 0 | 0 | 0 | 106.5 | ||||
| 1641 | S | 35.9 | Very low | 30.1 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 66% | 0.657 | 70% | 0.696 | S | S | * | * | cis | 72.4 | 161.1 | 10.7 | 114.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1642 | P | 36.6 | Very low | 29.7 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 64% | 0.643 | 69% | 0.693 | S | S | * | * | cis | -139.2 | -168.6 | 1.7 | 25.4 | 1.1 | 0 | 0 | 0 | 116.3 | ||||
| 1643 | V | 27.4 | Very low | 29.3 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | 95.7 | 80.2 | 150.7 | -158.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1644 | N | 26.4 | Very low | 28.9 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | 52.9 | 118.7 | 111.3 | -54.8 | -6.8 | 0 | 0 | 0 | 123.8 | |||||
| 1645 | N | 25.8 | Very low | 28.7 | Very low | 138 Ų | 138 | 120 Ų | 120 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | 79.1 | 120.7 | 116.1 | -62.8 | -2 | 0 | 0 | 0 | 123.7 | |||||
| 1646 | S | 25.7 | Very low | 28.3 | Very low | 99 Ų | 99 | 120.9 Ų | 120.9 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | 108.9 | 110.4 | 111.3 | 64.5 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1647 | T | 24.8 | Very low | 28.1 | Very low | 115 Ų | 115 | 112.6 Ų | 112.6 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | 68.3 | 118.7 | 125.4 | 62.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1648 | N | 25.6 | Very low | 27.6 | Very low | 131 Ų | 131 | 117 Ų | 117 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | 92.4 | 134.3 | 117.6 | -79.6 | 43.8 | 0 | 0 | 0 | 124 | |||||
| 1649 | D | 25.5 | Very low | 27.5 | Very low | 128 Ų | 128 | 117.3 Ų | 117.3 | 68% | 0.684 | 66% | 0.658 | S | S | * | * | 100.4 | 114.4 | 127.9 | -85.3 | -48.4 | 0 | 0 | 0 | 123.7 | |||||
| 1650 | C | 26.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 70% | 0.703 | 66% | 0.659 | S | S | * | * | trans | 67.1 | 98.9 | 132.9 | -74.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1651 | A | 27.5 | Very low | 27.3 | Very low | 88 Ų | 88 | 115 Ų | 115 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | 53.2 | 148.4 | 102.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1652 | L | 25.4 | Very low | 26.7 | Very low | 102 Ų | 102 | 117 Ų | 117 | 53% | 0.534 | 66% | 0.663 | S | S | . | * | 174.3 | 149.2 | 113.4 | -96.4 | 167.3 | 0 | 0 | 0 | 115.5 | |||||
| 1653 | L | 25.9 | Very low | 26.1 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 78% | 0.78 | 67% | 0.668 | S | S | * | * | trans | 67.6 | 147.4 | 155.7 | -60.4 | 158.7 | 0 | 0 | 0 | 120 | ||||
| 1654 | S | 25.1 | Very low | 25.8 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | cis | -174.3 | 145.3 | -20 | 55.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1655 | H | 27.8 | Very low | 25.7 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 43% | 0.431 | 67% | 0.666 | S | S | . | * | trans | 69.6 | 167.8 | 140.7 | -86.1 | -73.4 | 0 | 0 | 0 | 123 | V1143 P1144 P1145 T1146 | V1143-H1655 PolarHBondContact O-CE1 2.97Å; V1143-H1655 PolarHBondContact O-ND1 3.26Å; P1144-H1655 PolarHBondContact O-ND1 3.46Å; P1145-H1655 CarbonylContact C-O 3.55Å; P1145-H1655 CarbonylContact O-C 3.58Å; T1146-H1655 PolarHBondContact N-O 3.47Å | ||
| 1656 | Q | 26 | Very low | 25.6 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | B | Isolated β-bridge | trans | 100.5 | 0 | 166.4 | -42.9 | -58.7 | -14.6 | 0 | 0 | 125.3 | P1144 P1145 T1146 | P1144-Q1656 VanDerWaalsContact C-CA 3.46Å; P1144-Q1656 PolarHBondContact O-N 3.17Å; P1144-Q1656 VanDerWaalsContact O-N 3.14Å; P1145-Q1656 VanDerWaalsContact C-CA 3.42Å; P1145-Q1656 CarbonylContact C-O 3.56Å; P1145-Q1656 WeakPolarHBondContact CA-O 3.41Å; P1145-Q1656 WeakPolarHBondContact CB-O 3.45Å; P1145-Q1656 VanDerWaalsContact CD-O 3.23Å; P1145-Q1656 WeakPolarHBondContact CD-O 3.4Å; P1145-Q1656 HydrophobicContact CG-CB 4.39Å; P1145-Q1656 WeakPolarHBondContact CG-O 3.27Å; T1146-Q1656 PolarHBondContact N-O 2.72Å; T1146-Q1656 WeakPolarHBondContact O-CB 3.39Å |
| 1657 | S | 25 | Very low | 25.5 | Very low | 53 Ų | 53 | 121.4 Ų | 121.4 | 37% | 0.371 | 67% | 0.668 | S | S | . | * | 0 | 121.4 | 0 | 87.1 | 0 | 0 | 0 | 0 | 130.1 | P1144 P1145 | P1144-S1657 VanDerWaalsContact C-N 3.28Å; P1145-S1657 VanDerWaalsContact CB-O 3.27Å; P1145-S1657 WeakPolarHBondContact CB-O 3.43Å; P1145-S1657 VanDerWaalsContact CD-CB 3.41Å; P1145-S1657 VanDerWaalsContact CG-C 3.45Å; P1145-S1657 VanDerWaalsContact CG-O 3.25Å; P1145-S1657 WeakPolarHBondContact CG-O 3.34Å; P1145-S1657 WeakPolarHBondContact CG-OG 3.37Å | |||
| 1658 | Y | 25.6 | Very low | 25.5 | Very low | 200 Ų | 200 | 122.2 Ų | 122.2 | 78% | 0.784 | 66% | 0.659 | S | S | * | * | trans | 82.9 | 133.6 | 134.2 | -78.5 | -156.3 | 0 | 0 | 0 | 116.3 | P1144 | P1144-Y1658 HydrophobicContact CG-CD2 4.13Å; P1144-Y1658 HydrophobicContact CG-CE2 3.83Å | ||
| 1659 | I | 29.9 | Very low | 25.6 | Very low | 152 Ų | 152 | 121 Ų | 121 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | cis | 63.7 | 132.8 | 30.3 | -59.3 | -178 | 0 | 0 | 0 | 111.9 | ||||
| 1660 | P | 31.1 | Very low | 25.5 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 71% | 0.708 | 66% | 0.659 | S | S | * | * | cis | -131.2 | -156 | 12.3 | 22.2 | 5.6 | 0 | 0 | 0 | 113.1 | ||||
| 1661 | T | 23.7 | Very low | 25.5 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | trans | 106.2 | 108.2 | 134.4 | -58 | 0 | 0 | 0 | 0 | 119 | ||||
| 1662 | L | 23.3 | Very low | 25.4 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 72% | 0.723 | 65% | 0.649 | S | S | * | * | trans | 56.5 | 111 | 146.2 | -66.5 | 172.6 | 0 | 0 | 0 | 120.9 | ||||
| 1663 | M | 23.6 | Very low | 25.5 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 74% | 0.744 | 65% | 0.651 | S | S | * | * | 55.9 | 168.6 | 109.4 | -74.5 | -159.5 | -175.2 | 0 | 0 | 121.7 | |||||
| 1664 | S | 22.1 | Very low | 25.6 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | trans | 79.6 | 117 | 169.6 | 80.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1665 | Y | 24.3 | Very low | 25.9 | Very low | 167 Ų | 167 | 121 Ų | 121 | 66% | 0.655 | 65% | 0.654 | S | S | * | * | 62.8 | 140.8 | 81.9 | -64.3 | -67.7 | 0 | 0 | 0 | 111.5 | V24 | V24-Y1665 HydrophobicContact CG1-CE2 3.85Å; V24-Y1665 VanDerWaalsContact CG1-OH 3.23Å; V24-Y1665 WeakPolarHBondContact CG1-OH 3.41Å; V24-Y1665 HydrophobicContact CG2-CE2 3.92Å; V24-Y1665 WeakPolarHBondContact CG2-OH 3.42Å | |||
| 1666 | S | 24.3 | Very low | 26.1 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | cis | -161.6 | 170.3 | 29.5 | -158 | 0 | 0 | 0 | 0 | 112.5 | R1668 | S1666-R1668 PolarHBondContact O-N 2.96Š| ||
| 1667 | L | 22.6 | Very low | 26.4 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 87% | 0.874 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -55.2 | 97.9 | 132.4 | -86 | 165 | 0 | 0 | 0 | 107.5 | ||
| 1668 | R | 25.2 | Very low | 26.7 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 50% | 0.498 | 69% | 0.688 | S | S | . | * | trans | -64.9 | 151.5 | 178.1 | -136.7 | -176.3 | -168.3 | -166.8 | 8.6 | 109.1 | S523 S524 S1666 | S523-R1668 PolarHBondContact O-NH1 3.43Å; S524-R1668 PolarHBondContact O-NH1 3.16Å; S524-R1668 PolarHBondContact O-NH2 3.45Å; S1666-R1668 PolarHBondContact O-N 2.96Å | ||
| 1669 | P | 26.8 | Very low | 27.1 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | -132.3 | 144.3 | 112.2 | 35.7 | -29.6 | 0 | 0 | 0 | 113.6 | |||||
| 1670 | T | 24.7 | Very low | 27.2 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | 60.1 | 140.6 | 151.8 | 52.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1671 | C | 25.5 | Very low | 27.5 | Very low | 93 Ų | 93 | 125 Ų | 125 | 63% | 0.628 | 68% | 0.679 | S | S | * | * | cis | -159.6 | 140.6 | 5 | -114.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1672 | T | 25.8 | Very low | 27.9 | Very low | 99 Ų | 99 | 124.3 Ų | 124.3 | 61% | 0.607 | 68% | 0.679 | S | S | * | * | trans | 66.2 | 174.6 | 159.7 | 66.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1673 | I | 27.9 | Very low | 28.1 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 57% | 0.574 | 69% | 0.688 | S | S | * | * | cis | -154.2 | 172.2 | 13.5 | -154.5 | 157.1 | 0 | 0 | 0 | 115.7 | ||||
| 1674 | N | 27.9 | Very low | 28.5 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | trans | -55 | 157.8 | 174.6 | -61.3 | 0.1 | 0 | 0 | 0 | 115.9 | ||||
| 1675 | S | 30.9 | Very low | 28.9 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | cis | -154.1 | -151 | -2.9 | 48 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1676 | D | 32.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | cis | -162.9 | -147.7 | 20.5 | -150.1 | 78.1 | 0 | 0 | 0 | 113.9 | ||||
| 1677 | N | 31.8 | Very low | 29.5 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | trans | -100.8 | 160.1 | -165.5 | -63.1 | -83.9 | 0 | 0 | 0 | 114.1 | ||||
| 1678 | Y | 32.1 | Very low | 29.7 | Very low | 199 Ų | 199 | 125.2 Ų | 125.2 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | -167.4 | 127 | 59.2 | -108.5 | -92.3 | 0 | 0 | 0 | 115.5 | |||||
| 1679 | N | 32.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | trans | 43.6 | 117.5 | 136.6 | -69 | -20.9 | 0 | 0 | 0 | 126.4 | ||||
| 1680 | N | 32.1 | Very low | 29.7 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | 56.7 | 163.3 | 112.3 | -86.6 | -11.9 | 0 | 0 | 0 | 123.6 | |||||
| 1681 | P | 39.1 | Very low | 29.8 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | cis | -146.9 | -175.5 | -44.5 | 42.1 | -23.2 | 0 | 0 | 0 | 116.4 | ||||
| 1682 | S | 30.3 | Very low | 29.9 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | 93.7 | 129.9 | 137.6 | 76.2 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1683 | N | 29.2 | Very low | 29.9 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 91% | 0.914 | 73% | 0.732 | S | S | * | * | trans | 55.5 | 130.6 | 138 | -62.6 | -5.8 | 0 | 0 | 0 | 124.5 | ||||
| 1684 | G | 31.9 | Very low | 29.8 | Very low | 80 Ų | 80 | 130.3 Ų | 130.3 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | 178.8 | 108 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1685 | N | 29.6 | Very low | 29.8 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 87% | 0.866 | 74% | 0.742 | S | S | * | * | trans | -85.1 | 159 | 169.8 | -83.3 | -24.6 | 0 | 0 | 0 | 111.4 | ||||
| 1686 | I | 32.5 | Very low | 29.6 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | 177.3 | 148 | 120.2 | -91.5 | 156 | 0 | 0 | 0 | 111.6 | |||||
| 1687 | N | 27.8 | Very low | 29.3 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | -80.1 | 162.2 | 178.3 | -52 | -49.2 | 0 | 0 | 0 | 112.4 | ||||
| 1688 | S | 28 | Very low | 29.2 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | 155.8 | 139.1 | 102.9 | 59 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1689 | T | 26.7 | Very low | 29.1 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | 59.8 | 105.7 | 140.8 | 51.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1690 | T | 25.6 | Very low | 28.9 | Very low | 118 Ų | 118 | 120 Ų | 120 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | 76.3 | 132.9 | 114.1 | -26.8 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1691 | T | 26.3 | Very low | 28.8 | Very low | 116 Ų | 116 | 119 Ų | 119 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | trans | 72.5 | 98.8 | 148.7 | 32 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1692 | S | 26.6 | Very low | 28.4 | Very low | 100 Ų | 100 | 116.5 Ų | 116.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | 82.6 | 162.8 | 112 | 76 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1693 | I | 27 | Very low | 28.5 | Very low | 140 Ų | 140 | 117.4 Ų | 117.4 | 72% | 0.718 | 72% | 0.717 | S | S | * | * | trans | 85.6 | 93.5 | 165.5 | -57.3 | 172.9 | 0 | 0 | 0 | 117.3 | ||||
| 1694 | Q | 25.6 | Very low | 29.1 | Very low | 172 Ų | 172 | 115.3 Ų | 115.3 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | 57.9 | 139.6 | 129.9 | -62.4 | -178.5 | -37.7 | 0 | 0 | 123.2 | |||||
| 1695 | S | 27 | Very low | 29.4 | Very low | 104 Ų | 104 | 114.8 Ų | 114.8 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | 94.5 | 122.4 | 133 | 65.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1696 | S | 26.9 | Very low | 30 | Very low | 97 Ų | 97 | 110.1 Ų | 110.1 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | trans | 78.3 | 109.9 | 132.4 | 59.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1697 | T | 27.4 | Very low | 30.2 | Very low | 126 Ų | 126 | 108.7 Ų | 108.7 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | 85.9 | 127 | 122.4 | 54.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1698 | S | 28.2 | Very low | 30.4 | Very low | 98 Ų | 98 | 106.8 Ų | 106.8 | 69% | 0.685 | 67% | 0.666 | S | S | * | * | 84.1 | 91.5 | 127.9 | 68.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1699 | S | 29.8 | Very low | 30.6 | Very low | 90 Ų | 90 | 105 Ų | 105 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | 87.7 | 153.9 | 102.9 | 75.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1700 | A | 30.2 | Very low | 30.6 | Very low | 68 Ų | 68 | 101.3 Ų | 101.3 | 56% | 0.562 | 63% | 0.632 | S | S | * | * | trans | 92.8 | 105.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1701 | T | 30.2 | Very low | 30.8 | Very low | 127 Ų | 127 | 99.2 Ų | 99.2 | 78% | 0.779 | 61% | 0.614 | S | S | * | * | 33 | 144.2 | 120.1 | 14.9 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1702 | S | 29 | Very low | 30.7 | Very low | 50 Ų | 50 | 95.4 Ų | 95.4 | 35% | 0.35 | 59% | 0.588 | S | S | . | * | cis | -159.4 | 145.4 | 26.8 | 59.7 | 0 | 0 | 0 | 0 | 115.4 | S1139 T1140 | S1139-S1702 WeakPolarHBondContact O-CB 3.34Å; S1139-S1702 PolarHBondContact O-OG 3.09Å; S1139-S1702 VanDerWaalsContact O-OG 3.13Å; T1140-S1702 PolarHBondContact N-OG 3.49Å | ||
| 1703 | Q | 32.2 | Very low | 31.1 | Very low | 114 Ų | 114 | 94.7 Ų | 94.7 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | trans | 36.9 | 126.6 | 133.7 | -60.2 | 177.8 | -2.1 | 0 | 0 | 119.8 | S1139 T1140 S1141 | S1139-Q1703 PolarHBondContact O-OE1 2.97Å; T1140-Q1703 CarbonylContact C-O 3.59Å; T1140-Q1703 WeakPolarHBondContact CA-O 3.37Å; S1141-Q1703 CarbonylContact C-O 3.35Å; S1141-Q1703 WeakPolarHBondContact CA-O 3.46Å; S1141-Q1703 PolarHBondContact N-O 3.07Å; S1141-Q1703 CarbonylContact O-C 3.58Å | ||
| 1704 | L | 42.1 | Very low | 31.2 | Very low | 127 Ų | 127 | 90.4 Ų | 90.4 | 67% | 0.665 | 55% | 0.55 | S | S | * | * | 41.1 | 146.2 | 116.8 | -55.5 | 167 | 0 | 0 | 0 | 119.5 | T1140 S1141 | T1140-L1704 CarbonylContact C-O 3.47Å; T1140-L1704 WeakPolarHBondContact CA-O 3.26Å; S1141-L1704 PolarHBondContact N-O 2.77Å; S1141-L1704 PolarHBondContact O-N 3.44Å | |||
| 1705 | P | 38.8 | Very low | 31.2 | Very low | 70 Ų | 70 | 88.1 Ų | 88.1 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | cis | -159.6 | 174.4 | 46.9 | 42.5 | -20.6 | 0 | 0 | 0 | 120.1 | T1142 | T1142-P1705 VanDerWaalsContact CG2-O 3.25Å; T1142-P1705 WeakPolarHBondContact CG2-O 3.38Å; T1142-P1705 VanDerWaalsContact OG1-CD 3.23Å; T1142-P1705 WeakPolarHBondContact OG1-CD 3.4Å; T1142-P1705 PolarHBondContact OG1-O 3.36Å | ||
| 1706 | G | 42.7 | Very low | 31 | Very low | 64 Ų | 64 | 87.2 Ų | 87.2 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | trans | 86 | -171.2 | 130.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1707 | V | 36.8 | Very low | 31.1 | Very low | 136 Ų | 136 | 90 Ų | 90 | 82% | 0.824 | 53% | 0.526 | S | S | * | . | trans | 85.1 | 124.7 | -175 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1708 | N | 31.5 | Very low | 31 | Very low | 106 Ų | 106 | 91.3 Ų | 91.3 | 57% | 0.567 | 52% | 0.524 | S | S | * | . | cis | -157.5 | 161.5 | 10.3 | -140 | -8.3 | 0 | 0 | 0 | 118.9 | ||||
| 1709 | S | 31.2 | Very low | 30.6 | Very low | 64 Ų | 64 | 93 Ų | 93 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | trans | 57.5 | -179.4 | 146.1 | 96.3 | 0 | 0 | 0 | 0 | 121.1 | N534 N535 | N534-S1709 WeakPolarHBondContact CB-OG 3.21Å; N534-S1709 PolarHBondContact OD1-OG 3.34Å; N535-S1709 PolarHBondContact ND2-OG 3.32Å | ||
| 1710 | S | 27.4 | Very low | 30.3 | Very low | 40 Ų | 40 | 93 Ų | 93 | 28% | 0.28 | 52% | 0.522 | S | S | . | . | cis | -152.2 | -172.8 | -16 | 83.7 | 0 | 0 | 0 | 0 | 113 | N535 S536 | N535-S1710 WeakPolarHBondContact CB-OG 3.46Å; S536-S1710 WeakPolarHBondContact CB-OG 3.29Å | ||
| 1711 | H | 30.6 | Very low | 30.2 | Very low | 75 Ų | 75 | 98.5 Ų | 98.5 | 35% | 0.347 | 53% | 0.529 | S | S | . | . | trans | 13.5 | 167 | 149.5 | -56.9 | -45.1 | 0 | 0 | 0 | 124 | C5 L6 S536 N537 | C5-H1711 WeakPolarHBondContact O-CA 3.46Å; C5-H1711 PolarHBondContact O-ND1 3.44Å; L6-H1711 PolarHBondContact O-CE1 3.17Å; L6-H1711 PolarHBondContact O-ND1 3.23Å; S536-H1711 VanDerWaalsContact CB-O 3.27Å; S536-H1711 WeakPolarHBondContact CB-O 3.43Å; S536-H1711 VanDerWaalsContact OG-CB 3.24Å; S536-H1711 WeakPolarHBondContact OG-CB 3.3Å; N537-H1711 PolarHBondContact ND2-O 2.93Å | ||
| 1712 | E | 24.2 | Very low | 30.1 | Very low | 36 Ų | 36 | 95.9 Ų | 95.9 | 17% | 0.168 | 52% | 0.515 | C | S | . | . | cis | -150.3 | 159.8 | -21.2 | 160.8 | 162.8 | 116.1 | 0 | 0 | 110.9 | K3 C5 L6 N7 | K3-E1712 VanDerWaalsContact CE-OE1 3.31Å; K3-E1712 WeakPolarHBondContact CE-OE1 3.31Å; K3-E1712 WeakPolarHBondContact CE-OE2 3.47Å; K3-E1712 IonicContact NZ-OE1 3.45Å; K3-E1712 PolarHBondContact NZ-OE1 3.01Å; K3-E1712 IonicContact NZ-OE2 3.98Å; K3-E1712 PolarHBondContact NZ-OE2 3.5Å; C5-E1712 VanDerWaalsContact O-CA 3.28Å; C5-E1712 WeakPolarHBondContact O-CA 3.42Å; C5-E1712 WeakPolarHBondContact O-CB 3.44Å; L6-E1712 VanDerWaalsContact C-OE2 3.31Å; L6-E1712 WeakPolarHBondContact CA-OE2 3.34Å; L6-E1712 PolarHBondContact N-OE2 2.59Å; N7-E1712 PolarHBondContact N-OE2 2.9Å | ||
| 1713 | Q | 33.5 | Very low | 30 | Very low | 85 Ų | 85 | 98.9 Ų | 98.9 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | trans | -108.1 | 146.8 | 158.9 | -76.6 | -175.6 | -21.2 | 0 | 0 | 115.7 | K3 S4 | K3-Q1713 WeakPolarHBondContact CD-O 3.41Å; K3-Q1713 WeakPolarHBondContact CE-O 3.26Å; K3-Q1713 PolarHBondContact NZ-O 3.15Å; S4-Q1713 VanDerWaalsContact N-OE1 3.16Å; S4-Q1713 WeakPolarHBondContact O-CG 3.26Å; S4-Q1713 PolarHBondContact O-OE1 2.85Å | ||
| 1714 | Q | 29 | Very low | 29.9 | Very low | 49 Ų | 49 | 95.9 Ų | 95.9 | 23% | 0.229 | 51% | 0.512 | C | S | . | . | trans | 56.7 | 129.6 | 147.6 | -169.8 | -105.4 | -138.9 | 0 | 0 | 118.4 | N2 K3 | N2-Q1714 VanDerWaalsContact C-CD 3.43Å; N2-Q1714 VanDerWaalsContact O-CB 3.27Å; N2-Q1714 WeakPolarHBondContact O-CB 3.39Å; K3-Q1714 VanDerWaalsContact CD-O 3.25Å; K3-Q1714 WeakPolarHBondContact CD-O 3.46Å; K3-Q1714 PolarHBondContact NZ-O 3.1Å | ||
| 1715 | Q | 25.9 | Very low | 29.2 | Very low | 124 Ų | 124 | 93.7 Ų | 93.7 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | trans | -113.6 | 164.6 | 154.5 | -158.3 | 58.9 | 6.4 | 0 | 0 | 110.7 | L8 | L8-Q1715 HydrophobicContact CD2-CG 4.49Š| ||
| 1716 | Q | 22.8 | Very low | 28.8 | Very low | 85 Ų | 85 | 93 Ų | 93 | 40% | 0.397 | 51% | 0.506 | S | S | . | . | trans | -138.9 | 144 | -167.4 | 161.8 | 177.5 | -40.8 | 0 | 0 | 110.5 | ||||
| 1717 | Q | 30.2 | Very low | 28.1 | Very low | 155 Ų | 155 | 94.8 Ų | 94.8 | 72% | 0.724 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 59.2 | 173.3 | 177 | -77.5 | -177.4 | -2.2 | 0 | 0 | 114.3 | M1719 | Q1717-M1719 PolarHBondContact O-N 3.29Š|
| 1718 | Q | 25 | Very low | 27.6 | Very low | 155 Ų | 155 | 92.4 Ų | 92.4 | 72% | 0.724 | 49% | 0.486 | S | S | * | . | trans | 47.8 | 37.1 | 166.5 | -58.4 | -92.3 | -39.9 | 0 | 0 | 111.8 | ||||
| 1719 | M | 20.2 | Very low | 27.3 | Very low | 134 Ų | 134 | 94.6 Ų | 94.6 | 66% | 0.66 | 49% | 0.491 | S | S | * | . | 98.6 | -155.5 | 77.7 | -83.8 | -175.4 | -54.2 | 0 | 0 | 105.8 | Q1717 | Q1717-M1719 PolarHBondContact O-N 3.29Š| |||
| 1720 | S | 23.3 | Very low | 27.1 | Very low | 88 Ų | 88 | 99.7 Ų | 99.7 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | trans | 85.1 | 93.8 | 148.6 | -47 | 0 | 0 | 0 | 0 | 110 | ||||
| 1721 | R | 27.7 | Very low | 26.9 | Very low | 185 Ų | 185 | 106.5 Ų | 106.5 | 70% | 0.698 | 52% | 0.521 | S | S | * | . | 44.8 | 123.6 | 59.8 | -42.9 | -176.9 | 172.1 | -172.1 | 1.2 | 110 | D1206 | D1206-R1721 IonicContact OD2-NH1 2.68Å; D1206-R1721 PolarHBondContact OD2-NH1 3.28Å | |||
| 1722 | S | 27.9 | Very low | 26.7 | Very low | 71 Ų | 71 | 106.7 Ų | 106.7 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | 83.7 | 132.9 | 122.1 | -67.6 | 0 | 0 | 0 | 0 | 117.8 | D1206 | D1206-S1722 PolarHBondContact OD1-OG 3.32Š| |||
| 1723 | F | 26.1 | Very low | 26.9 | Very low | 113 Ų | 113 | 113.9 Ų | 113.9 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | cis | -172.4 | -159.2 | -4 | -120.6 | 176.8 | 0 | 0 | 0 | 109.5 | D1206 | D1206-F1723 HydrophobicContact CB-CD1 4.49Å; D1206-F1723 HydrophobicContact CB-CE1 3.95Å; D1206-F1723 WeakPolarHBondContact OD1-CD1 3.46Å; D1206-F1723 WeakPolarHBondContact OD1-CE1 3.44Å | ||
| 1724 | T | 30.8 | Very low | 26.6 | Very low | 52 Ų | 52 | 115.6 Ų | 115.6 | 32% | 0.319 | 58% | 0.576 | S | S | . | * | -0.4 | 135.7 | 104.6 | -8.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1725 | L | 28.1 | Very low | 26.4 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 42% | 0.419 | 60% | 0.602 | S | S | . | * | -141.8 | 121.2 | 58.3 | -69.8 | 126.1 | 0 | 0 | 0 | 109.3 | P1202 D1205 | P1202-L1725 HydrophobicContact CB-CB 4.33Å; P1202-L1725 HydrophobicContact CG-CB 3.91Å; P1202-L1725 VanDerWaalsContact O-CD1 3.27Å; P1202-L1725 WeakPolarHBondContact O-CD1 3.49Å; D1205-L1725 WeakPolarHBondContact O-CD1 3.35Å | |||
| 1726 | G | 29 | Very low | 26.5 | Very low | 57 Ų | 57 | 121.6 Ų | 121.6 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | cis | 179.9 | -160.2 | 1.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1727 | L | 28 | Very low | 26.6 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | 35.9 | 115.1 | 53.9 | -65.1 | -179.6 | 0 | 0 | 0 | 111.5 | L1208 | L1208-L1727 HydrophobicContact CB-CD1 3.34Å; L1208-L1727 HydrophobicContact CD1-CD1 4.31Å; L1208-L1727 HydrophobicContact CG-CD1 4.42Å | |||
| 1728 | T | 26.7 | Very low | 26.4 | Very low | 86 Ų | 86 | 121.7 Ų | 121.7 | 53% | 0.528 | 63% | 0.631 | S | S | . | * | -158.2 | 155.1 | 54 | 46.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1729 | K | 26.2 | Very low | 26.3 | Very low | 152 Ų | 152 | 119.3 Ų | 119.3 | 66% | 0.661 | 63% | 0.631 | S | S | * | * | trans | 69.5 | 161.7 | 146 | -71.5 | 156.1 | -166.5 | 162.1 | 0 | 114.8 | ||||
| 1730 | Y | 26.2 | Very low | 26.6 | Very low | 170 Ų | 170 | 120.1 Ų | 120.1 | 67% | 0.667 | 64% | 0.636 | S | S | * | * | cis | -153.9 | 162.6 | -8.2 | -114.2 | -28.8 | 0 | 0 | 0 | 105.8 | ||||
| 1731 | R | 24.1 | Very low | 26.7 | Very low | 183 Ų | 183 | 119.4 Ų | 119.4 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | cis | -153.2 | 173.9 | -5.7 | -166.8 | 162.4 | -179.3 | 151.1 | -0.8 | 107.7 | ||||
| 1732 | S | 25.4 | Very low | 26.7 | Very low | 80 Ų | 80 | 114.4 Ų | 114.4 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | trans | -57.7 | 137.9 | 157.2 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1733 | E | 29.7 | Very low | 26.6 | Very low | 186 Ų | 186 | 118.7 Ų | 118.7 | 87% | 0.869 | 67% | 0.666 | S | S | * | * | trans | -163.1 | 136.1 | 145 | -110.3 | 167.7 | -127 | 0 | 0 | 107.6 | ||||
| 1734 | D | 25.6 | Very low | 26.6 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 65% | 0.652 | 68% | 0.679 | S | S | * | * | cis | -155.6 | -179 | -43 | -131.1 | -49.2 | 0 | 0 | 0 | 109.8 | ||||
| 1735 | Y | 25.8 | Very low | 26.4 | Very low | 198 Ų | 198 | 120.7 Ų | 120.7 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | trans | -52.4 | 143.8 | 169.4 | -83.2 | -112.3 | 0 | 0 | 0 | 113.8 | ||||
| 1736 | A | 27 | Very low | 26.3 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | trans | -146.2 | 88 | 149.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1737 | D | 24.6 | Very low | 26.2 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | trans | -58.2 | 148.3 | 162.9 | -70 | -78.6 | 0 | 0 | 0 | 110.8 | ||||
| 1738 | C | 25.9 | Very low | 26.2 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | trans | -137.1 | 73.1 | 156.4 | -144.7 | 0 | 0 | 0 | 0 | 111.7 | I1740 | C1738-I1740 PolarHBondContact O-N 3.46Š| ||
| 1739 | S | 23.9 | Very low | 26.3 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -64.7 | 107 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1740 | I | 25.8 | Very low | 26.5 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -145.1 | 134.4 | 156.2 | -75.6 | 106.3 | 0 | 0 | 0 | 105.8 | C1738 | C1738-I1740 PolarHBondContact O-N 3.46Š| ||
| 1741 | G | 26.4 | Very low | 26.5 | Very low | 74 Ų | 74 | 132.2 Ų | 132.2 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | cis | 115.3 | 106.4 | 7.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1742 | G | 27.3 | Very low | 27 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 81% | 0.814 | 74% | 0.743 | S | S | * | * | trans | 163.2 | 104.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1743 | N | 25.4 | Very low | 27 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | -62.8 | 153.8 | 167.8 | -53.5 | -54.9 | 0 | 0 | 0 | 111.3 | ||||
| 1744 | S | 25.8 | Very low | 26.8 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | 158.7 | 177.8 | 103.7 | 60.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1745 | S | 27.4 | Very low | 26.8 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | 56.3 | 79.8 | 162.6 | 60.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1746 | S | 26.3 | Very low | 26.7 | Very low | 95 Ų | 95 | 121.8 Ų | 121.8 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | 45.4 | 131.6 | 107.5 | 70.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 1747 | N | 26.5 | Very low | 26.5 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | 84.6 | 139.6 | 131.2 | -71.2 | -2.2 | 0 | 0 | 0 | 122.7 | ||||
| 1748 | H | 28.2 | Very low | 26.5 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | trans | 74.2 | 111 | 148.2 | -75.3 | -57.8 | 0 | 0 | 0 | 121.4 | ||||
| 1749 | H | 28.3 | Very low | 26.6 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 65% | 0.648 | 75% | 0.745 | S | S | * | * | trans | 67.3 | 139.6 | 141.8 | -56.4 | -56.7 | 0 | 0 | 0 | 118.9 | ||||
| 1750 | H | 30.3 | Very low | 26.6 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | cis | -155 | 130.7 | -9.6 | -121.2 | -42.7 | 0 | 0 | 0 | 111.3 | ||||
| 1751 | Y | 27.6 | Very low | 26.6 | Very low | 212 Ų | 212 | 128.1 Ų | 128.1 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | trans | -61.2 | 165.6 | 146.1 | -95.9 | -95.1 | 0 | 0 | 0 | 110.2 | ||||
| 1752 | P | 34 | Very low | 26.6 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | cis | -140.1 | 172.6 | 8.3 | 37 | -17.8 | 0 | 0 | 0 | 117.5 | ||||
| 1753 | G | 26 | Very low | 26.7 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | 108.9 | 164.2 | 120.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1754 | V | 25.7 | Very low | 26.9 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | trans | 64.3 | 100.9 | 169.1 | -168.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1755 | V | 24.3 | Very low | 27 | Very low | 125 Ų | 125 | 134 Ų | 134 | 76% | 0.758 | 72% | 0.724 | S | S | * | * | 74.8 | 136.8 | 58.4 | 179.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1756 | V | 23.8 | Very low | 27 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 62% | 0.618 | 72% | 0.723 | S | S | * | * | trans | 67 | 100.9 | 170.6 | 159.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 1757 | R | 23.7 | Very low | 26.9 | Very low | 214 Ų | 214 | 138 Ų | 138 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | 52.9 | 110.6 | 96 | -65.5 | 176.1 | 176.6 | 171.3 | -2.7 | 115 | |||||
| 1758 | S | 23.7 | Very low | 26.8 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | -175.1 | 126.8 | 103.3 | 32.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1759 | I | 28.4 | Very low | 26.7 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | 51.8 | 81.4 | 79.8 | -49.2 | 169 | 0 | 0 | 0 | 112.3 | |||||
| 1760 | S | 24 | Very low | 26.7 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | -141.4 | 103.1 | 129 | -146.8 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 1761 | K | 25.4 | Very low | 26.6 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 70% | 0.7 | 73% | 0.73 | S | S | * | * | 58 | 126.7 | 92 | -66.6 | 179.9 | 178.3 | -173.3 | 0 | 112.6 | |||||
| 1762 | R | 26.2 | Very low | 26.6 | Very low | 224 Ų | 224 | 134.1 Ų | 134.1 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | trans | 150 | 128 | 136.3 | -82.8 | -168.3 | -177.1 | 133.3 | 1.3 | 108.5 | ||||
| 1763 | D | 30.4 | Very low | 26.4 | Very low | 126 Ų | 126 | 133 Ų | 133 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | cis | -143.8 | 160.8 | -12.9 | -85.4 | -48.7 | 0 | 0 | 0 | 106.3 | ||||
| 1764 | S | 28.2 | Very low | 26.7 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | 25.6 | 131.8 | 91.2 | -54.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1765 | P | 29.4 | Very low | 27.2 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | cis | -116.1 | -178.1 | 45.6 | 8.9 | 17 | 0 | 0 | 0 | 112.2 | F1767 | P1765-F1767 HydrophobicContact CB-CD2 4.45Š| ||
| 1766 | N | 26.1 | Very low | 27.6 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | cis | 56.7 | 164.6 | 47.4 | -34.6 | -54.8 | 0 | 0 | 0 | 112.2 | ||||
| 1767 | F | 24.8 | Very low | 28.2 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 68% | 0.68 | 72% | 0.715 | S | S | * | * | cis | -124.8 | 148.9 | -4.1 | -86.1 | -92.7 | 0 | 0 | 0 | 107.3 | P1765 | P1765-F1767 HydrophobicContact CB-CD2 4.45Š| ||
| 1768 | L | 24.7 | Very low | 28.7 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 72% | 0.723 | 71% | 0.705 | S | S | * | * | 69.1 | 150 | 63 | -132 | 165.4 | 0 | 0 | 0 | 113.3 | |||||
| 1769 | M | 26.4 | Very low | 29.2 | Very low | 158 Ų | 158 | 136 Ų | 136 | 78% | 0.778 | 71% | 0.709 | S | S | * | * | trans | 78 | 151.7 | 175.9 | -40.8 | -162.1 | -72.9 | 0 | 0 | 113.9 | ||||
| 1770 | I | 27.1 | Very low | 29.4 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 73% | 0.728 | 70% | 0.702 | S | S | * | * | cis | -136.9 | 129.8 | 10.3 | -57.6 | 163.1 | 0 | 0 | 0 | 106.8 | ||||
| 1771 | N | 27.8 | Very low | 29.9 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | -175.5 | 137.9 | 87.3 | -122 | -31.5 | 0 | 0 | 0 | 111.9 | |||||
| 1772 | N | 28.3 | Very low | 30.1 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | 38.6 | 133.9 | 142.9 | -58.2 | -13.6 | 0 | 0 | 0 | 121.4 | ||||
| 1773 | S | 31 | Very low | 30.5 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | cis | -166.8 | 150.6 | 11.9 | 45.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1774 | N | 31.3 | Very low | 30.5 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | trans | 70.2 | 134.3 | 157.1 | -60 | -7.2 | 0 | 0 | 0 | 117.8 | ||||
| 1775 | H | 35.3 | Very low | 30.8 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 67% | 0.667 | 72% | 0.715 | S | S | * | * | cis | -154.3 | 143.3 | 1 | -100.7 | -59.8 | 0 | 0 | 0 | 112.7 | ||||
| 1776 | H | 34.6 | Very low | 31 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 63% | 0.625 | 72% | 0.717 | S | S | * | * | trans | 61 | 115.6 | 147.6 | -66.1 | -60.6 | 0 | 0 | 0 | 126.1 | ||||
| 1777 | H | 35.7 | Very low | 31.3 | Very low | 162 Ų | 162 | 129 Ų | 129 | 75% | 0.75 | 73% | 0.725 | S | S | * | * | trans | 65.5 | 146.2 | 134.2 | -59.8 | -51 | 0 | 0 | 0 | 123 | ||||
| 1778 | S | 34.3 | Very low | 31.8 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | cis | -175.7 | 142.6 | -18.7 | 53.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1779 | N | 33.9 | Very low | 32.4 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | 69.7 | 150.8 | 146.3 | -65 | -1.1 | 0 | 0 | 0 | 121.9 | ||||
| 1780 | S | 33.3 | Very low | 32.9 | Very low | 86 Ų | 86 | 122.5 Ų | 122.5 | 60% | 0.601 | 72% | 0.719 | S | S | * | * | cis | -179.7 | 157.7 | -13.9 | 55.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1781 | Y | 32.8 | Very low | 33.3 | Very low | 210 Ų | 210 | 121.3 Ų | 121.3 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | 71.4 | 164.4 | 153 | -63 | -55.7 | 0 | 0 | 0 | 122.8 | ||||
| 1782 | T | 31.4 | Very low | 33.7 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | -173.2 | 145.7 | -68.4 | 34.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1783 | G | 32.9 | Very low | 34 | Very low | 72 Ų | 72 | 119.3 Ų | 119.3 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | trans | 87.5 | 169.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1784 | S | 32 | Very low | 34 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | cis | -175.8 | 142.4 | -19.8 | -84.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1785 | S | 33 | Very low | 33.8 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | trans | 61.3 | 160.3 | 155.7 | 36.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1786 | S | 33.3 | Very low | 33.4 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | cis | -173.4 | 153.7 | -20.8 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1787 | S | 34.4 | Very low | 33.1 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | trans | 60 | 139.6 | 148.8 | 63.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1788 | G | 35 | Very low | 32.8 | Very low | 74 Ų | 74 | 116.9 Ų | 116.9 | 76% | 0.763 | 71% | 0.707 | S | S | * | * | trans | 153.8 | 79.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1789 | N | 36 | Very low | 32.3 | Very low | 145 Ų | 145 | 117 Ų | 117 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | trans | 6.8 | 146 | 144.6 | -75.4 | 38.2 | 0 | 0 | 0 | 120.5 | ||||
| 1790 | N | 36.9 | Very low | 32 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 52% | 0.519 | 71% | 0.708 | S | S | . | * | cis | 171.5 | 154.7 | 43.3 | -122.8 | 8.6 | 0 | 0 | 0 | 112.1 | ||||
| 1791 | N | 36.7 | Very low | 31.6 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | trans | 64.7 | 144.9 | 140.9 | -64.6 | -0.9 | 0 | 0 | 0 | 119.9 | ||||
| 1792 | N | 35.8 | Very low | 31.5 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | cis | -173 | 169.6 | 9 | -123.3 | -5.6 | 0 | 0 | 0 | 113.8 | ||||
| 1793 | N | 33.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 118.6 Ų | 118.6 | 60% | 0.599 | 71% | 0.713 | S | S | * | * | trans | 80.6 | 113.1 | 140 | -73.7 | -3.2 | 0 | 0 | 0 | 124 | ||||
| 1794 | N | 31.2 | Very low | 31.5 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | 86.4 | 146.9 | 114.3 | -64.5 | -4 | 0 | 0 | 0 | 122.1 | |||||
| 1795 | T | 28.1 | Very low | 31.4 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | cis | -170.3 | 132.1 | -14.2 | 31.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1796 | T | 27.7 | Very low | 31.3 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 69% | 0.693 | 70% | 0.702 | S | S | * | * | trans | 65.4 | 160.9 | 133.4 | 69.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1797 | K | 27.6 | Very low | 31 | Very low | 197 Ų | 197 | 122.1 Ų | 122.1 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | trans | 90.4 | 144.1 | 160 | -65.2 | 177.6 | -177.3 | 178.7 | 0 | 116.7 | ||||
| 1798 | A | 28.4 | Very low | 30.6 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 65% | 0.653 | 69% | 0.692 | S | S | * | * | cis | -168.1 | 123.6 | -12.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1799 | S | 24.8 | Very low | 30.2 | Very low | 87 Ų | 87 | 123.3 Ų | 123.3 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | 76.5 | 156 | 90.8 | 82.1 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1800 | Y | 27.5 | Very low | 29.7 | Very low | 209 Ų | 209 | 124 Ų | 124 | 82% | 0.82 | 69% | 0.692 | S | S | * | * | trans | 78.9 | 144.9 | 179.8 | -54.5 | -70.5 | 0 | 0 | 0 | 116.7 | ||||
| 1801 | D | 24.1 | Very low | 29.4 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | cis | -168 | -169.8 | -28.9 | -143.6 | -47.7 | 0 | 0 | 0 | 109.4 | ||||
| 1802 | L | 32.3 | Very low | 29.3 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | trans | 96.1 | 81.3 | 164.2 | -53.9 | 178.6 | 0 | 0 | 0 | 119.6 | ||||
| 1803 | S | 29 | Very low | 29.4 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | trans | -72.1 | -170.6 | 145 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1804 | P | 35.1 | Very low | 29.4 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 60% | 0.604 | 71% | 0.714 | S | S | * | * | cis | -140 | -144.1 | 9 | 51.1 | -30.3 | 0 | 0 | 0 | 111.9 | I1806 | P1804-I1806 HydrophobicContact CB-CD1 3.66Å; P1804-I1806 HydrophobicContact CB-CG1 3.88Å; P1804-I1806 HydrophobicContact CG-CD1 3.73Å; P1804-I1806 HydrophobicContact CG-CG1 4.42Å | ||
| 1805 | P | 29.6 | Very low | 29.1 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | cis | -94.3 | 151.5 | 7.3 | 38.2 | -34.4 | 0 | 0 | 0 | 114.8 | ||||
| 1806 | I | 29.4 | Very low | 29.1 | Very low | 131 Ų | 131 | 132 Ų | 132 | 67% | 0.672 | 71% | 0.713 | S | S | * | * | cis | 80 | 131 | 40.1 | -73.6 | 167.8 | 0 | 0 | 0 | 112.6 | P1804 | P1804-I1806 HydrophobicContact CB-CD1 3.66Å; P1804-I1806 HydrophobicContact CB-CG1 3.88Å; P1804-I1806 HydrophobicContact CG-CD1 3.73Å; P1804-I1806 HydrophobicContact CG-CG1 4.42Å | ||
| 1807 | L | 28.2 | Very low | 29.1 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 63% | 0.634 | 72% | 0.715 | S | S | * | * | cis | -158.2 | -176.8 | -10.2 | -103.5 | 166.1 | 0 | 0 | 0 | 105.9 | F1810 | L1807-F1810 HydrophobicContact CD1-CE2 3.62Å; L1807-F1810 HydrophobicContact CD1-CZ 4.01Å; L1807-F1810 HydrophobicContact CD2-CE2 4.37Å | ||
| 1808 | S | 26.2 | Very low | 29.2 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | cis | -154.8 | 151.4 | 19.7 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1809 | S | 26.1 | Very low | 29.3 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | trans | -141.8 | 126.9 | 130.1 | 59.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 1810 | F | 25.7 | Very low | 29.7 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | trans | -125.8 | 137.1 | -167.3 | -103 | -69.1 | 0 | 0 | 0 | 110.7 | L1807 | L1807-F1810 HydrophobicContact CD1-CE2 3.62Å; L1807-F1810 HydrophobicContact CD1-CZ 4.01Å; L1807-F1810 HydrophobicContact CD2-CE2 4.37Å | ||
| 1811 | H | 31.1 | Very low | 29.9 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | 167.1 | 142.7 | 140.2 | -90.7 | -65.2 | 0 | 0 | 0 | 107.2 | ||||
| 1812 | H | 33.8 | Very low | 30.4 | Very low | 142 Ų | 142 | 127 Ų | 127 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | cis | -145.8 | 152.4 | 11.3 | -107.9 | -68.1 | 0 | 0 | 0 | 111.6 | ||||
| 1813 | H | 37.2 | Very low | 30.5 | Very low | 147 Ų | 147 | 124 Ų | 124 | 68% | 0.681 | 71% | 0.71 | S | S | * | * | trans | 41.1 | 147.7 | 147.7 | -74.3 | -40.7 | 0 | 0 | 0 | 122.3 | ||||
| 1814 | P | 33.4 | Very low | 30.7 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 75% | 0.747 | 71% | 0.709 | S | S | * | * | cis | -86.6 | -179.4 | 18.3 | -10.3 | 30.2 | 0 | 0 | 0 | 114.4 | ||||
| 1815 | Q | 26.7 | Very low | 30.5 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | cis | -159.4 | 172.4 | -30.5 | -123.4 | -170.1 | 97.9 | 0 | 0 | 110.3 | ||||
| 1816 | Q | 27.2 | Very low | 30.7 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | trans | 33.2 | 114.7 | 153.9 | -69.8 | -165.5 | 50 | 0 | 0 | 122.6 | ||||
| 1817 | Q | 27 | Very low | 30.7 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | trans | 97.6 | 118.8 | 137.8 | -64.8 | -179.8 | 45.5 | 0 | 0 | 122 | ||||
| 1818 | T | 29.8 | Very low | 30.8 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | 76.9 | 95.3 | 141.3 | 52.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1819 | S | 31.2 | Very low | 31.2 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | 74.2 | 111.3 | 116.6 | 66.5 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1820 | S | 32.3 | Very low | 31.5 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | 101.8 | 130.2 | 105.7 | 71.9 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1821 | I | 33.4 | Very low | 31.9 | Very low | 165 Ų | 165 | 121.1 Ų | 121.1 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | 97 | 114.6 | 144.4 | -66.6 | 151 | 0 | 0 | 0 | 122.5 | ||||
| 1822 | G | 33.6 | Very low | 32.1 | Very low | 66 Ų | 66 | 116.5 Ų | 116.5 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | trans | 92.7 | 149.2 | 134.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1823 | S | 33.6 | Very low | 32.1 | Very low | 101 Ų | 101 | 112.3 Ų | 112.3 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | cis | -171.4 | 145.4 | -8.3 | -85.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1824 | T | 33 | Very low | 31.9 | Very low | 116 Ų | 116 | 111.7 Ų | 111.7 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | trans | 63 | 146 | 142.1 | 57.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1825 | D | 32.4 | Very low | 31.9 | Very low | 118 Ų | 118 | 110.3 Ų | 110.3 | 63% | 0.631 | 73% | 0.728 | S | S | * | * | cis | -171 | 163.8 | -3.4 | -107.3 | -10.3 | 0 | 0 | 0 | 118 | ||||
| 1826 | F | 32.4 | Very low | 32.2 | Very low | 163 Ų | 163 | 108.9 Ų | 108.9 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | 51.1 | 112.2 | 148.3 | -69.9 | -56.9 | 0 | 0 | 0 | 123.4 | ||||
| 1827 | T | 30.4 | Very low | 32.4 | Very low | 120 Ų | 120 | 107.8 Ų | 107.8 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | 75 | 156.4 | 80.6 | 59.4 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1828 | S | 30.8 | Very low | 32.5 | Very low | 116 Ų | 116 | 108.9 Ų | 108.9 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | cis | -176.8 | 169.5 | -14.6 | 50.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1829 | G | 33.3 | Very low | 32.7 | Very low | 83 Ų | 83 | 108.3 Ų | 108.3 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | cis | 140.7 | 103.4 | -4.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1830 | G | 33.3 | Very low | 32.7 | Very low | 86 Ų | 86 | 108.4 Ų | 108.4 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | 141.9 | 155.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1831 | G | 33.6 | Very low | 32.8 | Very low | 82 Ų | 82 | 108.9 Ų | 108.9 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | cis | 169.3 | 148.8 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1832 | G | 34.6 | Very low | 32.7 | Very low | 66 Ų | 66 | 105.6 Ų | 105.6 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | trans | 82.4 | 152.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1833 | G | 34.1 | Very low | 32.7 | Very low | 53 Ų | 53 | 108.1 Ų | 108.1 | 55% | 0.546 | 77% | 0.771 | S | S | . | * | cis | 172.2 | 156.6 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1834 | D | 34.3 | Very low | 32.6 | Very low | 134 Ų | 134 | 108.5 Ų | 108.5 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 53 | 105.7 | 159 | -60.6 | -37.6 | 0 | 0 | 0 | 121.9 | N1280 | N1280-D1834 PolarHBondContact O-N 2.96Š| ||
| 1835 | A | 32 | Very low | 32.6 | Very low | 86 Ų | 86 | 108 Ų | 108 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | 47.4 | 167.9 | 118.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1836 | P | 34.7 | Very low | 32.6 | Very low | 114 Ų | 114 | 107.2 Ų | 107.2 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | cis | -137 | -169 | 2.1 | 45.1 | -27.9 | 0 | 0 | 0 | 116 | ||||
| 1837 | S | 31.5 | Very low | 32.6 | Very low | 110 Ų | 110 | 102.6 Ų | 102.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 89.6 | 136.1 | 156.4 | 73.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1838 | S | 28.9 | Very low | 32.8 | Very low | 181 Ų | 181 | 101 Ų | 101 | 100% | 1.266 | 80% | 0.803 | S | S | * | * | trans | 50.1 | 0 | -170.2 | 69.9 | 0 | 0 | 0 | 0 | 117 |
Retrieved 1,838 of 1,838 residues in 2322.9 ms
(Link to these results)