| 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 | C | 52.4 | Low | 64.1 | Low | 139 Ų | 139 | 130.4 Ų | 130.4 | 94% | 0.939 | 65% | 0.652 | S | S | * | * | 0 | 127.4 | 0 | -66.9 | 0 | 0 | 0 | 0 | 110.1 | C3 E4 | C1-C3 PolarHBondContact O-N 3.49Å; C1-E4 PolarHBondContact O-N 3.16Å; C1-E4 VanDerWaalsContact O-N 3.15Å | |||
| 2 | P | 54.4 | Low | 63.7 | Low | 108 Ų | 108 | 126.1 Ų | 126.1 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -59.3 | -19.7 | -176.7 | 22.1 | -31.9 | 0 | 0 | 0 | 113.9 | E4 L6 | P2-E4 PolarHBondContact O-N 3.49Å; P2-L6 PolarHBondContact O-N 3.15Å |
| 3 | C | 56.7 | Low | 63.2 | Low | 97 Ų | 97 | 122.9 Ų | 122.9 | 66% | 0.655 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.1 | -28.5 | 177.9 | -51.9 | 0 | 0 | 0 | 0 | 114 | C1 R7 | C1-C3 PolarHBondContact O-N 3.49Å; C3-R7 PolarHBondContact O-N 3.35Å |
| 4 | E | 66.5 | Low | 62.8 | Low | 135 Ų | 135 | 118.1 Ų | 118.1 | 63% | 0.631 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.4 | -34.3 | -176.8 | -138.1 | -170.5 | 162.4 | 0 | 0 | 111.9 | C1 P2 R7 K8 | C1-E4 PolarHBondContact O-N 3.16Å; C1-E4 VanDerWaalsContact O-N 3.15Å; P2-E4 PolarHBondContact O-N 3.49Å; E4-R7 PolarHBondContact O-N 3.22Å; E4-K8 PolarHBondContact O-N 3.44Å; E4-K8 VanDerWaalsContact O-N 3.11Å |
| 5 | Y | 61.1 | Low | 62.1 | Low | 187 Ų | 187 | 116.5 Ų | 116.5 | 73% | 0.733 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.1 | -41.7 | 177.1 | -154.1 | -91.9 | 0 | 0 | 0 | 111.5 | R7 K8 F9 | Y5-R7 VanDerWaalsContact C-N 3.34Å; Y5-R7 PolarHBondContact O-N 3.48Å; Y5-K8 PolarHBondContact O-N 3.13Å; Y5-F9 WeakPolarHBondContact O-CB 3.23Å; Y5-F9 PolarHBondContact O-N 2.87Å |
| 6 | L | 65.1 | Low | 61.5 | Low | 108 Ų | 108 | 117.9 Ų | 117.9 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.5 | -39.5 | 174.2 | -106.6 | 142 | 0 | 0 | 0 | 112.2 | P2 F9 I10 | P2-L6 PolarHBondContact O-N 3.15Å; L6-F9 PolarHBondContact O-N 2.94Å; L6-I10 HydrophobicContact CD2-CD1 4.23Å; L6-I10 WeakPolarHBondContact O-CB 3.25Å; L6-I10 WeakPolarHBondContact O-CD1 3.35Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.08Å; L6-I10 PolarHBondContact O-N 3.45Å |
| 7 | R | 70.8 | Confident | 61 | Low | 187 Ų | 187 | 120.7 Ų | 120.7 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.6 | -41 | 177.9 | -155.4 | 178.2 | -142.6 | -164.3 | 5 | 112.3 | C3 E4 Y5 N11 | C3-R7 PolarHBondContact O-N 3.35Å; E4-R7 PolarHBondContact O-N 3.22Å; Y5-R7 VanDerWaalsContact C-N 3.34Å; Y5-R7 PolarHBondContact O-N 3.48Å; R7-N11 WeakPolarHBondContact O-CB 3.23Å; R7-N11 PolarHBondContact O-N 3.27Å; R7-N11 PolarHBondContact O-ND2 3.41Å |
| 8 | K | 72.4 | Confident | 60.2 | Low | 145 Ų | 145 | 123.6 Ų | 123.6 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.4 | -43.2 | 171.9 | -91.7 | 178.7 | 175.8 | 172.4 | 0 | 111.6 | E4 Y5 N11 T12 | E4-K8 PolarHBondContact O-N 3.44Å; E4-K8 VanDerWaalsContact O-N 3.11Å; Y5-K8 PolarHBondContact O-N 3.13Å; K8-N11 PolarHBondContact O-N 2.98Å; K8-T12 WeakPolarHBondContact O-CB 3.5Å; K8-T12 PolarHBondContact O-N 3.34Å; K8-T12 PolarHBondContact O-OG1 3.2Å |
| 9 | F | 72 | Confident | 59.6 | Low | 126 Ų | 126 | 127.9 Ų | 127.9 | 55% | 0.553 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.5 | -46 | 179.4 | -165.9 | -102.6 | 0 | 0 | 0 | 112.2 | Y5 L6 N11 T12 L13 | Y5-F9 WeakPolarHBondContact O-CB 3.23Å; Y5-F9 PolarHBondContact O-N 2.87Å; L6-F9 PolarHBondContact O-N 2.94Å; F9-N11 PolarHBondContact O-N 3.41Å; F9-T12 PolarHBondContact O-N 3.45Å; F9-L13 HydrophobicContact CD1-CD1 3.73Å; F9-L13 HydrophobicContact CE1-CD1 3.24Å; F9-L13 HydrophobicContact CE2-CD1 4.49Å; F9-L13 HydrophobicContact CZ-CD1 3.69Å; F9-L13 WeakPolarHBondContact O-CB 3.38Å; F9-L13 PolarHBondContact O-N 3.04Å |
| 10 | I | 70.3 | Confident | 58.8 | Low | 98 Ų | 98 | 123.8 Ų | 123.8 | 50% | 0.503 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64 | -41.9 | 177.7 | -66.6 | 165.1 | 0 | 0 | 0 | 111.2 | L6 T12 L13 A14 | L6-I10 HydrophobicContact CD2-CD1 4.23Å; L6-I10 WeakPolarHBondContact O-CB 3.25Å; L6-I10 WeakPolarHBondContact O-CD1 3.35Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.08Å; L6-I10 PolarHBondContact O-N 3.45Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 3.42Å; I10-L13 PolarHBondContact O-N 3.34Å; I10-A14 WeakPolarHBondContact O-CB 3.31Å; I10-A14 PolarHBondContact O-N 3.43Å |
| 11 | N | 63.6 | Low | 58.4 | Low | 104 Ų | 104 | 124.9 Ų | 124.9 | 56% | 0.556 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.6 | -34.8 | 177.8 | -72 | -12.1 | 0 | 0 | 0 | 112.2 | R7 K8 F9 D15 | R7-N11 WeakPolarHBondContact O-CB 3.23Å; R7-N11 PolarHBondContact O-N 3.27Å; R7-N11 PolarHBondContact O-ND2 3.41Å; K8-N11 PolarHBondContact O-N 2.98Å; F9-N11 PolarHBondContact O-N 3.41Å; N11-D15 WeakPolarHBondContact O-CB 3.41Å; N11-D15 PolarHBondContact O-N 3.45Å; N11-D15 VanDerWaalsContact O-N 3.07Å |
| 12 | T | 59 | Low | 58.3 | Low | 79 Ų | 79 | 124.7 Ų | 124.7 | 49% | 0.485 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70 | -36 | 174.7 | -44.8 | 0 | 0 | 0 | 0 | 111.2 | K8 F9 I10 D15 H16 | K8-T12 WeakPolarHBondContact O-CB 3.5Å; K8-T12 PolarHBondContact O-N 3.34Å; K8-T12 PolarHBondContact O-OG1 3.2Å; F9-T12 PolarHBondContact O-N 3.45Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 3.42Å; T12-D15 PolarHBondContact O-N 3.04Å; T12-H16 PolarHBondContact O-N 3.18Å; T12-H16 VanDerWaalsContact O-N 3.11Å; T12-H16 PolarHBondContact O-ND1 3.15Å |
| 13 | L | 56.7 | Low | 57.9 | Low | 85 Ų | 85 | 129.8 Ų | 129.8 | 45% | 0.445 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -69.8 | -38.4 | 175.6 | -122.7 | 123 | 0 | 0 | 0 | 112.5 | F9 I10 H16 H17 | F9-L13 HydrophobicContact CD1-CD1 3.73Å; F9-L13 HydrophobicContact CE1-CD1 3.24Å; F9-L13 HydrophobicContact CE2-CD1 4.49Å; F9-L13 HydrophobicContact CZ-CD1 3.69Å; F9-L13 WeakPolarHBondContact O-CB 3.38Å; F9-L13 PolarHBondContact O-N 3.04Å; I10-L13 PolarHBondContact O-N 3.34Å; L13-H16 PolarHBondContact O-N 3Å; L13-H17 PolarHBondContact O-N 3.29Å; L13-H17 VanDerWaalsContact O-N 3.12Å |
| 14 | A | 58.4 | Low | 57.5 | Low | 55 Ų | 55 | 127.8 Ų | 127.8 | 46% | 0.455 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.7 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I10 H16 H17 H18 | I10-A14 WeakPolarHBondContact O-CB 3.31Å; I10-A14 PolarHBondContact O-N 3.43Å; A14-H16 VanDerWaalsContact C-N 3.35Å; A14-H17 PolarHBondContact O-N 2.89Å; A14-H18 PolarHBondContact O-N 3.47Å |
| 15 | D | 51.6 | Low | 56.3 | Low | 94 Ų | 94 | 123.8 Ų | 123.8 | 50% | 0.503 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.8 | -34.1 | 175.3 | -163.4 | 60.4 | 0 | 0 | 0 | 112.1 | N11 T12 H17 H18 | N11-D15 WeakPolarHBondContact O-CB 3.41Å; N11-D15 PolarHBondContact O-N 3.45Å; N11-D15 VanDerWaalsContact O-N 3.07Å; T12-D15 PolarHBondContact O-N 3.04Å; D15-H17 VanDerWaalsContact C-N 3.34Å; D15-H18 PolarHBondContact O-N 3.06Å |
| 16 | H | 52.9 | Low | 56 | Low | 140 Ų | 140 | 119 Ų | 119 | 65% | 0.648 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.5 | -24.6 | 172.4 | -82.4 | 34.4 | 0 | 0 | 0 | 114 | T12 L13 A14 H18 | T12-H16 PolarHBondContact O-N 3.18Å; T12-H16 VanDerWaalsContact O-N 3.11Å; T12-H16 PolarHBondContact O-ND1 3.15Å; L13-H16 PolarHBondContact O-N 3Å; A14-H16 VanDerWaalsContact C-N 3.35Å; H16-H18 VanDerWaalsContact C-N 3.31Å |
| 17 | H | 52.3 | Low | 55.7 | Low | 165 Ų | 165 | 118.2 Ų | 118.2 | 76% | 0.764 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.9 | -12.7 | 175.2 | -109.5 | -78.7 | 0 | 0 | 0 | 113.5 | L13 A14 D15 | L13-H17 PolarHBondContact O-N 3.29Å; L13-H17 VanDerWaalsContact O-N 3.12Å; A14-H17 PolarHBondContact O-N 2.89Å; D15-H17 VanDerWaalsContact C-N 3.34Å |
| 18 | H | 48.2 | Very low | 55 | Low | 172 Ų | 172 | 118.1 Ų | 118.1 | 80% | 0.796 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -103 | -7.2 | -178.9 | -106.5 | -59.5 | 0 | 0 | 0 | 114.8 | A14 D15 H16 G20 | A14-H18 PolarHBondContact O-N 3.47Å; D15-H18 PolarHBondContact O-N 3.06Å; H16-H18 VanDerWaalsContact C-N 3.31Å; H18-G20 PolarHBondContact O-N 3.39Å |
| 19 | R | 47.5 | Very low | 54.4 | Low | 206 Ų | 206 | 116.2 Ų | 116.2 | 78% | 0.777 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -95.2 | 96.7 | 177.1 | -96.2 | -179.4 | 159.7 | 175.6 | -3.9 | 111.7 | ||
| 20 | G | 44.3 | Very low | 53.9 | Low | 46 Ų | 46 | 116.8 Ų | 116.8 | 47% | 0.474 | 63% | 0.626 | S | S | . | * | trans | 72.6 | 90.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H18 D22 | H18-G20 PolarHBondContact O-N 3.39Å; G20-D22 PolarHBondContact O-N 3.04Å | ||
| 21 | T | 50.2 | Low | 53.5 | Low | 147 Ų | 147 | 116 Ų | 116 | 90% | 0.902 | 63% | 0.626 | S | S | * | * | trans | -65.2 | 59.4 | 150.2 | 45.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 22 | D | 49.7 | Very low | 53.5 | Low | 134 Ų | 134 | 115.5 Ų | 115.5 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | trans | -118.9 | 16.9 | -174 | -67.5 | -37.8 | 0 | 0 | 0 | 113.3 | G20 | G20-D22 PolarHBondContact O-N 3.04Š| ||
| 23 | F | 46 | Very low | 53.6 | Low | 215 Ų | 215 | 117.2 Ų | 117.2 | 94% | 0.943 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -119.5 | 89.1 | 167.3 | -80.8 | -82.6 | 0 | 0 | 0 | 110.7 | ||
| 24 | G | 48.5 | Very low | 53.7 | Low | 56 Ų | 56 | 115.6 Ų | 115.6 | 58% | 0.577 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 109.3 | 58 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 25 | G | 40.8 | Very low | 53.7 | Low | 51 Ų | 51 | 120.2 Ų | 120.2 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | trans | -50.9 | 159.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | P27 W28 | G25-P27 WeakPolarHBondContact O-CD 3.42Å; G25-W28 PolarHBondContact O-N 2.89Å | ||
| 26 | S | 56.3 | Low | 54.2 | Low | 85 Ų | 85 | 118.8 Ų | 118.8 | 59% | 0.594 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -31.9 | -33.2 | 177.9 | -66.8 | 0 | 0 | 0 | 0 | 118.1 | W28 L29 H30 | S26-W28 PolarHBondContact O-N 3.39Å; S26-L29 PolarHBondContact O-N 3.37Å; S26-H30 PolarHBondContact O-CD2 2.89Å; S26-H30 VanDerWaalsContact O-CD2 3.25Å; S26-H30 PolarHBondContact O-N 2.97Å |
| 27 | P | 58.4 | Low | 54.5 | Low | 92 Ų | 92 | 116.2 Ų | 116.2 | 60% | 0.597 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -58.1 | -37.5 | 178.4 | -28.6 | 37.2 | 0 | 0 | 0 | 115.3 | G25 H30 V31 | G25-P27 WeakPolarHBondContact O-CD 3.42Å; P27-H30 PolarHBondContact O-N 2.83Å; P27-V31 WeakPolarHBondContact O-CG2 3.17Å; P27-V31 PolarHBondContact O-N 3.31Å |
| 28 | W | 55.9 | Low | 55.3 | Low | 186 Ų | 186 | 111.7 Ų | 111.7 | 71% | 0.705 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.9 | -34.7 | -176.5 | -108.6 | 83.1 | 0 | 0 | 0 | 112.8 | G25 S26 V31 I32 | G25-W28 PolarHBondContact O-N 2.89Å; S26-W28 PolarHBondContact O-N 3.39Å; W28-V31 PolarHBondContact O-N 3Å; W28-I32 HydrophobicContact CE3-CD1 3.95Å; W28-I32 HydrophobicContact CE3-CG1 4.23Å; W28-I32 WeakPolarHBondContact O-CD1 3.36Å; W28-I32 VanDerWaalsContact O-CG1 3.25Å; W28-I32 WeakPolarHBondContact O-CG1 3.44Å; W28-I32 PolarHBondContact O-N 3.46Å |
| 29 | L | 60.3 | Low | 56.6 | Low | 105 Ų | 105 | 110.7 Ų | 110.7 | 55% | 0.55 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.2 | -38.5 | 173.2 | -73.9 | 169.1 | 0 | 0 | 0 | 111.7 | S26 V31 I32 I33 | S26-L29 PolarHBondContact O-N 3.37Å; L29-V31 VanDerWaalsContact C-N 3.32Å; L29-V31 PolarHBondContact O-N 2.92Å; L29-I32 PolarHBondContact O-N 3.11Å; L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.28Å; L29-I33 WeakPolarHBondContact O-CG1 3.28Å; L29-I33 PolarHBondContact O-N 3.49Å |
| 30 | H | 61.1 | Low | 58 | Low | 138 Ų | 138 | 107.8 Ų | 107.8 | 64% | 0.639 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.1 | -40.8 | 171.5 | -83.3 | -73.7 | 0 | 0 | 0 | 111.9 | S26 P27 I33 A34 | S26-H30 PolarHBondContact O-CD2 2.89Å; S26-H30 VanDerWaalsContact O-CD2 3.25Å; S26-H30 PolarHBondContact O-N 2.97Å; P27-H30 PolarHBondContact O-N 2.83Å; H30-I33 PolarHBondContact O-N 2.81Å; H30-A34 WeakPolarHBondContact O-CB 3.33Å; H30-A34 PolarHBondContact O-N 2.63Å |
| 31 | V | 62.6 | Low | 59.5 | Low | 81 Ų | 81 | 109.4 Ų | 109.4 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.8 | -47.2 | 174.4 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | P27 W28 L29 I33 A34 F35 | P27-V31 WeakPolarHBondContact O-CG2 3.17Å; P27-V31 PolarHBondContact O-N 3.31Å; W28-V31 PolarHBondContact O-N 3Å; L29-V31 VanDerWaalsContact C-N 3.32Å; L29-V31 PolarHBondContact O-N 2.92Å; V31-I33 VanDerWaalsContact C-N 3.29Å; V31-I33 PolarHBondContact O-N 2.99Å; V31-A34 PolarHBondContact O-N 3.43Å; V31-F35 WeakPolarHBondContact O-CB 3.33Å; V31-F35 PolarHBondContact O-N 2.91Å |
| 32 | I | 62.6 | Low | 60.9 | Low | 94 Ų | 94 | 106.8 Ų | 106.8 | 48% | 0.482 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.9 | -32.3 | -179.9 | -66.9 | 162.6 | 0 | 0 | 0 | 112.5 | W28 L29 P36 | W28-I32 HydrophobicContact CE3-CD1 3.95Å; W28-I32 HydrophobicContact CE3-CG1 4.23Å; W28-I32 WeakPolarHBondContact O-CD1 3.36Å; W28-I32 VanDerWaalsContact O-CG1 3.25Å; W28-I32 WeakPolarHBondContact O-CG1 3.44Å; W28-I32 PolarHBondContact O-N 3.46Å; L29-I32 PolarHBondContact O-N 3.11Å; I32-P36 WeakPolarHBondContact O-CD 3.49Å; I32-P36 WeakPolarHBondContact O-CG 3.36Å |
| 33 | I | 61.8 | Low | 62.6 | Low | 114 Ų | 114 | 102.9 Ų | 102.9 | 59% | 0.585 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -88.1 | -36.1 | 179.6 | -63.6 | 167.2 | 0 | 0 | 0 | 112.3 | L29 H30 V31 P36 T37 | L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.28Å; L29-I33 WeakPolarHBondContact O-CG1 3.28Å; L29-I33 PolarHBondContact O-N 3.49Å; H30-I33 PolarHBondContact O-N 2.81Å; V31-I33 VanDerWaalsContact C-N 3.29Å; V31-I33 PolarHBondContact O-N 2.99Å; I33-P36 WeakPolarHBondContact O-CD 3.32Å; I33-T37 PolarHBondContact O-OG1 3.36Å |
| 34 | A | 58.6 | Low | 64.2 | Low | 51 Ų | 51 | 96.6 Ų | 96.6 | 42% | 0.421 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.8 | -37.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H30 V31 T37 S38 | H30-A34 WeakPolarHBondContact O-CB 3.33Å; H30-A34 PolarHBondContact O-N 2.63Å; V31-A34 PolarHBondContact O-N 3.43Å; A34-T37 WeakPolarHBondContact O-CB 3.26Å; A34-T37 PolarHBondContact O-N 3.49Å; A34-T37 VanDerWaalsContact O-N 3.16Å; A34-S38 PolarHBondContact O-N 2.91Å; A34-S38 PolarHBondContact O-OG 2.9Å |
| 35 | F | 58 | Low | 65.9 | Low | 153 Ų | 153 | 99.3 Ų | 99.3 | 67% | 0.671 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | -175.2 | -152.4 | -91.1 | 0 | 0 | 0 | 113.9 | V31 T37 S38 Y39 | V31-F35 WeakPolarHBondContact O-CB 3.33Å; V31-F35 PolarHBondContact O-N 2.91Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 3.26Å; F35-S38 PolarHBondContact O-N 3.31Å; F35-Y39 WeakPolarHBondContact O-CB 3.14Å; F35-Y39 PolarHBondContact O-N 3.18Å |
| 36 | P | 61.8 | Low | 68.1 | Low | 63 Ų | 63 | 104.9 Ų | 104.9 | 41% | 0.409 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.1 | -32.8 | 174 | -19.5 | 31.6 | 0 | 0 | 0 | 112.9 | I32 I33 K40 | I32-P36 WeakPolarHBondContact O-CD 3.49Å; I32-P36 WeakPolarHBondContact O-CG 3.36Å; I33-P36 WeakPolarHBondContact O-CD 3.32Å; P36-K40 WeakPolarHBondContact O-CB 3.31Å; P36-K40 VanDerWaalsContact O-CG 3.27Å; P36-K40 WeakPolarHBondContact O-CG 3.39Å; P36-K40 PolarHBondContact O-N 3.47Å |
| 37 | T | 60.8 | Low | 69.6 | Low | 86 Ų | 86 | 104.5 Ų | 104.5 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.8 | -46.3 | 179.3 | -53.1 | 0 | 0 | 0 | 0 | 110 | I33 A34 F35 K40 V41 | I33-T37 PolarHBondContact O-OG1 3.36Å; A34-T37 WeakPolarHBondContact O-CB 3.26Å; A34-T37 PolarHBondContact O-N 3.49Å; A34-T37 VanDerWaalsContact O-N 3.16Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 3.26Å; T37-K40 PolarHBondContact O-N 2.9Å; T37-V41 VanDerWaalsContact O-CG2 3.32Å; T37-V41 WeakPolarHBondContact O-CG2 3.03Å; T37-V41 PolarHBondContact O-N 3.46Å; T37-V41 VanDerWaalsContact O-N 3.08Å |
| 38 | S | 67.2 | Low | 71 | Confident | 71 Ų | 71 | 103.9 Ų | 103.9 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 174.8 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | A34 F35 K40 V41 V42 | A34-S38 PolarHBondContact O-N 2.91Å; A34-S38 PolarHBondContact O-OG 2.9Å; F35-S38 PolarHBondContact O-N 3.31Å; S38-K40 PolarHBondContact O-N 2.93Å; S38-V41 PolarHBondContact O-N 3.38Å; S38-V42 VanDerWaalsContact O-CG2 3.31Å; S38-V42 WeakPolarHBondContact O-CG2 3.46Å; S38-V42 PolarHBondContact O-N 3.33Å |
| 39 | Y | 76.6 | Confident | 72.6 | Confident | 150 Ų | 150 | 102.8 Ų | 102.8 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 177.6 | -179.7 | -115.1 | 0 | 0 | 0 | 112.4 | F35 V41 V42 I43 | F35-Y39 WeakPolarHBondContact O-CB 3.14Å; F35-Y39 PolarHBondContact O-N 3.18Å; Y39-V41 VanDerWaalsContact C-N 3.32Å; Y39-V41 PolarHBondContact O-N 2.84Å; Y39-V42 PolarHBondContact O-N 3.44Å; Y39-I43 HydrophobicContact CD1-CD1 3.45Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.45Å; Y39-I43 HydrophobicContact CD1-CG1 4.35Å; Y39-I43 HydrophobicContact CD2-CD1 4.18Å; Y39-I43 HydrophobicContact CD2-CG1 4.23Å; Y39-I43 HydrophobicContact CE1-CD1 3.04Å; Y39-I43 HydrophobicContact CE1-CG1 4.01Å; Y39-I43 HydrophobicContact CE2-CD1 3.83Å; Y39-I43 HydrophobicContact CE2-CG1 3.85Å; Y39-I43 HydrophobicContact CG-CD1 4.01Å; Y39-I43 HydrophobicContact CG-CG1 4.45Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.37Å; Y39-I43 PolarHBondContact O-N 3.05Å |
| 40 | K | 76.1 | Confident | 73.9 | Confident | 145 Ų | 145 | 102.2 Ų | 102.2 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.6 | -39.7 | 174.2 | -78.2 | -178.7 | 178.9 | 178.6 | 0 | 112.2 | P36 T37 S38 T44 | P36-K40 WeakPolarHBondContact O-CB 3.31Å; P36-K40 VanDerWaalsContact O-CG 3.27Å; P36-K40 WeakPolarHBondContact O-CG 3.39Å; P36-K40 PolarHBondContact O-N 3.47Å; T37-K40 PolarHBondContact O-N 2.9Å; S38-K40 PolarHBondContact O-N 2.93Å; K40-T44 VanDerWaalsContact O-CB 3.31Å; K40-T44 WeakPolarHBondContact O-CB 3.37Å; K40-T44 PolarHBondContact O-N 3.35Å; K40-T44 PolarHBondContact O-OG1 3.24Å |
| 41 | V | 76.6 | Confident | 75.1 | Confident | 81 Ų | 81 | 103 Ų | 103 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | T37 S38 Y39 T44 L45 | T37-V41 VanDerWaalsContact O-CG2 3.32Å; T37-V41 WeakPolarHBondContact O-CG2 3.03Å; T37-V41 PolarHBondContact O-N 3.46Å; T37-V41 VanDerWaalsContact O-N 3.08Å; S38-V41 PolarHBondContact O-N 3.38Å; Y39-V41 VanDerWaalsContact C-N 3.32Å; Y39-V41 PolarHBondContact O-N 2.84Å; V41-T44 PolarHBondContact O-N 3.41Å; V41-L45 HydrophobicContact CG1-CD1 3.88Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 WeakPolarHBondContact O-CB 3.29Å; V41-L45 VanDerWaalsContact O-CG 3.31Å; V41-L45 WeakPolarHBondContact O-CG 3.34Å; V41-L45 PolarHBondContact O-N 2.73Å |
| 42 | V | 80.4 | Confident | 76.1 | Confident | 92 Ų | 92 | 103.2 Ų | 103.2 | 56% | 0.558 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 178.7 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | S38 Y39 T44 L45 W46 | S38-V42 VanDerWaalsContact O-CG2 3.31Å; S38-V42 WeakPolarHBondContact O-CG2 3.46Å; S38-V42 PolarHBondContact O-N 3.33Å; Y39-V42 PolarHBondContact O-N 3.44Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 2.89Å; V42-L45 PolarHBondContact O-N 2.77Å; V42-W46 WeakPolarHBondContact O-CB 3.22Å; V42-W46 PolarHBondContact O-N 3.24Å |
| 43 | I | 84.1 | Confident | 77 | Confident | 52 Ų | 52 | 100.8 Ų | 100.8 | 27% | 0.267 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 174.8 | -67 | 162.3 | 0 | 0 | 0 | 110.7 | Y39 L45 W46 I47 | Y39-I43 HydrophobicContact CD1-CD1 3.45Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.45Å; Y39-I43 HydrophobicContact CD1-CG1 4.35Å; Y39-I43 HydrophobicContact CD2-CD1 4.18Å; Y39-I43 HydrophobicContact CD2-CG1 4.23Å; Y39-I43 HydrophobicContact CE1-CD1 3.04Å; Y39-I43 HydrophobicContact CE1-CG1 4.01Å; Y39-I43 HydrophobicContact CE2-CD1 3.83Å; Y39-I43 HydrophobicContact CE2-CG1 3.85Å; Y39-I43 HydrophobicContact CG-CD1 4.01Å; Y39-I43 HydrophobicContact CG-CG1 4.45Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.37Å; Y39-I43 PolarHBondContact O-N 3.05Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 2.82Å; I43-W46 PolarHBondContact O-N 2.91Å; I43-I47 HydrophobicContact CG2-CD1 3.59Å; I43-I47 HydrophobicContact CG2-CG1 4.14Å; I43-I47 WeakPolarHBondContact O-CB 3.3Å; I43-I47 VanDerWaalsContact O-CG1 3.27Å; I43-I47 WeakPolarHBondContact O-CG1 3.41Å; I43-I47 PolarHBondContact O-N 3.4Å |
| 44 | T | 80.8 | Confident | 77.9 | Confident | 82 Ų | 82 | 99.5 Ų | 99.5 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | -178.4 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | K40 V41 V42 I47 V48 | K40-T44 VanDerWaalsContact O-CB 3.31Å; K40-T44 WeakPolarHBondContact O-CB 3.37Å; K40-T44 PolarHBondContact O-N 3.35Å; K40-T44 PolarHBondContact O-OG1 3.24Å; V41-T44 PolarHBondContact O-N 3.41Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 2.89Å; T44-I47 PolarHBondContact O-N 3.25Å; T44-V48 VanDerWaalsContact O-CG2 3.29Å; T44-V48 WeakPolarHBondContact O-CG2 3.42Å; T44-V48 PolarHBondContact O-N 3.46Å |
| 45 | L | 83.1 | Confident | 79 | Confident | 114 Ų | 114 | 102.1 Ų | 102.1 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 174.6 | -71.7 | 172.1 | 0 | 0 | 0 | 111.9 | V41 V42 I43 V48 Y49 | V41-L45 HydrophobicContact CG1-CD1 3.88Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 WeakPolarHBondContact O-CB 3.29Å; V41-L45 VanDerWaalsContact O-CG 3.31Å; V41-L45 WeakPolarHBondContact O-CG 3.34Å; V41-L45 PolarHBondContact O-N 2.73Å; V42-L45 PolarHBondContact O-N 2.77Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 2.82Å; L45-V48 PolarHBondContact O-N 2.99Å; L45-Y49 VanDerWaalsContact O-CB 3.28Å; L45-Y49 WeakPolarHBondContact O-CB 3.43Å; L45-Y49 PolarHBondContact O-N 3.34Å |
| 46 | W | 86.6 | Confident | 79.8 | Confident | 167 Ų | 167 | 102.2 Ų | 102.2 | 63% | 0.633 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 177.3 | -173 | 69 | 0 | 0 | 0 | 112.1 | V42 I43 Y49 L50 | V42-W46 WeakPolarHBondContact O-CB 3.22Å; V42-W46 PolarHBondContact O-N 3.24Å; I43-W46 PolarHBondContact O-N 2.91Å; W46-Y49 PolarHBondContact O-N 2.75Å; W46-L50 HydrophobicContact CZ2-CD1 4.31Å; W46-L50 WeakPolarHBondContact O-CB 3.35Å; W46-L50 PolarHBondContact O-N 3.29Å |
| 47 | I | 88.6 | Confident | 80.2 | Confident | 77 Ų | 77 | 103.4 Ų | 103.4 | 40% | 0.395 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -51 | 174.4 | -70.8 | 171.5 | 0 | 0 | 0 | 109.9 | I43 T44 Y49 L50 W51 | I43-I47 HydrophobicContact CG2-CD1 3.59Å; I43-I47 HydrophobicContact CG2-CG1 4.14Å; I43-I47 WeakPolarHBondContact O-CB 3.3Å; I43-I47 VanDerWaalsContact O-CG1 3.27Å; I43-I47 WeakPolarHBondContact O-CG1 3.41Å; I43-I47 PolarHBondContact O-N 3.4Å; T44-I47 PolarHBondContact O-N 3.25Å; I47-Y49 VanDerWaalsContact C-N 3.29Å; I47-Y49 PolarHBondContact O-N 3.49Å; I47-L50 PolarHBondContact O-N 3.49Å; I47-W51 PolarHBondContact O-N 2.83Å |
| 48 | V | 88.6 | Confident | 80.7 | Confident | 80 Ų | 80 | 103.5 Ų | 103.5 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 178.9 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | T44 L45 W51 V52 | T44-V48 VanDerWaalsContact O-CG2 3.29Å; T44-V48 WeakPolarHBondContact O-CG2 3.42Å; T44-V48 PolarHBondContact O-N 3.46Å; L45-V48 PolarHBondContact O-N 2.99Å; V48-W51 PolarHBondContact O-N 3.42Å; V48-V52 HydrophobicContact CG1-CG2 4.31Å; V48-V52 WeakPolarHBondContact O-CB 3.46Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-V52 PolarHBondContact O-N 3.16Å |
| 49 | Y | 88.8 | Confident | 80.4 | Confident | 163 Ų | 163 | 106 Ų | 106 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 176.8 | -179.2 | -99.3 | 0 | 0 | 0 | 112.5 | L45 W46 I47 W51 V52 S53 | L45-Y49 VanDerWaalsContact O-CB 3.28Å; L45-Y49 WeakPolarHBondContact O-CB 3.43Å; L45-Y49 PolarHBondContact O-N 3.34Å; W46-Y49 PolarHBondContact O-N 2.75Å; I47-Y49 VanDerWaalsContact C-N 3.29Å; I47-Y49 PolarHBondContact O-N 3.49Å; Y49-W51 VanDerWaalsContact C-N 3.34Å; Y49-W51 PolarHBondContact O-N 3.35Å; Y49-V52 PolarHBondContact O-N 3.45Å; Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.33Å; Y49-S53 PolarHBondContact O-N 3.38Å; Y49-S53 PolarHBondContact O-OG 3.39Å |
| 50 | L | 87.6 | Confident | 79.3 | Confident | 93 Ų | 93 | 109.2 Ų | 109.2 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 176.7 | -164.1 | 106.4 | 0 | 0 | 0 | 111 | W46 I47 S53 L54 | W46-L50 HydrophobicContact CZ2-CD1 4.31Å; W46-L50 WeakPolarHBondContact O-CB 3.35Å; W46-L50 PolarHBondContact O-N 3.29Å; I47-L50 PolarHBondContact O-N 3.49Å; L50-S53 PolarHBondContact O-N 2.95Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.44Å |
| 51 | W | 86.3 | Confident | 78.2 | Confident | 154 Ų | 154 | 105.8 Ų | 105.8 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.2 | -46.5 | 176.1 | -86 | 99.3 | 0 | 0 | 0 | 112.3 | I47 V48 Y49 S53 L54 L55 | I47-W51 PolarHBondContact O-N 2.83Å; V48-W51 PolarHBondContact O-N 3.42Å; Y49-W51 VanDerWaalsContact C-N 3.34Å; Y49-W51 PolarHBondContact O-N 3.35Å; W51-S53 VanDerWaalsContact C-N 3.3Å; W51-S53 PolarHBondContact O-N 2.85Å; W51-L54 PolarHBondContact O-N 2.87Å; W51-L55 HydrophobicContact CE3-CD1 4.48Å; W51-L55 VanDerWaalsContact O-CB 3.28Å; W51-L55 WeakPolarHBondContact O-CB 3.29Å; W51-L55 WeakPolarHBondContact O-CD1 3.41Å; W51-L55 WeakPolarHBondContact O-CG 3.34Å; W51-L55 PolarHBondContact O-N 2.85Å |
| 52 | V | 84.1 | Confident | 77 | Confident | 86 Ų | 86 | 110.3 Ų | 110.3 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 177 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | V48 Y49 L55 K56 | V48-V52 HydrophobicContact CG1-CG2 4.31Å; V48-V52 WeakPolarHBondContact O-CB 3.46Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-V52 PolarHBondContact O-N 3.16Å; Y49-V52 PolarHBondContact O-N 3.45Å; V52-L55 PolarHBondContact O-N 3.31Å; V52-K56 VanDerWaalsContact O-CB 3.24Å; V52-K56 WeakPolarHBondContact O-CB 3.33Å; V52-K56 PolarHBondContact O-N 2.89Å |
| 53 | S | 81.5 | Confident | 75.4 | Confident | 43 Ų | 43 | 111.1 Ų | 111.1 | 30% | 0.301 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.9 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | Y49 L50 W51 K56 T57 | Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.33Å; Y49-S53 PolarHBondContact O-N 3.38Å; Y49-S53 PolarHBondContact O-OG 3.39Å; L50-S53 PolarHBondContact O-N 2.95Å; W51-S53 VanDerWaalsContact C-N 3.3Å; W51-S53 PolarHBondContact O-N 2.85Å; S53-K56 PolarHBondContact O-N 3.5Å; S53-T57 WeakPolarHBondContact O-CG2 3.24Å; S53-T57 PolarHBondContact O-N 3.21Å; S53-T57 PolarHBondContact O-OG1 2.81Å |
| 54 | L | 80.1 | Confident | 73.8 | Confident | 87 Ų | 87 | 111.5 Ų | 111.5 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.1 | -47.8 | 174.8 | -167.8 | 92.2 | 0 | 0 | 0 | 111.3 | L50 W51 K56 T57 I58 | L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.44Å; W51-L54 PolarHBondContact O-N 2.87Å; L54-K56 VanDerWaalsContact C-N 3.29Å; L54-K56 PolarHBondContact O-N 3.46Å; L54-T57 PolarHBondContact O-N 3.29Å; L54-T57 PolarHBondContact O-OG1 2.89Å; L54-I58 HydrophobicContact CD2-CD1 4.01Å; L54-I58 HydrophobicContact CG-CD1 3.97Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.26Å; L54-I58 PolarHBondContact O-N 3.43Å |
| 55 | L | 80.9 | Confident | 72.3 | Confident | 105 Ų | 105 | 112.9 Ų | 112.9 | 55% | 0.55 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.3 | -41.9 | 176 | -87.3 | 147.5 | 0 | 0 | 0 | 111.3 | W51 V52 I58 F59 | W51-L55 HydrophobicContact CE3-CD1 4.48Å; W51-L55 VanDerWaalsContact O-CB 3.28Å; W51-L55 WeakPolarHBondContact O-CB 3.29Å; W51-L55 WeakPolarHBondContact O-CD1 3.41Å; W51-L55 WeakPolarHBondContact O-CG 3.34Å; W51-L55 PolarHBondContact O-N 2.85Å; V52-L55 PolarHBondContact O-N 3.31Å; L55-I58 PolarHBondContact O-N 2.93Å; L55-F59 VanDerWaalsContact O-CB 3.27Å; L55-F59 WeakPolarHBondContact O-CB 3.37Å; L55-F59 PolarHBondContact O-N 2.82Å |
| 56 | K | 74.5 | Confident | 70.8 | Confident | 156 Ų | 156 | 115.2 Ų | 115.2 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.2 | -44.6 | 176.4 | -167.7 | 172.4 | 174.4 | 101.2 | 0 | 111.3 | V52 S53 L54 I58 F59 W60 | V52-K56 VanDerWaalsContact O-CB 3.24Å; V52-K56 WeakPolarHBondContact O-CB 3.33Å; V52-K56 PolarHBondContact O-N 2.89Å; S53-K56 PolarHBondContact O-N 3.5Å; L54-K56 VanDerWaalsContact C-N 3.29Å; L54-K56 PolarHBondContact O-N 3.46Å; K56-I58 PolarHBondContact O-N 3.21Å; K56-F59 PolarHBondContact O-N 3.38Å; K56-W60 VanDerWaalsContact O-CB 3.26Å; K56-W60 WeakPolarHBondContact O-CB 3.31Å; K56-W60 PolarHBondContact O-N 2.88Å |
| 57 | T | 70.5 | Confident | 69.2 | Low | 88 Ų | 88 | 109.3 Ų | 109.3 | 54% | 0.54 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -41.2 | 175.5 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | S53 L54 S61 | S53-T57 WeakPolarHBondContact O-CG2 3.24Å; S53-T57 PolarHBondContact O-N 3.21Å; S53-T57 PolarHBondContact O-OG1 2.81Å; L54-T57 PolarHBondContact O-N 3.29Å; L54-T57 PolarHBondContact O-OG1 2.89Å; T57-S61 WeakPolarHBondContact O-CB 3.28Å; T57-S61 PolarHBondContact O-N 3.4Å |
| 58 | I | 70.9 | Confident | 67.5 | Low | 87 Ų | 87 | 109.8 Ų | 109.8 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.1 | -44.1 | 177.7 | -67 | 167.1 | 0 | 0 | 0 | 110.5 | L54 L55 K56 S61 R62 | L54-I58 HydrophobicContact CD2-CD1 4.01Å; L54-I58 HydrophobicContact CG-CD1 3.97Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.26Å; L54-I58 PolarHBondContact O-N 3.43Å; L55-I58 PolarHBondContact O-N 2.93Å; K56-I58 PolarHBondContact O-N 3.21Å; I58-S61 PolarHBondContact O-N 2.87Å; I58-S61 PolarHBondContact O-OG 3.49Å; I58-R62 PolarHBondContact O-N 3.3Å |
| 59 | F | 60.9 | Low | 65.9 | Low | 124 Ų | 124 | 108.7 Ų | 108.7 | 54% | 0.544 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.6 | -35.7 | -178.3 | -151.4 | -101.7 | 0 | 0 | 0 | 112.2 | L55 K56 R62 N63 | L55-F59 VanDerWaalsContact O-CB 3.27Å; L55-F59 WeakPolarHBondContact O-CB 3.37Å; L55-F59 PolarHBondContact O-N 2.82Å; K56-F59 PolarHBondContact O-N 3.38Å; F59-R62 PolarHBondContact O-N 3.4Å; F59-R62 VanDerWaalsContact O-N 3.16Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.27Å; F59-N63 PolarHBondContact O-N 2.88Å |
| 60 | W | 53.3 | Low | 64.4 | Low | 217 Ų | 217 | 104.8 Ų | 104.8 | 82% | 0.822 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.7 | -37.2 | 172.5 | -141.7 | 55.5 | 0 | 0 | 0 | 111.7 | K56 R62 N63 G64 | K56-W60 VanDerWaalsContact O-CB 3.26Å; K56-W60 WeakPolarHBondContact O-CB 3.31Å; K56-W60 PolarHBondContact O-N 2.88Å; W60-R62 PolarHBondContact O-N 2.93Å; W60-N63 PolarHBondContact O-N 3.44Å; W60-G64 PolarHBondContact O-N 3.21Å |
| 61 | S | 54 | Low | 63 | Low | 73 Ų | 73 | 105 Ų | 105 | 51% | 0.51 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.8 | -22 | 172.8 | 85.6 | 0 | 0 | 0 | 0 | 113.6 | T57 I58 H65 | T57-S61 WeakPolarHBondContact O-CB 3.28Å; T57-S61 PolarHBondContact O-N 3.4Å; I58-S61 PolarHBondContact O-N 2.87Å; I58-S61 PolarHBondContact O-OG 3.49Å; S61-H65 PolarHBondContact O-CD2 2.97Å |
| 62 | R | 50.7 | Low | 61.5 | Low | 176 Ų | 176 | 104.6 Ų | 104.6 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -96.7 | -26.3 | -178.6 | -162.5 | 143.3 | 76.2 | -179.8 | 6.5 | 113.7 | I58 F59 W60 | I58-R62 PolarHBondContact O-N 3.3Å; F59-R62 PolarHBondContact O-N 3.4Å; F59-R62 VanDerWaalsContact O-N 3.16Å; W60-R62 PolarHBondContact O-N 2.93Å |
| 63 | N | 47.9 | Very low | 60.3 | Low | 109 Ų | 109 | 105.4 Ų | 105.4 | 58% | 0.583 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -95.1 | -10 | -178.9 | -75.4 | 10.8 | 0 | 0 | 0 | 114.5 | F59 W60 | F59-N63 WeakPolarHBondContact CE1-ND2 3.27Å; F59-N63 PolarHBondContact O-N 2.88Å; W60-N63 PolarHBondContact O-N 3.44Å |
| 64 | G | 49.6 | Very low | 59.3 | Low | 60 Ų | 60 | 111.3 Ų | 111.3 | 62% | 0.619 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -101.5 | 3.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | W60 | W60-G64 PolarHBondContact O-N 3.21Š|
| 65 | H | 50.9 | Low | 58.2 | Low | 111 Ų | 111 | 109.7 Ų | 109.7 | 51% | 0.514 | 57% | 0.571 | S | S | . | * | trans | -113.5 | 19.6 | -164 | -98.6 | -26.3 | 0 | 0 | 0 | 116.7 | S61 T69 | S61-H65 PolarHBondContact O-CD2 2.97Å; H65-T69 PolarHBondContact O-OG1 2.86Å | ||
| 66 | D | 49.6 | Very low | 57.2 | Low | 163 Ų | 163 | 112.1 Ų | 112.1 | 87% | 0.872 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -105.7 | 20.6 | -173.2 | -76.6 | -13.2 | 0 | 0 | 0 | 115.8 | ||
| 67 | G | 53.1 | Low | 56.4 | Low | 44 Ų | 44 | 112.1 Ų | 112.1 | 45% | 0.454 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -154.5 | -40.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 68 | S | 52.8 | Low | 55.8 | Low | 86 Ų | 86 | 111.3 Ų | 111.3 | 60% | 0.601 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -75.4 | -34.5 | -172.9 | 175.3 | 0 | 0 | 0 | 0 | 113.6 | Q72 | S68-Q72 WeakPolarHBondContact O-CB 3.36Å; S68-Q72 WeakPolarHBondContact O-CG 3.41Å; S68-Q72 PolarHBondContact O-N 3.22Å; S68-Q72 VanDerWaalsContact O-N 3.11Å |
| 69 | T | 55 | Low | 55.4 | Low | 58 Ų | 58 | 112.1 Ų | 112.1 | 36% | 0.356 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.1 | -33 | -178 | 31.9 | 0 | 0 | 0 | 0 | 112.9 | H65 Q73 | H65-T69 PolarHBondContact O-OG1 2.86Å; T69-Q73 WeakPolarHBondContact O-CB 3.25Å; T69-Q73 PolarHBondContact O-N 2.85Å |
| 70 | D | 58.6 | Low | 55.2 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 43% | 0.433 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.6 | -40.8 | 176.6 | -169.4 | 64.1 | 0 | 0 | 0 | 111.6 | Q73 R74 | D70-Q73 PolarHBondContact O-N 3.4Å; D70-R74 WeakPolarHBondContact O-CB 3.3Å; D70-R74 PolarHBondContact O-N 3.45Å; D70-R74 IonicContact OD2-CZ 3.38Å; D70-R74 IonicContact OD2-NE 3.73Å; D70-R74 IonicContact OD2-NH2 2.77Å; D70-R74 PolarHBondContact OD2-NH2 2.84Å |
| 71 | V | 57.3 | Low | 55.4 | Low | 98 Ų | 98 | 112 Ų | 112 | 59% | 0.594 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.4 | -46.1 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | Q73 R74 A75 | V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 3.27Å; V71-R74 PolarHBondContact O-N 2.85Å; V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 3.23Å |
| 72 | Q | 54.9 | Low | 55.4 | Low | 144 Ų | 144 | 117.9 Ų | 117.9 | 67% | 0.673 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.6 | -40.6 | 176 | -73.7 | -98.9 | -39.7 | 0 | 0 | 111.6 | S68 W76 | S68-Q72 WeakPolarHBondContact O-CB 3.36Å; S68-Q72 WeakPolarHBondContact O-CG 3.41Å; S68-Q72 PolarHBondContact O-N 3.22Å; S68-Q72 VanDerWaalsContact O-N 3.11Å; Q72-W76 VanDerWaalsContact O-CB 3.28Å; Q72-W76 WeakPolarHBondContact O-CB 3.3Å; Q72-W76 PolarHBondContact O-N 3.47Å |
| 73 | Q | 58.4 | Low | 55.5 | Low | 104 Ų | 104 | 114.6 Ų | 114.6 | 49% | 0.486 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.5 | -30.5 | 179.6 | -166.5 | 153.6 | -41.2 | 0 | 0 | 112.7 | T69 D70 V71 R77 | T69-Q73 WeakPolarHBondContact O-CB 3.25Å; T69-Q73 PolarHBondContact O-N 2.85Å; D70-Q73 PolarHBondContact O-N 3.4Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 3.27Å; Q73-R77 WeakPolarHBondContact O-CB 3.37Å; Q73-R77 WeakPolarHBondContact O-CG 3.31Å; Q73-R77 PolarHBondContact O-N 2.91Å |
| 74 | R | 61.2 | Low | 55.9 | Low | 167 Ų | 167 | 114.4 Ų | 114.4 | 63% | 0.63 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.6 | -43.3 | 171.8 | -170.7 | 175.4 | -65.2 | 173.8 | 4.2 | 111.5 | D70 V71 W76 R77 S78 | D70-R74 WeakPolarHBondContact O-CB 3.3Å; D70-R74 PolarHBondContact O-N 3.45Å; D70-R74 IonicContact OD2-CZ 3.38Å; D70-R74 IonicContact OD2-NE 3.73Å; D70-R74 IonicContact OD2-NH2 2.77Å; D70-R74 PolarHBondContact OD2-NH2 2.84Å; V71-R74 PolarHBondContact O-N 2.85Å; R74-W76 VanDerWaalsContact C-N 3.34Å; R74-R77 PolarHBondContact O-N 2.89Å; R74-S78 PolarHBondContact O-N 3.43Å |
| 75 | A | 58.2 | Low | 56.2 | Low | 52 Ų | 52 | 113.5 Ų | 113.5 | 43% | 0.43 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.5 | -39.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | V71 S78 N79 | V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 3.23Å; A75-S78 PolarHBondContact O-N 3.32Å; A75-S78 PolarHBondContact O-OG 2.98Å; A75-N79 PolarHBondContact O-N 3.23Å |
| 76 | W | 58.4 | Low | 56.1 | Low | 157 Ų | 157 | 114.1 Ų | 114.1 | 60% | 0.595 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.1 | -40.1 | 176.2 | -168.8 | 83.8 | 0 | 0 | 0 | 112.5 | Q72 R74 R80 | Q72-W76 VanDerWaalsContact O-CB 3.28Å; Q72-W76 WeakPolarHBondContact O-CB 3.3Å; Q72-W76 PolarHBondContact O-N 3.47Å; R74-W76 VanDerWaalsContact C-N 3.34Å; W76-R80 WeakPolarHBondContact O-CB 3.27Å; W76-R80 PolarHBondContact O-N 2.84Å |
| 77 | R | 57.7 | Low | 56.1 | Low | 155 Ų | 155 | 114.8 Ų | 114.8 | 59% | 0.585 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.1 | -35.8 | 174.5 | -79.7 | -175.9 | -174.3 | 150.4 | 0.7 | 112.7 | Q73 R74 R81 | Q73-R77 WeakPolarHBondContact O-CB 3.37Å; Q73-R77 WeakPolarHBondContact O-CG 3.31Å; Q73-R77 PolarHBondContact O-N 2.91Å; R74-R77 PolarHBondContact O-N 2.89Å; R77-R81 PolarHBondContact O-N 3.45Å |
| 78 | S | 58.9 | Low | 55.9 | Low | 72 Ų | 72 | 117.2 Ų | 117.2 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.1 | -39.8 | 177.9 | 85.4 | 0 | 0 | 0 | 0 | 112.1 | R74 A75 R80 R81 R82 | R74-S78 PolarHBondContact O-N 3.43Å; A75-S78 PolarHBondContact O-N 3.32Å; A75-S78 PolarHBondContact O-OG 2.98Å; S78-R80 VanDerWaalsContact C-N 3.33Å; S78-R80 PolarHBondContact O-N 3.21Å; S78-R81 PolarHBondContact O-N 2.87Å; S78-R82 PolarHBondContact O-N 3.38Å |
| 79 | N | 61.1 | Low | 55.8 | Low | 103 Ų | 103 | 120 Ų | 120 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.4 | -31.4 | 176.7 | -105.6 | -31.3 | 0 | 0 | 0 | 112.9 | A75 R82 Q83 | A75-N79 PolarHBondContact O-N 3.23Å; N79-R82 PolarHBondContact O-N 3.46Å; N79-Q83 PolarHBondContact O-N 3.38Å |
| 80 | R | 57 | Low | 55.6 | Low | 135 Ų | 135 | 121.9 Ų | 121.9 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.7 | -42.3 | 176.1 | -170.5 | 165.8 | -176.7 | 166.9 | 3.1 | 112.4 | W76 S78 Q83 E84 | W76-R80 WeakPolarHBondContact O-CB 3.27Å; W76-R80 PolarHBondContact O-N 2.84Å; S78-R80 VanDerWaalsContact C-N 3.33Å; S78-R80 PolarHBondContact O-N 3.21Å; R80-Q83 PolarHBondContact O-N 2.85Å; R80-E84 WeakPolarHBondContact CG-OE1 3.47Å; R80-E84 IonicContact NE-OE1 3.51Å; R80-E84 WeakPolarHBondContact O-CG 3.27Å; R80-E84 PolarHBondContact O-N 3.38Å |
| 81 | R | 58.8 | Low | 55.1 | Low | 203 Ų | 203 | 125.8 Ų | 125.8 | 77% | 0.766 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66 | -38.5 | 174.8 | -70.8 | -169.9 | -175.2 | -173.9 | 1.8 | 112.6 | R77 S78 E84 G85 | R77-R81 PolarHBondContact O-N 3.45Å; S78-R81 PolarHBondContact O-N 2.87Å; R81-E84 PolarHBondContact O-N 2.87Å; R81-G85 PolarHBondContact O-N 2.93Å |
| 82 | R | 54.3 | Low | 54.7 | Low | 198 Ų | 198 | 129 Ų | 129 | 75% | 0.747 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66 | -37.3 | 173.3 | -89.8 | -168.6 | -179.8 | -171.9 | 0.8 | 113 | S78 N79 G85 L86 | S78-R82 PolarHBondContact O-N 3.38Å; N79-R82 PolarHBondContact O-N 3.46Å; R82-G85 PolarHBondContact O-N 3.38Å; R82-L86 PolarHBondContact O-N 2.86Å |
| 83 | Q | 52.8 | Low | 54.6 | Low | 106 Ų | 106 | 128.4 Ų | 128.4 | 50% | 0.495 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.2 | -32.1 | 174.7 | -83.1 | -137.5 | -0.5 | 0 | 0 | 113.3 | N79 R80 G85 L86 R87 | N79-Q83 PolarHBondContact O-N 3.38Å; R80-Q83 PolarHBondContact O-N 2.85Å; Q83-G85 VanDerWaalsContact C-N 3.32Å; Q83-L86 PolarHBondContact O-N 2.79Å; Q83-R87 VanDerWaalsContact O-CB 3.25Å; Q83-R87 WeakPolarHBondContact O-CB 3.31Å; Q83-R87 VanDerWaalsContact O-CG 3.23Å; Q83-R87 WeakPolarHBondContact O-CG 3.46Å; Q83-R87 PolarHBondContact O-N 3.45Å |
| 84 | E | 54.8 | Low | 53.6 | Low | 106 Ų | 106 | 133 Ų | 133 | 50% | 0.495 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66 | -34.8 | 174.8 | -76.5 | 163 | -174.4 | 0 | 0 | 111.5 | R80 R81 | R80-E84 WeakPolarHBondContact CG-OE1 3.47Å; R80-E84 IonicContact NE-OE1 3.51Å; R80-E84 WeakPolarHBondContact O-CG 3.27Å; R80-E84 PolarHBondContact O-N 3.38Å; R81-E84 PolarHBondContact O-N 2.87Å |
| 85 | G | 55.8 | Low | 52.9 | Low | 41 Ų | 41 | 135.2 Ų | 135.2 | 42% | 0.423 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -73.7 | -26.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R81 R82 Q83 S88 | R81-G85 PolarHBondContact O-N 2.93Å; R82-G85 PolarHBondContact O-N 3.38Å; Q83-G85 VanDerWaalsContact C-N 3.32Å; G85-S88 PolarHBondContact O-OG 3.1Å; G85-S88 VanDerWaalsContact O-OG 3.13Å |
| 86 | L | 49.9 | Very low | 52.2 | Low | 124 Ų | 124 | 143.9 Ų | 143.9 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -86.5 | -26.5 | 173.9 | -76.3 | 166.4 | 0 | 0 | 0 | 112.9 | R82 Q83 S88 I89 C90 | R82-L86 PolarHBondContact O-N 2.86Å; Q83-L86 PolarHBondContact O-N 2.79Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-I89 PolarHBondContact O-N 2.76Å; L86-C90 PolarHBondContact O-N 3.46Å |
| 87 | R | 48.9 | Very low | 51.3 | Low | 176 Ų | 176 | 142.8 Ų | 142.8 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.5 | -21 | 177.4 | -82.8 | 179.4 | -177.6 | -158.1 | 2.4 | 113.8 | Q83 I89 | Q83-R87 VanDerWaalsContact O-CB 3.25Å; Q83-R87 WeakPolarHBondContact O-CB 3.31Å; Q83-R87 VanDerWaalsContact O-CG 3.23Å; Q83-R87 WeakPolarHBondContact O-CG 3.46Å; Q83-R87 PolarHBondContact O-N 3.45Å; R87-I89 VanDerWaalsContact C-N 3.31Å |
| 88 | S | 50.1 | Low | 51 | Low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -14.5 | 174.6 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | G85 L86 | G85-S88 PolarHBondContact O-OG 3.1Å; G85-S88 VanDerWaalsContact O-OG 3.13Å; L86-S88 VanDerWaalsContact C-N 3.34Å |
| 89 | I | 49 | Very low | 50.7 | Low | 143 Ų | 143 | 141.6 Ų | 141.6 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -21.7 | -178.2 | -59.4 | 174 | 0 | 0 | 0 | 112.3 | L86 R87 | L86-I89 PolarHBondContact O-N 2.76Å; R87-I89 VanDerWaalsContact C-N 3.31Å |
| 90 | C | 50.7 | Low | 49.9 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 66% | 0.662 | 71% | 0.71 | S | S | * | * | trans | -117.6 | 72.8 | -177.9 | -169.3 | 0 | 0 | 0 | 0 | 112 | L86 | L86-C90 PolarHBondContact O-N 3.46Š| ||
| 91 | M | 49.1 | Very low | 49.6 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | -96.9 | 96.7 | 149.2 | -80.1 | -123.5 | 74.1 | 0 | 0 | 106.8 | ||||
| 92 | H | 49.3 | Very low | 49.1 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -169.5 | 127.7 | 137.4 | -96.9 | -68 | 0 | 0 | 0 | 109.8 | ||
| 93 | T | 51.3 | Low | 49.2 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | 71.3 | 81.2 | 165.3 | 69.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 94 | K | 38 | Very low | 49.3 | Very low | 200 Ų | 200 | 143.1 Ų | 143.1 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | trans | -135.9 | 96.7 | 137.7 | -88.2 | -169.2 | 178.1 | 174.4 | 0 | 110.2 | R96 | K94-R96 PolarHBondContact O-N 3.4Å; K94-R96 VanDerWaalsContact O-N 3.15Å | ||
| 95 | K | 46.3 | Very low | 49.5 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 93% | 0.93 | 74% | 0.736 | S | S | * | * | trans | -54.4 | 114.5 | 160.3 | -81.9 | -177.1 | 175.5 | 177.7 | 0 | 107.5 | ||||
| 96 | R | 44.4 | Very low | 49.6 | Very low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -89.5 | 110 | 168.5 | -73.3 | -170.7 | 179.2 | -171.2 | -0.8 | 108 | K94 S98 | K94-R96 PolarHBondContact O-N 3.4Å; K94-R96 VanDerWaalsContact O-N 3.15Å; R96-S98 PolarHBondContact O-N 3.46Å; R96-S98 VanDerWaalsContact O-N 3.16Å | ||
| 97 | V | 40 | Very low | 50.4 | Low | 133 Ų | 133 | 146.2 Ų | 146.2 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | trans | -58.3 | 114.4 | 165.5 | 176.1 | 0 | 0 | 0 | 0 | 107.6 | S99 | V97-S99 PolarHBondContact O-N 2.85Š| ||
| 98 | S | 50.4 | Low | 51.3 | Low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -84.8 | 105.1 | 175.5 | 56.3 | 0 | 0 | 0 | 0 | 109.3 | R96 | R96-S98 PolarHBondContact O-N 3.46Å; R96-S98 VanDerWaalsContact O-N 3.16Å | ||
| 99 | S | 53.3 | Low | 52.4 | Low | 86 Ų | 86 | 144.4 Ų | 144.4 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | trans | -148.3 | 102.4 | 163.2 | 54.4 | 0 | 0 | 0 | 0 | 108.8 | V97 | V97-S99 PolarHBondContact O-N 2.85Š| ||
| 100 | F | 44.3 | Very low | 53.5 | Low | 185 Ų | 185 | 141.7 Ų | 141.7 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | trans | 179.1 | 92.3 | 137.2 | -95.7 | -70.1 | 0 | 0 | 0 | 107.3 | ||||
| 101 | R | 49 | Very low | 54.8 | Low | 259 Ų | 259 | 140.4 Ų | 140.4 | 98% | 0.977 | 71% | 0.706 | S | S | * | * | trans | -106.4 | 61.1 | 179 | -167.1 | -177.9 | -172 | -132.7 | 3.9 | 108.1 | ||||
| 102 | G | 49.2 | Very low | 56.3 | Low | 58 Ų | 58 | 136.7 Ų | 136.7 | 60% | 0.598 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -114.9 | -61 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 103 | N | 55.5 | Low | 57.7 | Low | 140 Ų | 140 | 134.1 Ų | 134.1 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -114.1 | 16.4 | -166.6 | -80.2 | 6.4 | 0 | 0 | 0 | 115.9 | I105 | N103-I105 VanDerWaalsContact C-N 3.34Å; N103-I105 PolarHBondContact O-N 3.28Å |
| 104 | K | 56.1 | Low | 59.3 | Low | 134 Ų | 134 | 136 Ų | 136 | 58% | 0.583 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.4 | -20.7 | -173.2 | -67.7 | -177.2 | -175.6 | 175.6 | 0 | 114.1 | K108 | K104-K108 WeakPolarHBondContact O-CB 3.28Å; K104-K108 VanDerWaalsContact O-CD 3.23Å; K104-K108 WeakPolarHBondContact O-CD 3.3Å; K104-K108 WeakPolarHBondContact O-CG 3.29Å; K104-K108 PolarHBondContact O-N 3.34Å |
| 105 | I | 58.6 | Low | 61.4 | Low | 128 Ų | 128 | 134.6 Ų | 134.6 | 66% | 0.656 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -78.5 | -55.8 | -176 | -60 | 171.3 | 0 | 0 | 0 | 109.5 | N103 L107 K108 D109 | N103-I105 VanDerWaalsContact C-N 3.34Å; N103-I105 PolarHBondContact O-N 3.28Å; I105-L107 PolarHBondContact O-N 3.27Å; I105-K108 PolarHBondContact O-N 3.31Å; I105-K108 VanDerWaalsContact O-N 3.15Å; I105-D109 PolarHBondContact O-N 2.97Å |
| 106 | V | 57.2 | Low | 63.2 | Low | 100 Ų | 100 | 128.7 Ų | 128.7 | 61% | 0.606 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.9 | -43.4 | -178.9 | -176.6 | 0 | 0 | 0 | 0 | 112.7 | K108 D109 V110 | V106-K108 PolarHBondContact O-N 3.18Å; V106-D109 PolarHBondContact O-N 2.9Å; V106-V110 HydrophobicContact CG1-CG2 4.49Å; V106-V110 VanDerWaalsContact O-CG2 3.31Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.32Å |
| 107 | L | 68.6 | Low | 65.2 | Low | 109 Ų | 109 | 121.2 Ų | 121.2 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67 | -37.3 | 179.4 | -176.9 | 63.2 | 0 | 0 | 0 | 112.2 | I105 D109 I111 | I105-L107 PolarHBondContact O-N 3.27Å; L107-D109 VanDerWaalsContact C-N 3.33Å; L107-I111 HydrophobicContact CD1-CD1 4.03Å; L107-I111 HydrophobicContact CD1-CG1 4.3Å; L107-I111 HydrophobicContact CD2-CD1 4.46Å; L107-I111 HydrophobicContact CG-CD1 3.8Å; L107-I111 HydrophobicContact CG-CG1 4.46Å; L107-I111 WeakPolarHBondContact O-CB 3.35Å; L107-I111 WeakPolarHBondContact O-CD1 3.38Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 3.47Å |
| 108 | K | 67.8 | Low | 67.2 | Low | 135 Ų | 135 | 118.2 Ų | 118.2 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.7 | -41.7 | 175.2 | -79.4 | 176 | -175.9 | -175.5 | 0 | 110.7 | K104 I105 V106 I111 T112 | K104-K108 WeakPolarHBondContact O-CB 3.28Å; K104-K108 VanDerWaalsContact O-CD 3.23Å; K104-K108 WeakPolarHBondContact O-CD 3.3Å; K104-K108 WeakPolarHBondContact O-CG 3.29Å; K104-K108 PolarHBondContact O-N 3.34Å; I105-K108 PolarHBondContact O-N 3.31Å; I105-K108 VanDerWaalsContact O-N 3.15Å; V106-K108 PolarHBondContact O-N 3.18Å; K108-I111 PolarHBondContact O-N 2.96Å; K108-T112 WeakPolarHBondContact O-CB 3.28Å; K108-T112 PolarHBondContact O-N 3.04Å; K108-T112 PolarHBondContact O-OG1 3.44Å |
| 109 | D | 72.1 | Confident | 69 | Low | 99 Ų | 99 | 116.6 Ų | 116.6 | 53% | 0.529 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.8 | -40.8 | -179.7 | -64.8 | -24.6 | 0 | 0 | 0 | 111.8 | I105 V106 L107 T112 L113 | I105-D109 PolarHBondContact O-N 2.97Å; V106-D109 PolarHBondContact O-N 2.9Å; L107-D109 VanDerWaalsContact C-N 3.33Å; D109-T112 PolarHBondContact O-N 3.27Å; D109-L113 VanDerWaalsContact O-CB 3.26Å; D109-L113 WeakPolarHBondContact O-CB 3.1Å; D109-L113 PolarHBondContact O-N 3.32Å |
| 110 | V | 71.7 | Confident | 70.7 | Confident | 86 Ų | 86 | 118.4 Ų | 118.4 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.1 | -42.8 | 175 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | V106 T112 L113 R114 | V106-V110 HydrophobicContact CG1-CG2 4.49Å; V106-V110 VanDerWaalsContact O-CG2 3.31Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.32Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-L113 PolarHBondContact O-N 2.9Å; V110-R114 WeakPolarHBondContact O-CB 3.5Å; V110-R114 PolarHBondContact O-N 2.83Å |
| 111 | I | 77.6 | Confident | 72.8 | Confident | 70 Ų | 70 | 113.1 Ų | 113.1 | 36% | 0.359 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.8 | -39.6 | 177.2 | -68.3 | 167.2 | 0 | 0 | 0 | 110.7 | L107 K108 R114 R115 | L107-I111 HydrophobicContact CD1-CD1 4.03Å; L107-I111 HydrophobicContact CD1-CG1 4.3Å; L107-I111 HydrophobicContact CD2-CD1 4.46Å; L107-I111 HydrophobicContact CG-CD1 3.8Å; L107-I111 HydrophobicContact CG-CG1 4.46Å; L107-I111 WeakPolarHBondContact O-CB 3.35Å; L107-I111 WeakPolarHBondContact O-CD1 3.38Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 3.47Å; K108-I111 PolarHBondContact O-N 2.96Å; I111-R114 PolarHBondContact O-N 3.08Å; I111-R115 WeakPolarHBondContact O-CB 3.25Å; I111-R115 VanDerWaalsContact O-CG 3.31Å; I111-R115 WeakPolarHBondContact O-CG 3.31Å; I111-R115 PolarHBondContact O-N 3.49Å |
| 112 | T | 81.2 | Confident | 74.5 | Confident | 87 Ų | 87 | 108.1 Ų | 108.1 | 53% | 0.534 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.6 | -42.9 | 179.8 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | K108 D109 V110 R115 H116 | K108-T112 WeakPolarHBondContact O-CB 3.28Å; K108-T112 PolarHBondContact O-N 3.04Å; K108-T112 PolarHBondContact O-OG1 3.44Å; D109-T112 PolarHBondContact O-N 3.27Å; V110-T112 VanDerWaalsContact C-N 3.33Å; T112-R115 PolarHBondContact O-N 2.89Å; T112-H116 WeakPolarHBondContact O-CB 3.27Å; T112-H116 PolarHBondContact O-N 3.27Å |
| 113 | L | 78.9 | Confident | 76.2 | Confident | 112 Ų | 112 | 107.5 Ų | 107.5 | 59% | 0.586 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 175.2 | -173.5 | 64.4 | 0 | 0 | 0 | 111.5 | D109 V110 R115 H116 V117 | D109-L113 VanDerWaalsContact O-CB 3.26Å; D109-L113 WeakPolarHBondContact O-CB 3.1Å; D109-L113 PolarHBondContact O-N 3.32Å; V110-L113 PolarHBondContact O-N 2.9Å; L113-R115 PolarHBondContact O-N 3.16Å; L113-H116 PolarHBondContact O-N 2.95Å; L113-V117 WeakPolarHBondContact O-CG2 2.91Å; L113-V117 PolarHBondContact O-N 3.49Å |
| 114 | R | 84.5 | Confident | 77.5 | Confident | 170 Ų | 170 | 108.5 Ų | 108.5 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.7 | -47.9 | 175.3 | -178.8 | -178.2 | 168.1 | -170.4 | 1.1 | 111.5 | V110 I111 H116 V117 E118 | V110-R114 WeakPolarHBondContact O-CB 3.5Å; V110-R114 PolarHBondContact O-N 2.83Å; I111-R114 PolarHBondContact O-N 3.08Å; R114-H116 VanDerWaalsContact C-N 3.34Å; R114-H116 PolarHBondContact O-N 3.44Å; R114-V117 PolarHBondContact O-N 3.48Å; R114-E118 HydrophobicContact CG-CG 4.5Å; R114-E118 IonicContact CZ-OE1 3.43Å; R114-E118 IonicContact NE-OE1 2.84Å; R114-E118 PolarHBondContact NE-OE1 3.44Å; R114-E118 IonicContact NH2-OE1 3.18Å; R114-E118 PolarHBondContact NH2-OE1 2.99Å; R114-E118 WeakPolarHBondContact O-CB 3.44Å; R114-E118 WeakPolarHBondContact O-CG 3.17Å; R114-E118 PolarHBondContact O-N 3.4Å |
| 115 | R | 83.3 | Confident | 78.8 | Confident | 171 Ų | 171 | 107 Ų | 107 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 177.2 | -74.7 | 175.9 | 177.9 | -175.9 | 0.3 | 111.6 | I111 T112 L113 E118 T119 | I111-R115 WeakPolarHBondContact O-CB 3.25Å; I111-R115 VanDerWaalsContact O-CG 3.31Å; I111-R115 WeakPolarHBondContact O-CG 3.31Å; I111-R115 PolarHBondContact O-N 3.49Å; T112-R115 PolarHBondContact O-N 2.89Å; L113-R115 PolarHBondContact O-N 3.16Å; R115-E118 PolarHBondContact O-N 2.68Å; R115-T119 VanDerWaalsContact O-CG2 3.3Å; R115-T119 WeakPolarHBondContact O-CG2 3.17Å; R115-T119 PolarHBondContact O-N 2.83Å; R115-T119 PolarHBondContact O-OG1 3.25Å |
| 116 | H | 82.8 | Confident | 79.8 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 42% | 0.417 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 177.8 | 174.5 | -104.6 | 0 | 0 | 0 | 112.2 | T112 L113 R114 T119 K120 | T112-H116 WeakPolarHBondContact O-CB 3.27Å; T112-H116 PolarHBondContact O-N 3.27Å; L113-H116 PolarHBondContact O-N 2.95Å; R114-H116 VanDerWaalsContact C-N 3.34Å; R114-H116 PolarHBondContact O-N 3.44Å; H116-T119 PolarHBondContact O-N 3.35Å; H116-T119 PolarHBondContact O-OG1 3.45Å; H116-K120 VanDerWaalsContact CE1-CE 3.43Å; H116-K120 WeakPolarHBondContact CE1-CE 3.32Å; H116-K120 VanDerWaalsContact NE2-CE 3.29Å; H116-K120 WeakPolarHBondContact NE2-CE 3.39Å; H116-K120 PolarHBondContact O-N 2.84Å |
| 117 | V | 87.3 | Confident | 80.7 | Confident | 77 Ų | 77 | 112.4 Ų | 112.4 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L113 R114 T119 K120 V121 | L113-V117 WeakPolarHBondContact O-CG2 2.91Å; L113-V117 PolarHBondContact O-N 3.49Å; R114-V117 PolarHBondContact O-N 3.48Å; V117-T119 VanDerWaalsContact C-N 3.34Å; V117-T119 PolarHBondContact O-N 2.96Å; V117-K120 PolarHBondContact O-N 3.03Å; V117-V121 HydrophobicContact CG1-CG2 4.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.41Å; V117-V121 PolarHBondContact O-N 3.48Å |
| 118 | E | 81.6 | Confident | 81 | Confident | 70 Ų | 70 | 116.4 Ų | 116.4 | 33% | 0.327 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 177.5 | -77.1 | -177.8 | -169.4 | 0 | 0 | 112 | R114 R115 V121 R122 | R114-E118 HydrophobicContact CG-CG 4.5Å; R114-E118 IonicContact CZ-OE1 3.43Å; R114-E118 IonicContact NE-OE1 2.84Å; R114-E118 PolarHBondContact NE-OE1 3.44Å; R114-E118 IonicContact NH2-OE1 3.18Å; R114-E118 PolarHBondContact NH2-OE1 2.99Å; R114-E118 WeakPolarHBondContact O-CB 3.44Å; R114-E118 WeakPolarHBondContact O-CG 3.17Å; R114-E118 PolarHBondContact O-N 3.4Å; R115-E118 PolarHBondContact O-N 2.68Å; E118-V121 PolarHBondContact O-N 3.33Å; E118-R122 WeakPolarHBondContact O-CB 3.36Å; E118-R122 WeakPolarHBondContact O-CG 3.49Å; E118-R122 PolarHBondContact O-N 3.37Å |
| 119 | T | 88.8 | Confident | 81.1 | Confident | 83 Ų | 83 | 117.1 Ų | 117.1 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 175.9 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | R115 H116 V117 V121 R122 A123 | R115-T119 VanDerWaalsContact O-CG2 3.3Å; R115-T119 WeakPolarHBondContact O-CG2 3.17Å; R115-T119 PolarHBondContact O-N 2.83Å; R115-T119 PolarHBondContact O-OG1 3.25Å; H116-T119 PolarHBondContact O-N 3.35Å; H116-T119 PolarHBondContact O-OG1 3.45Å; V117-T119 VanDerWaalsContact C-N 3.34Å; V117-T119 PolarHBondContact O-N 2.96Å; T119-V121 PolarHBondContact O-N 2.83Å; T119-R122 PolarHBondContact O-N 2.97Å; T119-A123 WeakPolarHBondContact O-CB 3.28Å; T119-A123 PolarHBondContact O-N 3.28Å |
| 120 | K | 88.3 | Confident | 81 | Confident | 123 Ų | 123 | 116.3 Ų | 116.3 | 54% | 0.535 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 174.9 | -80.3 | -166.3 | 172.2 | 179.5 | 0 | 112.2 | H116 V117 A123 K124 | H116-K120 VanDerWaalsContact CE1-CE 3.43Å; H116-K120 WeakPolarHBondContact CE1-CE 3.32Å; H116-K120 VanDerWaalsContact NE2-CE 3.29Å; H116-K120 WeakPolarHBondContact NE2-CE 3.39Å; H116-K120 PolarHBondContact O-N 2.84Å; V117-K120 PolarHBondContact O-N 3.03Å; K120-A123 PolarHBondContact O-N 3.5Å; K120-K124 WeakPolarHBondContact O-CG 3.05Å; K120-K124 PolarHBondContact O-N 3.13Å |
| 121 | V | 88.9 | Confident | 80.4 | Confident | 74 Ų | 74 | 115.7 Ų | 115.7 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | V117 E118 T119 A123 K124 I125 | V117-V121 HydrophobicContact CG1-CG2 4.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.41Å; V117-V121 PolarHBondContact O-N 3.48Å; E118-V121 PolarHBondContact O-N 3.33Å; T119-V121 PolarHBondContact O-N 2.83Å; V121-A123 VanDerWaalsContact C-N 3.34Å; V121-A123 PolarHBondContact O-N 3.5Å; V121-K124 PolarHBondContact O-N 3.12Å; V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.37Å; V121-I125 VanDerWaalsContact O-CG1 3.29Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 3Å |
| 122 | R | 84.4 | Confident | 79.7 | Confident | 154 Ų | 154 | 116.5 Ų | 116.5 | 58% | 0.581 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.3 | -40.5 | 176.2 | -73.9 | 175.3 | -174.4 | -161.2 | 3.9 | 112.2 | E118 T119 I125 R126 | E118-R122 WeakPolarHBondContact O-CB 3.36Å; E118-R122 WeakPolarHBondContact O-CG 3.49Å; E118-R122 PolarHBondContact O-N 3.37Å; T119-R122 PolarHBondContact O-N 2.97Å; R122-I125 PolarHBondContact O-N 2.62Å; R122-R126 WeakPolarHBondContact O-CB 3.29Å; R122-R126 WeakPolarHBondContact O-CG 3Å; R122-R126 PolarHBondContact O-N 3.34Å |
| 123 | A | 85.3 | Confident | 78.6 | Confident | 46 Ų | 46 | 119.6 Ų | 119.6 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T119 K120 V121 R126 K127 | T119-A123 WeakPolarHBondContact O-CB 3.28Å; T119-A123 PolarHBondContact O-N 3.28Å; K120-A123 PolarHBondContact O-N 3.5Å; V121-A123 VanDerWaalsContact C-N 3.34Å; V121-A123 PolarHBondContact O-N 3.5Å; A123-R126 PolarHBondContact O-N 3.11Å; A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.42Å; A123-K127 PolarHBondContact O-N 3.14Å |
| 124 | K | 83.7 | Confident | 77.6 | Confident | 160 Ų | 160 | 119.4 Ų | 119.4 | 70% | 0.696 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.9 | -43 | 173.5 | -77.4 | -178 | 177.4 | -175.2 | 0 | 112.2 | K120 V121 K127 R128 | K120-K124 WeakPolarHBondContact O-CG 3.05Å; K120-K124 PolarHBondContact O-N 3.13Å; V121-K124 PolarHBondContact O-N 3.12Å; K124-K127 PolarHBondContact O-N 3.38Å; K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.46Å; K124-R128 PolarHBondContact O-N 3.37Å |
| 125 | I | 81.8 | Confident | 76.2 | Confident | 104 Ų | 104 | 116.7 Ų | 116.7 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.5 | -44.8 | 176.2 | -68.1 | 167.5 | 0 | 0 | 0 | 110.7 | V121 R122 R128 K129 | V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.37Å; V121-I125 VanDerWaalsContact O-CG1 3.29Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 3Å; R122-I125 PolarHBondContact O-N 2.62Å; I125-R128 PolarHBondContact O-N 3.41Å; I125-K129 VanDerWaalsContact O-CB 3.3Å; I125-K129 WeakPolarHBondContact O-CB 3.4Å; I125-K129 PolarHBondContact O-N 3.24Å |
| 126 | R | 80 | Confident | 74.8 | Confident | 184 Ų | 184 | 116.1 Ų | 116.1 | 69% | 0.694 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.2 | -47.6 | 176.1 | -75.9 | 178.7 | -179.8 | -178.7 | -0.9 | 111.5 | R122 A123 R128 K129 V130 | R122-R126 WeakPolarHBondContact O-CB 3.29Å; R122-R126 WeakPolarHBondContact O-CG 3Å; R122-R126 PolarHBondContact O-N 3.34Å; A123-R126 PolarHBondContact O-N 3.11Å; R126-R128 PolarHBondContact O-N 3.48Å; R126-K129 PolarHBondContact O-N 3.48Å; R126-V130 WeakPolarHBondContact O-CB 3.43Å; R126-V130 VanDerWaalsContact O-CG2 3.25Å; R126-V130 WeakPolarHBondContact O-CG2 3.43Å; R126-V130 PolarHBondContact O-N 3.42Å |
| 127 | K | 76.9 | Confident | 73.4 | Confident | 156 Ų | 156 | 119.8 Ų | 119.8 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.6 | -47.8 | 175 | -76.2 | -172.3 | 179.2 | -168.4 | 0 | 111.2 | A123 K124 K129 V130 T131 | A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.42Å; A123-K127 PolarHBondContact O-N 3.14Å; K124-K127 PolarHBondContact O-N 3.38Å; K127-K129 PolarHBondContact O-N 3.12Å; K127-V130 PolarHBondContact O-N 2.91Å; K127-T131 WeakPolarHBondContact O-CG2 3.24Å; K127-T131 PolarHBondContact O-N 3.46Å; K127-T131 PolarHBondContact O-OG1 2.91Å; K127-T131 VanDerWaalsContact O-OG1 3.1Å |
| 128 | R | 73.4 | Confident | 71.8 | Confident | 193 Ų | 193 | 121.4 Ų | 121.4 | 73% | 0.728 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.9 | -46.2 | 176.9 | -167.1 | 176.8 | -176 | -162.3 | 1.4 | 111.8 | K124 I125 R126 V130 T131 T132 | K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.46Å; K124-R128 PolarHBondContact O-N 3.37Å; I125-R128 PolarHBondContact O-N 3.41Å; R126-R128 PolarHBondContact O-N 3.48Å; R128-V130 PolarHBondContact O-N 3.47Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.5Å; R128-T131 PolarHBondContact O-N 2.93Å; R128-T131 PolarHBondContact O-OG1 3.33Å; R128-T132 WeakPolarHBondContact O-CB 3.36Å; R128-T132 PolarHBondContact O-N 3.2Å; R128-T132 PolarHBondContact O-OG1 2.93Å |
| 129 | K | 71.6 | Confident | 70.5 | Confident | 150 Ų | 150 | 127.8 Ų | 127.8 | 65% | 0.652 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.8 | -38.8 | 178 | -169.3 | 174.9 | -176.6 | 177.7 | 0 | 112.2 | I125 R126 K127 T132 K133 | I125-K129 VanDerWaalsContact O-CB 3.3Å; I125-K129 WeakPolarHBondContact O-CB 3.4Å; I125-K129 PolarHBondContact O-N 3.24Å; R126-K129 PolarHBondContact O-N 3.48Å; K127-K129 PolarHBondContact O-N 3.12Å; K129-T132 PolarHBondContact O-N 3.39Å; K129-K133 PolarHBondContact O-N 3.11Å |
| 130 | V | 68.3 | Low | 68.9 | Low | 82 Ų | 82 | 128 Ų | 128 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.2 | -47.2 | 174.3 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | R126 K127 R128 T132 K133 I134 | R126-V130 WeakPolarHBondContact O-CB 3.43Å; R126-V130 VanDerWaalsContact O-CG2 3.25Å; R126-V130 WeakPolarHBondContact O-CG2 3.43Å; R126-V130 PolarHBondContact O-N 3.42Å; K127-V130 PolarHBondContact O-N 2.91Å; R128-V130 PolarHBondContact O-N 3.47Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 2.92Å; V130-K133 PolarHBondContact O-N 3.02Å; V130-K133 VanDerWaalsContact O-N 3.13Å; V130-I134 HydrophobicContact CG1-CD1 3.69Å; V130-I134 HydrophobicContact CG1-CG1 4.35Å; V130-I134 VanDerWaalsContact O-CG1 3.29Å; V130-I134 WeakPolarHBondContact O-CG1 3.44Å; V130-I134 PolarHBondContact O-N 3.07Å |
| 131 | T | 59.8 | Low | 67.4 | Low | 73 Ų | 73 | 128.3 Ų | 128.3 | 45% | 0.448 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.7 | -34.9 | 176 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | K127 R128 I134 N135 | K127-T131 WeakPolarHBondContact O-CG2 3.24Å; K127-T131 PolarHBondContact O-N 3.46Å; K127-T131 PolarHBondContact O-OG1 2.91Å; K127-T131 VanDerWaalsContact O-OG1 3.1Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.5Å; R128-T131 PolarHBondContact O-N 2.93Å; R128-T131 PolarHBondContact O-OG1 3.33Å; T131-I134 PolarHBondContact O-N 3.29Å; T131-N135 WeakPolarHBondContact O-CB 3.49Å; T131-N135 PolarHBondContact O-N 3.49Å; T131-N135 PolarHBondContact O-ND2 2.88Å |
| 132 | T | 62.8 | Low | 65.6 | Low | 88 Ų | 88 | 127.5 Ų | 127.5 | 54% | 0.54 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.9 | -36 | 174.1 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | R128 K129 V130 H136 | R128-T132 WeakPolarHBondContact O-CB 3.36Å; R128-T132 PolarHBondContact O-N 3.2Å; R128-T132 PolarHBondContact O-OG1 2.93Å; K129-T132 PolarHBondContact O-N 3.39Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 2.92Å; T132-H136 PolarHBondContact O-N 3.41Å |
| 133 | K | 58.3 | Low | 64.2 | Low | 151 Ų | 151 | 129 Ų | 129 | 66% | 0.657 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.6 | -41.3 | 172.4 | -97.6 | -167.7 | 168.7 | -166.5 | 0 | 112.5 | K129 V130 N135 H136 | K129-K133 PolarHBondContact O-N 3.11Å; V130-K133 PolarHBondContact O-N 3.02Å; V130-K133 VanDerWaalsContact O-N 3.13Å; K133-N135 VanDerWaalsContact C-N 3.32Å; K133-N135 PolarHBondContact O-N 3.41Å; K133-H136 WeakPolarHBondContact O-CB 3.41Å; K133-H136 PolarHBondContact O-N 3.49Å |
| 134 | I | 57.4 | Low | 62.7 | Low | 108 Ų | 108 | 136.8 Ų | 136.8 | 55% | 0.554 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.3 | -42.4 | 176.5 | -67.2 | 166.7 | 0 | 0 | 0 | 109.8 | V130 T131 H136 H137 | V130-I134 HydrophobicContact CG1-CD1 3.69Å; V130-I134 HydrophobicContact CG1-CG1 4.35Å; V130-I134 VanDerWaalsContact O-CG1 3.29Å; V130-I134 WeakPolarHBondContact O-CG1 3.44Å; V130-I134 PolarHBondContact O-N 3.07Å; T131-I134 PolarHBondContact O-N 3.29Å; I134-H136 PolarHBondContact O-N 3.43Å; I134-H136 VanDerWaalsContact O-N 3.12Å; I134-H137 PolarHBondContact O-N 2.68Å; I134-H137 VanDerWaalsContact O-N 3.14Å |
| 135 | N | 54.5 | Low | 61.3 | Low | 114 Ų | 114 | 134.6 Ų | 134.6 | 61% | 0.61 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.9 | -6.4 | 173.3 | -77.6 | -24.2 | 0 | 0 | 0 | 114.9 | T131 K133 | T131-N135 WeakPolarHBondContact O-CB 3.49Å; T131-N135 PolarHBondContact O-N 3.49Å; T131-N135 PolarHBondContact O-ND2 2.88Å; K133-N135 VanDerWaalsContact C-N 3.32Å; K133-N135 PolarHBondContact O-N 3.41Å |
| 136 | H | 55.8 | Low | 60.4 | Low | 159 Ų | 159 | 132.5 Ų | 132.5 | 74% | 0.736 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -91.8 | -16.3 | 173.8 | -162.2 | 9.2 | 0 | 0 | 0 | 112.7 | T132 K133 I134 | T132-H136 PolarHBondContact O-N 3.41Å; K133-H136 WeakPolarHBondContact O-CB 3.41Å; K133-H136 PolarHBondContact O-N 3.49Å; I134-H136 PolarHBondContact O-N 3.43Å; I134-H136 VanDerWaalsContact O-N 3.12Å |
| 137 | H | 53.2 | Low | 59.8 | Low | 166 Ų | 166 | 125.7 Ų | 125.7 | 77% | 0.769 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -91.1 | -5.8 | 179.2 | -87.7 | -75.1 | 0 | 0 | 0 | 114.8 | I134 K139 | I134-H137 PolarHBondContact O-N 2.68Å; I134-H137 VanDerWaalsContact O-N 3.14Å; H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 3.04Å |
| 138 | D | 52.9 | Low | 59.6 | Low | 112 Ų | 112 | 127 Ų | 127 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -68.4 | 98 | 159 | -77.4 | -14.1 | 0 | 0 | 0 | 107.7 | I140 | D138-I140 HydrophobicContact CB-CG1 4.03Å; D138-I140 PolarHBondContact O-N 3.15Å |
| 139 | K | 54.3 | Low | 59.7 | Low | 204 Ų | 204 | 124.9 Ų | 124.9 | 89% | 0.887 | 61% | 0.613 | S | S | * | * | trans | -58.4 | 77.8 | 158.2 | -81.1 | 177.4 | 174.4 | 176.2 | 0 | 107.2 | H137 N141 | H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 3.04Å; K139-N141 VanDerWaalsContact C-N 3.27Å; K139-N141 PolarHBondContact O-N 2.89Å | ||
| 140 | I | 56.3 | Low | 59.9 | Low | 87 Ų | 87 | 124 Ų | 124 | 45% | 0.446 | 61% | 0.611 | S | S | . | * | trans | -66.7 | 96.4 | 172.6 | -62.2 | 165.2 | 0 | 0 | 0 | 105.3 | D138 G142 K145 | D138-I140 HydrophobicContact CB-CG1 4.03Å; D138-I140 PolarHBondContact O-N 3.15Å; I140-G142 PolarHBondContact O-N 2.96Å; I140-K145 HydrophobicContact CG2-CD 4.15Å; I140-K145 HydrophobicContact CG2-CG 4.14Å | ||
| 141 | N | 55.9 | Low | 60.8 | Low | 129 Ų | 129 | 126.7 Ų | 126.7 | 69% | 0.69 | 62% | 0.616 | S | S | * | * | trans | -16.8 | 101.4 | 168.7 | -86.7 | -31.9 | 0 | 0 | 0 | 111.6 | K139 K143 R144 | K139-N141 VanDerWaalsContact C-N 3.27Å; K139-N141 PolarHBondContact O-N 2.89Å; N141-K143 PolarHBondContact O-N 2.82Å; N141-R144 PolarHBondContact O-N 2.98Å | ||
| 142 | G | 51.9 | Low | 62.2 | Low | 58 Ų | 58 | 128.3 Ų | 128.3 | 60% | 0.598 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -52.2 | -24.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I140 R144 S146 | I140-G142 PolarHBondContact O-N 2.96Å; G142-R144 PolarHBondContact O-N 2.86Å; G142-S146 PolarHBondContact O-N 3.5Å; G142-S146 PolarHBondContact O-OG 2.89Å |
| 143 | K | 54.1 | Low | 63.2 | Low | 184 Ų | 184 | 130.4 Ų | 130.4 | 80% | 0.8 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.1 | -33.8 | 176.3 | -62.5 | -172 | 179.6 | -176.6 | 0 | 114.6 | N141 S146 A147 | N141-K143 PolarHBondContact O-N 2.82Å; K143-S146 PolarHBondContact O-OG 3.25Å; K143-A147 WeakPolarHBondContact O-CB 3.49Å; K143-A147 PolarHBondContact O-N 3.23Å |
| 144 | R | 54 | Low | 64.6 | Low | 211 Ų | 211 | 129.2 Ų | 129.2 | 80% | 0.796 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -80.9 | -32.5 | -177.7 | -154.9 | 175.9 | -169.6 | 167.3 | 3.2 | 112.2 | N141 G142 R148 | N141-R144 PolarHBondContact O-N 2.98Å; G142-R144 PolarHBondContact O-N 2.86Å; R144-R148 WeakPolarHBondContact O-CB 3.42Å; R144-R148 PolarHBondContact O-N 3.16Å; R144-R148 VanDerWaalsContact O-N 3.16Å |
| 145 | K | 54.9 | Low | 66.2 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 50% | 0.496 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.8 | -37.9 | 175.3 | -72.9 | -175.5 | 178.3 | 174.4 | 0 | 111.8 | I140 K149 | I140-K145 HydrophobicContact CG2-CD 4.15Å; I140-K145 HydrophobicContact CG2-CG 4.14Å; K145-K149 WeakPolarHBondContact O-CB 3.34Å; K145-K149 WeakPolarHBondContact O-CG 3.41Å; K145-K149 PolarHBondContact O-N 3.43Å |
| 146 | S | 60.9 | Low | 67.9 | Low | 60 Ų | 60 | 130.4 Ų | 130.4 | 42% | 0.42 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.5 | -44.8 | 174.5 | 57.3 | 0 | 0 | 0 | 0 | 112 | G142 K143 R148 K149 Q150 | G142-S146 PolarHBondContact O-N 3.5Å; G142-S146 PolarHBondContact O-OG 2.89Å; K143-S146 PolarHBondContact O-OG 3.25Å; S146-R148 PolarHBondContact O-N 3.05Å; S146-K149 PolarHBondContact O-N 3.24Å; S146-Q150 PolarHBondContact O-N 3.5Å |
| 147 | A | 68.5 | Low | 69.5 | Low | 41 Ų | 41 | 127.1 Ų | 127.1 | 34% | 0.339 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.2 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K143 K151 | K143-A147 WeakPolarHBondContact O-CB 3.49Å; K143-A147 PolarHBondContact O-N 3.23Å; A147-K151 WeakPolarHBondContact O-CB 3.23Å; A147-K151 WeakPolarHBondContact O-CG 3.49Å; A147-K151 PolarHBondContact O-N 3.45Å |
| 148 | R | 73.3 | Confident | 71.3 | Confident | 183 Ų | 183 | 123.8 Ų | 123.8 | 69% | 0.691 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.9 | -38.9 | 176 | -167.6 | 178.2 | 177.3 | 175.7 | 0.1 | 111.9 | R144 S146 K151 M152 | R144-R148 WeakPolarHBondContact O-CB 3.42Å; R144-R148 PolarHBondContact O-N 3.16Å; R144-R148 VanDerWaalsContact O-N 3.16Å; S146-R148 PolarHBondContact O-N 3.05Å; R148-K151 PolarHBondContact O-N 3.47Å; R148-M152 HydrophobicContact CG-CE 4.24Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 3.02Å |
| 149 | K | 75.6 | Confident | 73.1 | Confident | 149 Ų | 149 | 123.9 Ų | 123.9 | 65% | 0.648 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.3 | -43.8 | 174.6 | -79.1 | -174.9 | 176.6 | -171.5 | 0 | 112 | K145 S146 K151 M152 F153 | K145-K149 WeakPolarHBondContact O-CB 3.34Å; K145-K149 WeakPolarHBondContact O-CG 3.41Å; K145-K149 PolarHBondContact O-N 3.43Å; S146-K149 PolarHBondContact O-N 3.24Å; K149-K151 PolarHBondContact O-N 2.99Å; K149-M152 HydrophobicContact CG-CE 4.39Å; K149-M152 PolarHBondContact O-N 3.2Å; K149-F153 WeakPolarHBondContact O-CB 3.44Å; K149-F153 PolarHBondContact O-N 2.84Å |
| 150 | Q | 75.6 | Confident | 74.6 | Confident | 130 Ų | 130 | 122.4 Ų | 122.4 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.7 | -43.7 | 174.4 | -84.3 | 178 | -23.6 | 0 | 0 | 111.8 | S146 M152 F153 Q154 | S146-Q150 PolarHBondContact O-N 3.5Å; Q150-M152 VanDerWaalsContact C-N 3.35Å; Q150-M152 PolarHBondContact O-N 2.93Å; Q150-F153 PolarHBondContact O-N 3.33Å; Q150-Q154 WeakPolarHBondContact O-CB 3.38Å; Q150-Q154 WeakPolarHBondContact O-CG 3.32Å; Q150-Q154 PolarHBondContact O-N 3.2Å |
| 151 | K | 86.4 | Confident | 76 | Confident | 140 Ų | 140 | 126.1 Ų | 126.1 | 61% | 0.609 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.9 | -38.9 | 175 | -76.5 | -178.4 | 177.9 | -173.3 | 0 | 112.9 | A147 R148 K149 R155 | A147-K151 WeakPolarHBondContact O-CB 3.23Å; A147-K151 WeakPolarHBondContact O-CG 3.49Å; A147-K151 PolarHBondContact O-N 3.45Å; R148-K151 PolarHBondContact O-N 3.47Å; K149-K151 PolarHBondContact O-N 2.99Å; K151-R155 WeakPolarHBondContact O-CB 3.43Å; K151-R155 WeakPolarHBondContact O-CG 3.33Å; K151-R155 PolarHBondContact O-N 3.08Å |
| 152 | M | 88.4 | Confident | 77.4 | Confident | 106 Ų | 106 | 127.2 Ų | 127.2 | 52% | 0.522 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.6 | -38.8 | 174.9 | -73.6 | -173.5 | -65.9 | 0 | 0 | 112 | R148 K149 Q150 R155 A156 | R148-M152 HydrophobicContact CG-CE 4.24Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 3.02Å; K149-M152 HydrophobicContact CG-CE 4.39Å; K149-M152 PolarHBondContact O-N 3.2Å; Q150-M152 VanDerWaalsContact C-N 3.35Å; Q150-M152 PolarHBondContact O-N 2.93Å; M152-R155 PolarHBondContact O-N 3.2Å; M152-A156 WeakPolarHBondContact O-CB 3.38Å; M152-A156 PolarHBondContact O-N 3.08Å |
| 153 | F | 84.9 | Confident | 78.8 | Confident | 133 Ų | 133 | 127.3 Ų | 127.3 | 58% | 0.583 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.6 | -44 | 176.4 | -172.2 | -103.5 | 0 | 0 | 0 | 112.1 | K149 Q150 A156 Q157 | K149-F153 WeakPolarHBondContact O-CB 3.44Å; K149-F153 PolarHBondContact O-N 2.84Å; Q150-F153 PolarHBondContact O-N 3.33Å; F153-A156 PolarHBondContact O-N 3.43Å; F153-Q157 HydrophobicContact CE1-CG 4.27Å; F153-Q157 WeakPolarHBondContact O-CG 3.47Å; F153-Q157 PolarHBondContact O-N 2.91Å |
| 154 | Q | 88.1 | Confident | 80.1 | Confident | 126 Ų | 126 | 122.8 Ų | 122.8 | 59% | 0.589 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.5 | -45 | 173.3 | -75.1 | 175.8 | -14.3 | 0 | 0 | 111.7 | Q150 A156 Q157 E158 | Q150-Q154 WeakPolarHBondContact O-CB 3.38Å; Q150-Q154 WeakPolarHBondContact O-CG 3.32Å; Q150-Q154 PolarHBondContact O-N 3.2Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.26Å; Q154-Q157 PolarHBondContact O-N 3.23Å; Q154-E158 PolarHBondContact O-N 3.31Å |
| 155 | R | 91.1 | Very high | 81.4 | Confident | 190 Ų | 190 | 116.6 Ų | 116.6 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.5 | -38.4 | 175.3 | -79.4 | -176.7 | 179.1 | -169.1 | -1.4 | 113 | K151 M152 E158 L159 | K151-R155 WeakPolarHBondContact O-CB 3.43Å; K151-R155 WeakPolarHBondContact O-CG 3.33Å; K151-R155 PolarHBondContact O-N 3.08Å; M152-R155 PolarHBondContact O-N 3.2Å; R155-E158 PolarHBondContact O-N 2.82Å; R155-L159 WeakPolarHBondContact O-CG 3.41Å; R155-L159 PolarHBondContact O-N 3.37Å |
| 156 | A | 89.6 | Confident | 82.3 | Confident | 57 Ų | 57 | 117.9 Ų | 117.9 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M152 F153 Q154 R160 | M152-A156 WeakPolarHBondContact O-CB 3.38Å; M152-A156 PolarHBondContact O-N 3.08Å; F153-A156 PolarHBondContact O-N 3.43Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.26Å; A156-R160 WeakPolarHBondContact O-CB 3.43Å; A156-R160 PolarHBondContact O-N 3.4Å |
| 157 | Q | 90.1 | Very high | 82.7 | Confident | 89 Ų | 89 | 120.3 Ų | 120.3 | 42% | 0.416 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 174 | -74.3 | -173.5 | -23.4 | 0 | 0 | 112.4 | F153 Q154 R160 R161 | F153-Q157 HydrophobicContact CE1-CG 4.27Å; F153-Q157 WeakPolarHBondContact O-CG 3.47Å; F153-Q157 PolarHBondContact O-N 2.91Å; Q154-Q157 PolarHBondContact O-N 3.23Å; Q157-R160 WeakPolarHBondContact O-CB 3.4Å; Q157-R160 PolarHBondContact O-N 3.03Å; Q157-R161 WeakPolarHBondContact O-CG 3.47Å; Q157-R161 PolarHBondContact O-N 2.98Å |
| 158 | E | 90.8 | Very high | 82.7 | Confident | 96 Ų | 96 | 123 Ų | 123 | 45% | 0.449 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.8 | -47.4 | 174.8 | -176.5 | 102.7 | -174.4 | 0 | 0 | 111.5 | Q154 R155 R160 R161 R162 | Q154-E158 PolarHBondContact O-N 3.31Å; R155-E158 PolarHBondContact O-N 2.82Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.22Å; E158-R161 PolarHBondContact O-N 2.86Å; E158-R162 WeakPolarHBondContact O-CG 3.47Å; E158-R162 PolarHBondContact O-N 3.29Å; E158-R162 IonicContact OE1-CZ 3.59Å; E158-R162 IonicContact OE1-NE 3.61Å; E158-R162 IonicContact OE1-NH2 2.83Å; E158-R162 PolarHBondContact OE1-NH2 2.95Å |
| 159 | L | 90.8 | Very high | 82.5 | Confident | 114 Ų | 114 | 119.8 Ų | 119.8 | 60% | 0.597 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.8 | -38.7 | 176.8 | -74.1 | 171.4 | 0 | 0 | 0 | 111.8 | R155 R162 A163 | R155-L159 WeakPolarHBondContact O-CG 3.41Å; R155-L159 PolarHBondContact O-N 3.37Å; L159-R162 PolarHBondContact O-N 2.98Å; L159-A163 WeakPolarHBondContact O-CB 3.49Å; L159-A163 PolarHBondContact O-N 3.42Å |
| 160 | R | 85.1 | Confident | 82.3 | Confident | 174 Ų | 174 | 119.3 Ų | 119.3 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.3 | -45.7 | 175.2 | -172.1 | 177.6 | 176.6 | 162 | 4.2 | 111.8 | A156 Q157 E158 R162 A163 E164 | A156-R160 WeakPolarHBondContact O-CB 3.43Å; A156-R160 PolarHBondContact O-N 3.4Å; Q157-R160 WeakPolarHBondContact O-CB 3.4Å; Q157-R160 PolarHBondContact O-N 3.03Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.22Å; R160-R162 PolarHBondContact O-N 3.04Å; R160-A163 PolarHBondContact O-N 2.96Å; R160-E164 IonicContact NE-OE1 3.34Å; R160-E164 PolarHBondContact NE-OE1 3.43Å; R160-E164 WeakPolarHBondContact O-CG 3.48Å; R160-E164 PolarHBondContact O-N 2.81Å |
| 161 | R | 85.8 | Confident | 81.9 | Confident | 165 Ų | 165 | 114.7 Ų | 114.7 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.4 | -44 | 175.3 | -72.5 | 179.9 | -179.1 | 177.7 | -0.3 | 111.8 | Q157 E158 A163 E164 D165 | Q157-R161 WeakPolarHBondContact O-CG 3.47Å; Q157-R161 PolarHBondContact O-N 2.98Å; E158-R161 PolarHBondContact O-N 2.86Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 3.34Å; R161-E164 PolarHBondContact O-N 3.23Å; R161-D165 WeakPolarHBondContact O-CB 3.44Å; R161-D165 VanDerWaalsContact O-CG 3.31Å; R161-D165 PolarHBondContact O-N 3.37Å |
| 162 | R | 85.9 | Confident | 81.2 | Confident | 152 Ų | 152 | 111.4 Ų | 111.4 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -38.2 | 176.4 | -71 | -177.1 | -168.6 | 170.8 | 4.4 | 113 | E158 L159 R160 D165 Y166 | E158-R162 WeakPolarHBondContact O-CG 3.47Å; E158-R162 PolarHBondContact O-N 3.29Å; E158-R162 IonicContact OE1-CZ 3.59Å; E158-R162 IonicContact OE1-NE 3.61Å; E158-R162 IonicContact OE1-NH2 2.83Å; E158-R162 PolarHBondContact OE1-NH2 2.95Å; L159-R162 PolarHBondContact O-N 2.98Å; R160-R162 PolarHBondContact O-N 3.04Å; R162-D165 PolarHBondContact O-N 3.41Å; R162-Y166 VanDerWaalsContact O-CB 3.27Å; R162-Y166 WeakPolarHBondContact O-CB 3.23Å; R162-Y166 PolarHBondContact O-N 3.37Å |
| 163 | A | 82 | Confident | 80.2 | Confident | 60 Ų | 60 | 111.1 Ų | 111.1 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L159 R160 R161 Y166 H167 | L159-A163 WeakPolarHBondContact O-CB 3.49Å; L159-A163 PolarHBondContact O-N 3.42Å; R160-A163 PolarHBondContact O-N 2.96Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 3.34Å; A163-Y166 PolarHBondContact O-N 2.76Å; A163-H167 WeakPolarHBondContact O-CB 3.29Å; A163-H167 PolarHBondContact O-N 3.09Å |
| 164 | E | 79.8 | Confident | 79.3 | Confident | 89 Ų | 89 | 109 Ų | 109 | 42% | 0.416 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 174.8 | -73.1 | 172.4 | -164.7 | 0 | 0 | 111.6 | R160 R161 H167 K168 | R160-E164 IonicContact NE-OE1 3.34Å; R160-E164 PolarHBondContact NE-OE1 3.43Å; R160-E164 WeakPolarHBondContact O-CG 3.48Å; R160-E164 PolarHBondContact O-N 2.81Å; R161-E164 PolarHBondContact O-N 3.23Å; E164-H167 PolarHBondContact O-N 2.91Å; E164-K168 VanDerWaalsContact O-CG 3.3Å; E164-K168 WeakPolarHBondContact O-CG 3.49Å; E164-K168 PolarHBondContact O-N 3.41Å |
| 165 | D | 82.4 | Confident | 78.2 | Confident | 80 Ų | 80 | 104.8 Ų | 104.8 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.9 | -38.6 | 177.5 | -69.2 | -22.1 | 0 | 0 | 0 | 112 | R161 R162 H167 K168 C169 | R161-D165 WeakPolarHBondContact O-CB 3.44Å; R161-D165 VanDerWaalsContact O-CG 3.31Å; R161-D165 PolarHBondContact O-N 3.37Å; R162-D165 PolarHBondContact O-N 3.41Å; D165-H167 VanDerWaalsContact C-N 3.32Å; D165-H167 PolarHBondContact O-N 3.07Å; D165-K168 WeakPolarHBondContact O-CB 3.34Å; D165-K168 PolarHBondContact O-N 2.96Å; D165-K168 IonicContact OD1-NZ 3.37Å; D165-K168 PolarHBondContact OD1-NZ 3.47Å; D165-C169 WeakPolarHBondContact O-CB 3.47Å; D165-C169 PolarHBondContact O-N 2.79Å; D165-C169 PolarHBondContact O-SG 2.85Å |
| 166 | Y | 73.4 | Confident | 77.1 | Confident | 141 Ų | 141 | 100.1 Ų | 100.1 | 55% | 0.553 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.8 | -42.7 | 171.2 | -177.6 | -99.8 | 0 | 0 | 0 | 112 | R162 A163 K168 C169 K170 | R162-Y166 VanDerWaalsContact O-CB 3.27Å; R162-Y166 WeakPolarHBondContact O-CB 3.23Å; R162-Y166 PolarHBondContact O-N 3.37Å; A163-Y166 PolarHBondContact O-N 2.76Å; Y166-K168 VanDerWaalsContact C-N 3.35Å; Y166-C169 PolarHBondContact O-N 3.04Å; Y166-K170 HydrophobicContact CD1-CD 4.35Å; Y166-K170 HydrophobicContact CE1-CD 3.61Å; Y166-K170 HydrophobicContact CE1-CG 4.38Å; Y166-K170 HydrophobicContact CE2-CD 4.44Å; Y166-K170 VanDerWaalsContact CZ-CE 3.42Å; Y166-K170 WeakPolarHBondContact O-CB 3.27Å; Y166-K170 PolarHBondContact O-N 3.19Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; Y166-K170 PolarHBondContact OH-NZ 2.78Å |
| 167 | H | 69.5 | Low | 76.1 | Confident | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 175.8 | -170.8 | 72.3 | 0 | 0 | 0 | 111.9 | A163 E164 D165 I171 | A163-H167 WeakPolarHBondContact O-CB 3.29Å; A163-H167 PolarHBondContact O-N 3.09Å; E164-H167 PolarHBondContact O-N 2.91Å; D165-H167 VanDerWaalsContact C-N 3.32Å; D165-H167 PolarHBondContact O-N 3.07Å; H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3.37Å; H167-I171 PolarHBondContact O-N 2.9Å |
| 168 | K | 67.6 | Low | 75.2 | Confident | 97 Ų | 97 | 103.8 Ų | 103.8 | 42% | 0.422 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 171.9 | -72.1 | 171.9 | -168.3 | 163.4 | 0 | 111 | E164 D165 Y166 K170 I171 R176 | E164-K168 VanDerWaalsContact O-CG 3.3Å; E164-K168 WeakPolarHBondContact O-CG 3.49Å; E164-K168 PolarHBondContact O-N 3.41Å; D165-K168 WeakPolarHBondContact O-CB 3.34Å; D165-K168 PolarHBondContact O-N 2.96Å; D165-K168 IonicContact OD1-NZ 3.37Å; D165-K168 PolarHBondContact OD1-NZ 3.47Å; Y166-K168 VanDerWaalsContact C-N 3.35Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 2.83Å; K168-I171 PolarHBondContact O-N 3.24Å; K168-I171 VanDerWaalsContact O-O 3.1Å; K168-R176 VanDerWaalsContact CB-NH2 3.34Å; K168-R176 PolarHBondContact O-NH2 3.27Å |
| 169 | C | 69.8 | Low | 74.1 | Confident | 115 Ų | 115 | 103.8 Ų | 103.8 | 78% | 0.777 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.3 | -29.5 | -178.1 | -67.5 | 0 | 0 | 0 | 0 | 113.2 | D165 Y166 | D165-C169 WeakPolarHBondContact O-CB 3.47Å; D165-C169 PolarHBondContact O-N 2.79Å; D165-C169 PolarHBondContact O-SG 2.85Å; Y166-C169 PolarHBondContact O-N 3.04Å |
| 170 | K | 71.4 | Confident | 73 | Confident | 140 Ų | 140 | 102.2 Ų | 102.2 | 61% | 0.609 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -80.7 | -25.7 | 178 | -92.4 | -165.5 | 166.6 | -177 | 0 | 115 | Y166 K168 | Y166-K170 HydrophobicContact CD1-CD 4.35Å; Y166-K170 HydrophobicContact CE1-CD 3.61Å; Y166-K170 HydrophobicContact CE1-CG 4.38Å; Y166-K170 HydrophobicContact CE2-CD 4.44Å; Y166-K170 VanDerWaalsContact CZ-CE 3.42Å; Y166-K170 WeakPolarHBondContact O-CB 3.27Å; Y166-K170 PolarHBondContact O-N 3.19Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; Y166-K170 PolarHBondContact OH-NZ 2.78Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 2.83Å |
| 171 | I | 67.1 | Low | 72.4 | Confident | 33 Ų | 33 | 98.6 Ų | 98.6 | 17% | 0.169 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -106.3 | 114 | -177.6 | -54.4 | -174.6 | 0 | 0 | 0 | 109.7 | H167 K168 A175 R176 | H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3.37Å; H167-I171 PolarHBondContact O-N 2.9Å; K168-I171 PolarHBondContact O-N 3.24Å; K168-I171 VanDerWaalsContact O-O 3.1Å; I171-A175 HydrophobicContact CG2-CB 3.74Å; I171-R176 HydrophobicContact CB-CG 4.02Å; I171-R176 HydrophobicContact CG2-CG 3.5Å; I171-R176 VanDerWaalsContact CG2-CG 3.5Å; I171-R176 PolarHBondContact O-NE 3.43Å; I171-R176 VanDerWaalsContact O-NE 3.12Å; I171-R176 PolarHBondContact O-NH2 3.49Å |
| 172 | P | 72.1 | Confident | 71.8 | Confident | 70 Ų | 70 | 99.4 Ų | 99.4 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | trans | -59.1 | 145.6 | 177.4 | 21 | -28.6 | 0 | 0 | 0 | 110.4 | S174 A175 R176 | P172-S174 PolarHBondContact O-N 3.44Å; P172-A175 HydrophobicContact CG-CB 3.89Å; P172-A175 PolarHBondContact O-N 2.96Å; P172-R176 PolarHBondContact O-N 2.87Å | ||
| 173 | P | 66.9 | Low | 71.1 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53.1 | -32.2 | -175.1 | -27.4 | 34.1 | 0 | 0 | 0 | 114.3 | R176 | P173-R176 PolarHBondContact O-N 3.24Å |
| 174 | S | 65.9 | Low | 70.5 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.5 | -43.8 | 175.7 | 52.3 | 0 | 0 | 0 | 0 | 113 | P172 R176 K177 A178 | P172-S174 PolarHBondContact O-N 3.44Å; S174-R176 VanDerWaalsContact C-N 3.31Å; S174-R176 PolarHBondContact O-N 2.95Å; S174-K177 PolarHBondContact O-N 3.34Å; S174-A178 PolarHBondContact O-N 2.97Å |
| 175 | A | 66.1 | Low | 69.9 | Low | 38 Ų | 38 | 103.9 Ų | 103.9 | 31% | 0.314 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.7 | -27.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I171 P172 A178 L179 | I171-A175 HydrophobicContact CG2-CB 3.74Å; P172-A175 HydrophobicContact CG-CB 3.89Å; P172-A175 PolarHBondContact O-N 2.96Å; A175-A178 PolarHBondContact O-N 3.34Å; A175-L179 WeakPolarHBondContact O-CB 3.03Å; A175-L179 PolarHBondContact O-N 3.46Å |
| 176 | R | 67.7 | Low | 69 | Low | 91 Ų | 91 | 101.7 Ų | 101.7 | 34% | 0.343 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 174 | -60.8 | -169.3 | -157.1 | 158 | 12.4 | 112.5 | K168 I171 P172 P173 S174 L179 C180 | K168-R176 VanDerWaalsContact CB-NH2 3.34Å; K168-R176 PolarHBondContact O-NH2 3.27Å; I171-R176 HydrophobicContact CB-CG 4.02Å; I171-R176 HydrophobicContact CG2-CG 3.5Å; I171-R176 VanDerWaalsContact CG2-CG 3.5Å; I171-R176 PolarHBondContact O-NE 3.43Å; I171-R176 VanDerWaalsContact O-NE 3.12Å; I171-R176 PolarHBondContact O-NH2 3.49Å; P172-R176 PolarHBondContact O-N 2.87Å; P173-R176 PolarHBondContact O-N 3.24Å; S174-R176 VanDerWaalsContact C-N 3.31Å; S174-R176 PolarHBondContact O-N 2.95Å; R176-L179 PolarHBondContact O-N 2.93Å; R176-C180 WeakPolarHBondContact O-CB 3.47Å; R176-C180 PolarHBondContact O-N 3.21Å; R176-C180 PolarHBondContact O-SG 2.9Å; R176-C180 VanDerWaalsContact O-SG 3.35Å |
| 177 | K | 68.9 | Low | 68.4 | Low | 161 Ų | 161 | 97.2 Ų | 97.2 | 70% | 0.7 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 175.8 | -80.4 | -173.9 | 178 | -179.3 | 0 | 111.3 | S174 C180 N181 | S174-K177 PolarHBondContact O-N 3.34Å; K177-C180 PolarHBondContact O-N 2.97Å; K177-N181 WeakPolarHBondContact O-CB 3.46Å; K177-N181 VanDerWaalsContact O-CG 3.25Å; K177-N181 PolarHBondContact O-N 2.88Å |
| 178 | A | 69.7 | Low | 68 | Low | 63 Ų | 63 | 93.3 Ų | 93.3 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S174 A175 N181 W182 | S174-A178 PolarHBondContact O-N 2.97Å; A175-A178 PolarHBondContact O-N 3.34Å; A178-N181 PolarHBondContact O-N 3.38Å; A178-W182 WeakPolarHBondContact O-CB 3.27Å; A178-W182 PolarHBondContact O-N 3.48Å |
| 179 | L | 68.3 | Low | 67.5 | Low | 96 Ų | 96 | 95.6 Ų | 95.6 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 179.1 | -147.2 | 119.6 | 0 | 0 | 0 | 112.3 | A175 R176 W182 V183 | A175-L179 WeakPolarHBondContact O-CB 3.03Å; A175-L179 PolarHBondContact O-N 3.46Å; R176-L179 PolarHBondContact O-N 2.93Å; L179-W182 PolarHBondContact O-N 2.84Å; L179-V183 WeakPolarHBondContact O-CB 3.43Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 2.86Å |
| 180 | C | 67 | Low | 66.6 | Low | 80 Ų | 80 | 97.1 Ų | 97.1 | 54% | 0.541 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 174.6 | -75.1 | 0 | 0 | 0 | 0 | 112.4 | R176 K177 R184 | R176-C180 WeakPolarHBondContact O-CB 3.47Å; R176-C180 PolarHBondContact O-N 3.21Å; R176-C180 PolarHBondContact O-SG 2.9Å; R176-C180 VanDerWaalsContact O-SG 3.35Å; K177-C180 PolarHBondContact O-N 2.97Å; C180-R184 WeakPolarHBondContact O-CB 3.39Å; C180-R184 WeakPolarHBondContact O-CG 3.49Å; C180-R184 PolarHBondContact O-N 3.35Å |
| 181 | N | 72.9 | Confident | 65.6 | Low | 98 Ų | 98 | 99.3 Ų | 99.3 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 174.7 | -75.5 | -8.3 | 0 | 0 | 0 | 111.2 | K177 A178 R184 M185 | K177-N181 WeakPolarHBondContact O-CB 3.46Å; K177-N181 VanDerWaalsContact O-CG 3.25Å; K177-N181 PolarHBondContact O-N 2.88Å; A178-N181 PolarHBondContact O-N 3.38Å; N181-R184 PolarHBondContact O-N 2.93Å; N181-M185 WeakPolarHBondContact O-CB 3.42Å; N181-M185 VanDerWaalsContact O-CG 3.3Å; N181-M185 WeakPolarHBondContact O-CG 3.47Å; N181-M185 PolarHBondContact O-N 2.9Å |
| 182 | W | 72.8 | Confident | 64.8 | Low | 182 Ų | 182 | 105.7 Ų | 105.7 | 69% | 0.689 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 175.6 | -176.9 | 75.9 | 0 | 0 | 0 | 112.3 | A178 L179 R184 M185 A186 | A178-W182 WeakPolarHBondContact O-CB 3.27Å; A178-W182 PolarHBondContact O-N 3.48Å; L179-W182 PolarHBondContact O-N 2.84Å; W182-R184 VanDerWaalsContact C-N 3.31Å; W182-R184 PolarHBondContact O-N 3.35Å; W182-M185 PolarHBondContact O-N 3.41Å; W182-A186 WeakPolarHBondContact O-CB 3.38Å; W182-A186 PolarHBondContact O-N 2.84Å |
| 183 | V | 72 | Confident | 63.9 | Low | 78 Ų | 78 | 107.7 Ų | 107.7 | 47% | 0.473 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -37.8 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | L179 A187 | L179-V183 WeakPolarHBondContact O-CB 3.43Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 2.86Å; V183-A187 VanDerWaalsContact O-CB 3.23Å; V183-A187 WeakPolarHBondContact O-CB 3.45Å; V183-A187 PolarHBondContact O-N 3.5Å |
| 184 | R | 69.9 | Low | 63.3 | Low | 194 Ų | 194 | 105.8 Ų | 105.8 | 73% | 0.732 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 173.9 | -85.1 | -178.4 | 132.8 | 167.6 | -2.8 | 112.7 | C180 N181 W182 A187 A188 | C180-R184 WeakPolarHBondContact O-CB 3.39Å; C180-R184 WeakPolarHBondContact O-CG 3.49Å; C180-R184 PolarHBondContact O-N 3.35Å; N181-R184 PolarHBondContact O-N 2.93Å; W182-R184 VanDerWaalsContact C-N 3.31Å; W182-R184 PolarHBondContact O-N 3.35Å; R184-A187 PolarHBondContact O-N 2.97Å; R184-A188 WeakPolarHBondContact O-CB 3.3Å; R184-A188 PolarHBondContact O-N 2.93Å |
| 185 | M | 66.7 | Low | 62.8 | Low | 123 Ų | 123 | 105.2 Ų | 105.2 | 61% | 0.606 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.5 | -47 | 177.1 | -74.5 | -59.8 | -61.1 | 0 | 0 | 111.2 | N181 W182 A187 A188 E189 | N181-M185 WeakPolarHBondContact O-CB 3.42Å; N181-M185 VanDerWaalsContact O-CG 3.3Å; N181-M185 WeakPolarHBondContact O-CG 3.47Å; N181-M185 PolarHBondContact O-N 2.9Å; W182-M185 PolarHBondContact O-N 3.41Å; M185-A187 VanDerWaalsContact C-N 3.3Å; M185-A187 PolarHBondContact O-N 3.46Å; M185-A188 CarbonylContact O-C 3.53Å; M185-A188 WeakPolarHBondContact O-CA 3.16Å; M185-A188 WeakPolarHBondContact O-CB 3.3Å; M185-A188 PolarHBondContact O-N 3.48Å; M185-E189 WeakPolarHBondContact O-CB 3.28Å; M185-E189 PolarHBondContact O-N 3.27Å |
| 186 | A | 63.6 | Low | 62.1 | Low | 35 Ų | 35 | 110 Ų | 110 | 29% | 0.289 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.5 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W182 E189 H190 | W182-A186 WeakPolarHBondContact O-CB 3.38Å; W182-A186 PolarHBondContact O-N 2.84Å; A186-E189 PolarHBondContact O-N 3.29Å; A186-H190 WeakPolarHBondContact O-CB 3.36Å; A186-H190 PolarHBondContact O-N 2.99Å |
| 187 | A | 60.9 | Low | 61 | Low | 47 Ų | 47 | 110.8 Ų | 110.8 | 39% | 0.388 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.9 | -33.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V183 R184 M185 R191 | V183-A187 VanDerWaalsContact O-CB 3.23Å; V183-A187 WeakPolarHBondContact O-CB 3.45Å; V183-A187 PolarHBondContact O-N 3.5Å; R184-A187 PolarHBondContact O-N 2.97Å; M185-A187 VanDerWaalsContact C-N 3.3Å; M185-A187 PolarHBondContact O-N 3.46Å; A187-R191 VanDerWaalsContact O-CG 3.23Å; A187-R191 WeakPolarHBondContact O-CG 3.48Å; A187-R191 PolarHBondContact O-N 3.36Å |
| 188 | A | 61 | Low | 59.8 | Low | 29 Ų | 29 | 112 Ų | 112 | 24% | 0.24 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -72.3 | -37.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R184 M185 R191 H192 | R184-A188 WeakPolarHBondContact O-CB 3.3Å; R184-A188 PolarHBondContact O-N 2.93Å; M185-A188 CarbonylContact O-C 3.53Å; M185-A188 WeakPolarHBondContact O-CA 3.16Å; M185-A188 WeakPolarHBondContact O-CB 3.3Å; M185-A188 PolarHBondContact O-N 3.48Å; A188-R191 WeakPolarHBondContact O-CA 3.43Å; A188-R191 VanDerWaalsContact O-CB 3.27Å; A188-R191 WeakPolarHBondContact O-CB 3.39Å; A188-R191 PolarHBondContact O-N 3.37Å; A188-R191 VanDerWaalsContact O-N 3.08Å; A188-H192 PolarHBondContact O-CD2 3.27Å; A188-H192 PolarHBondContact O-N 3.01Å |
| 189 | E | 56.2 | Low | 58.6 | Low | 145 Ų | 145 | 120 Ų | 120 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.4 | -40.6 | 176.5 | -163.7 | 167.5 | -168.9 | 0 | 0 | 111 | M185 A186 R191 H192 S193 | M185-E189 WeakPolarHBondContact O-CB 3.28Å; M185-E189 PolarHBondContact O-N 3.27Å; A186-E189 PolarHBondContact O-N 3.29Å; E189-R191 PolarHBondContact O-N 3.3Å; E189-H192 PolarHBondContact O-N 2.78Å; E189-S193 PolarHBondContact O-N 3.44Å |
| 190 | H | 52.1 | Low | 57.5 | Low | 148 Ų | 148 | 118.4 Ų | 118.4 | 69% | 0.685 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.6 | -24.8 | 169.9 | -131 | -69.5 | 0 | 0 | 0 | 113.3 | A186 S194 | A186-H190 WeakPolarHBondContact O-CB 3.36Å; A186-H190 PolarHBondContact O-N 2.99Å; H190-S194 WeakPolarHBondContact O-CB 3.42Å; H190-S194 PolarHBondContact O-OG 3.04Å |
| 191 | R | 49.9 | Very low | 56.5 | Low | 185 Ų | 185 | 125.1 Ų | 125.1 | 70% | 0.698 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75 | -30.1 | 174.3 | -76.8 | 170.1 | -175 | 176.5 | -1.9 | 113.1 | A187 A188 E189 | A187-R191 VanDerWaalsContact O-CG 3.23Å; A187-R191 WeakPolarHBondContact O-CG 3.48Å; A187-R191 PolarHBondContact O-N 3.36Å; A188-R191 WeakPolarHBondContact O-CA 3.43Å; A188-R191 VanDerWaalsContact O-CB 3.27Å; A188-R191 WeakPolarHBondContact O-CB 3.39Å; A188-R191 PolarHBondContact O-N 3.37Å; A188-R191 VanDerWaalsContact O-N 3.08Å; E189-R191 PolarHBondContact O-N 3.3Å |
| 192 | H | 50.5 | Low | 55.3 | Low | 167 Ų | 167 | 124.2 Ų | 124.2 | 77% | 0.773 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -83.3 | -26.7 | 179.5 | -69.9 | -64.1 | 0 | 0 | 0 | 113.1 | A188 E189 | A188-H192 PolarHBondContact O-CD2 3.27Å; A188-H192 PolarHBondContact O-N 3.01Å; E189-H192 PolarHBondContact O-N 2.78Å |
| 193 | S | 52.8 | Low | 54.4 | Low | 112 Ų | 112 | 119.7 Ų | 119.7 | 78% | 0.783 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -87.4 | -16.8 | -178.9 | -160.8 | 0 | 0 | 0 | 0 | 114.2 | E189 | E189-S193 PolarHBondContact O-N 3.44Å |
| 194 | S | 55.2 | Low | 53.4 | Low | 61 Ų | 61 | 120 Ų | 120 | 43% | 0.427 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -91.5 | -10 | -173.4 | 49.9 | 0 | 0 | 0 | 0 | 115.8 | H190 L196 | H190-S194 WeakPolarHBondContact O-CB 3.42Å; H190-S194 PolarHBondContact O-OG 3.04Å; S194-L196 PolarHBondContact O-N 3.05Å |
| 195 | G | 55.2 | Low | 52.6 | Low | 76 Ų | 76 | 117.4 Ų | 117.4 | 78% | 0.784 | 62% | 0.616 | S | S | * | * | trans | 56.6 | 11 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 196 | L | 50.1 | Low | 51.8 | Low | 140 Ų | 140 | 114.1 Ų | 114.1 | 73% | 0.733 | 60% | 0.603 | S | S | * | * | trans | -90.7 | 133.8 | -173.4 | -83 | 163.5 | 0 | 0 | 0 | 111 | S194 Y198 | S194-L196 PolarHBondContact O-N 3.05Å; L196-Y198 PolarHBondContact O-N 3.42Å | ||
| 197 | P | 45.4 | Very low | 51.4 | Low | 107 Ų | 107 | 116.2 Ų | 116.2 | 70% | 0.695 | 61% | 0.61 | S | S | * | * | trans | -62.7 | 131.9 | 177.3 | 23.5 | -30 | 0 | 0 | 0 | 110.5 | W199 | P197-W199 PolarHBondContact O-N 3.41Å; P197-W199 VanDerWaalsContact O-N 3.08Å | ||
| 198 | Y | 43.1 | Very low | 51.1 | Low | 187 Ų | 187 | 121.3 Ų | 121.3 | 73% | 0.733 | 62% | 0.623 | S | S | * | * | trans | -53.3 | 108.3 | -179.3 | 172.2 | -107.7 | 0 | 0 | 0 | 111.9 | L196 P200 | L196-Y198 PolarHBondContact O-N 3.42Å; Y198-P200 HydrophobicContact CD1-CG 4.19Å; Y198-P200 HydrophobicContact CE1-CB 3.81Å; Y198-P200 HydrophobicContact CE1-CG 3.55Å; Y198-P200 HydrophobicContact CE2-CB 4.17Å; Y198-P200 WeakPolarHBondContact OH-CB 3.5Å | ||
| 199 | W | 45.2 | Very low | 51 | Low | 231 Ų | 231 | 125 Ų | 125 | 88% | 0.875 | 64% | 0.639 | S | S | * | * | trans | -99 | 107.6 | 155.8 | -88.7 | 86.2 | 0 | 0 | 0 | 107.9 | P197 Y201 | P197-W199 PolarHBondContact O-N 3.41Å; P197-W199 VanDerWaalsContact O-N 3.08Å; W199-Y201 PolarHBondContact O-N 2.97Å; W199-Y201 VanDerWaalsContact O-N 3.07Å | ||
| 200 | P | 46 | Very low | 51 | Low | 61 Ų | 61 | 126.8 Ų | 126.8 | 40% | 0.396 | 64% | 0.639 | S | S | . | * | trans | -60 | 120.6 | 172.7 | 14.1 | -15 | 0 | 0 | 0 | 107.8 | Y198 L202 | Y198-P200 HydrophobicContact CD1-CG 4.19Å; Y198-P200 HydrophobicContact CE1-CB 3.81Å; Y198-P200 HydrophobicContact CE1-CG 3.55Å; Y198-P200 HydrophobicContact CE2-CB 4.17Å; Y198-P200 WeakPolarHBondContact OH-CB 3.5Å; P200-L202 VanDerWaalsContact C-N 3.32Å; P200-L202 PolarHBondContact O-N 3.21Å | ||
| 201 | Y | 44.4 | Very low | 51.1 | Low | 222 Ų | 222 | 126.8 Ų | 126.8 | 87% | 0.871 | 64% | 0.641 | S | S | * | * | trans | -53.1 | 105 | 160.8 | -138.4 | -93.8 | 0 | 0 | 0 | 105.8 | W199 T203 | W199-Y201 PolarHBondContact O-N 2.97Å; W199-Y201 VanDerWaalsContact O-N 3.07Å; Y201-T203 VanDerWaalsContact C-N 3.28Å; Y201-T203 PolarHBondContact O-N 3.14Å | ||
| 202 | L | 47.3 | Very low | 51.3 | Low | 78 Ų | 78 | 121 Ų | 121 | 41% | 0.408 | 64% | 0.64 | S | S | . | * | trans | -58.7 | 99.3 | 172.7 | -81.6 | 159.9 | 0 | 0 | 0 | 106.1 | P200 A204 T206 L207 | P200-L202 VanDerWaalsContact C-N 3.32Å; P200-L202 PolarHBondContact O-N 3.21Å; L202-A204 PolarHBondContact O-N 3.11Å; L202-T206 HydrophobicContact CD2-CG2 3.71Å; L202-L207 HydrophobicContact CB-CD1 4.32Å | ||
| 203 | T | 55 | Low | 51.5 | Low | 88 Ų | 88 | 120.4 Ų | 120.4 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | trans | -49.5 | 141.7 | 170.3 | 10.9 | 0 | 0 | 0 | 0 | 108.2 | Y201 E205 T206 L207 | Y201-T203 VanDerWaalsContact C-N 3.28Å; Y201-T203 PolarHBondContact O-N 3.14Å; T203-E205 PolarHBondContact O-N 3.31Å; T203-T206 WeakPolarHBondContact O-CA 3.33Å; T203-T206 WeakPolarHBondContact O-CB 3.36Å; T203-T206 PolarHBondContact O-N 3.46Å; T203-T206 PolarHBondContact O-OG1 3.41Å; T203-T206 PolarHBondContact OG1-OG1 2.62Å; T203-L207 PolarHBondContact O-N 3.12Å | ||
| 204 | A | 51.5 | Low | 51.7 | Low | 84 Ų | 84 | 123.6 Ų | 123.6 | 69% | 0.694 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -52.8 | -27.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L202 L207 K208 | L202-A204 PolarHBondContact O-N 3.11Å; A204-L207 PolarHBondContact O-N 3.41Å; A204-K208 VanDerWaalsContact O-CB 3.28Å; A204-K208 WeakPolarHBondContact O-CB 3.46Å; A204-K208 PolarHBondContact O-N 3.39Å |
| 205 | E | 51.7 | Low | 52 | Low | 139 Ų | 139 | 125.8 Ų | 125.8 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -55 | -47.7 | 168.7 | -133.1 | 93.5 | -143.9 | 0 | 0 | 113.1 | T203 K208 N209 | T203-E205 PolarHBondContact O-N 3.31Å; E205-K208 PolarHBondContact O-N 2.82Å; E205-N209 VanDerWaalsContact O-CG 3.29Å; E205-N209 PolarHBondContact O-N 3.2Å; E205-N209 PolarHBondContact O-ND2 3.37Å |
| 206 | T | 50.9 | Low | 52.3 | Low | 54 Ų | 54 | 127.8 Ų | 127.8 | 33% | 0.331 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.5 | -34.4 | -177.5 | -29 | 0 | 0 | 0 | 0 | 111.6 | L202 T203 R210 | L202-T206 HydrophobicContact CD2-CG2 3.71Å; T203-T206 WeakPolarHBondContact O-CA 3.33Å; T203-T206 WeakPolarHBondContact O-CB 3.36Å; T203-T206 PolarHBondContact O-N 3.46Å; T203-T206 PolarHBondContact O-OG1 3.41Å; T203-T206 PolarHBondContact OG1-OG1 2.62Å; T206-R210 PolarHBondContact O-N 3.2Å |
| 207 | L | 54.8 | Low | 52.8 | Low | 80 Ų | 80 | 126.4 Ų | 126.4 | 42% | 0.419 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.2 | -36.6 | 174.5 | -120.9 | 152 | 0 | 0 | 0 | 111.7 | L202 T203 A204 R210 M211 | L202-L207 HydrophobicContact CB-CD1 4.32Å; T203-L207 PolarHBondContact O-N 3.12Å; A204-L207 PolarHBondContact O-N 3.41Å; L207-R210 PolarHBondContact O-N 3.5Å; L207-M211 HydrophobicContact CB-CE 4.47Å; L207-M211 HydrophobicContact CD2-CE 3.3Å; L207-M211 HydrophobicContact CG-CE 4.49Å; L207-M211 PolarHBondContact O-N 2.94Å |
| 208 | K | 55.3 | Low | 52.9 | Low | 153 Ų | 153 | 127.2 Ų | 127.2 | 67% | 0.665 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68 | -40 | 175.6 | -167.3 | -177.1 | 174.8 | -168.7 | 0 | 112.3 | A204 E205 R210 M211 G212 | A204-K208 VanDerWaalsContact O-CB 3.28Å; A204-K208 WeakPolarHBondContact O-CB 3.46Å; A204-K208 PolarHBondContact O-N 3.39Å; E205-K208 PolarHBondContact O-N 2.82Å; K208-R210 VanDerWaalsContact C-N 3.29Å; K208-R210 PolarHBondContact O-N 3.43Å; K208-M211 PolarHBondContact O-N 2.96Å; K208-G212 PolarHBondContact O-N 3.43Å |
| 209 | N | 57.7 | Low | 53.6 | Low | 107 Ų | 107 | 124.7 Ų | 124.7 | 57% | 0.572 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.6 | -27.2 | 176.4 | -67.6 | -15.8 | 0 | 0 | 0 | 112.9 | E205 H213 | E205-N209 VanDerWaalsContact O-CG 3.29Å; E205-N209 PolarHBondContact O-N 3.2Å; E205-N209 PolarHBondContact O-ND2 3.37Å; N209-H213 PolarHBondContact O-ND1 3.26Å |
| 210 | R | 56.3 | Low | 53.9 | Low | 182 Ų | 182 | 122.4 Ų | 122.4 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -80.1 | -33.3 | 173.3 | -76.7 | -173.4 | 176.7 | -175.9 | -0.5 | 113.8 | T206 L207 K208 G212 | T206-R210 PolarHBondContact O-N 3.2Å; L207-R210 PolarHBondContact O-N 3.5Å; K208-R210 VanDerWaalsContact C-N 3.29Å; K208-R210 PolarHBondContact O-N 3.43Å; R210-G212 VanDerWaalsContact C-N 3.3Å |
| 211 | M | 55 | Low | 53.9 | Low | 148 Ų | 148 | 132 Ų | 132 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -74.8 | -17.3 | 175.1 | -83.7 | -173.2 | -110 | 0 | 0 | 113.8 | L207 K208 | L207-M211 HydrophobicContact CB-CE 4.47Å; L207-M211 HydrophobicContact CD2-CE 3.3Å; L207-M211 HydrophobicContact CG-CE 4.49Å; L207-M211 PolarHBondContact O-N 2.94Å; K208-M211 PolarHBondContact O-N 2.96Å |
| 212 | G | 53.5 | Low | 54.4 | Low | 65 Ų | 65 | 127.5 Ų | 127.5 | 67% | 0.67 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -8.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K208 R210 | K208-G212 PolarHBondContact O-N 3.43Å; R210-G212 VanDerWaalsContact C-N 3.3Å |
| 213 | H | 55.5 | Low | 54.7 | Low | 153 Ų | 153 | 130.1 Ų | 130.1 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | trans | -97.1 | 110.6 | 176.8 | -75.5 | 80.2 | 0 | 0 | 0 | 109.4 | N209 | N209-H213 PolarHBondContact O-ND1 3.26Š| ||
| 214 | Q | 57.6 | Low | 54.7 | Low | 179 Ų | 179 | 132.4 Ų | 132.4 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 140.9 | 160.5 | -82.3 | -164.5 | -5.9 | 0 | 0 | 108.8 | ||
| 215 | P | 60.3 | Low | 54.9 | Low | 108 Ų | 108 | 135.3 Ų | 135.3 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60 | 141.4 | 168.2 | 26 | -31.2 | 0 | 0 | 0 | 108.9 | ||
| 216 | P | 61.7 | Low | 55.1 | Low | 117 Ų | 117 | 135.1 Ų | 135.1 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 143.5 | 175.1 | 25.3 | -32.4 | 0 | 0 | 0 | 109.4 | ||
| 217 | P | 60.8 | Low | 55.4 | Low | 111 Ų | 111 | 140.5 Ų | 140.5 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 148.1 | 179.8 | 25.3 | -32.8 | 0 | 0 | 0 | 110.2 | T219 | P217-T219 PolarHBondContact O-N 3.34Å; P217-T219 VanDerWaalsContact O-N 3.14Å |
| 218 | P | 48.4 | Very low | 55.4 | Low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 121 | 179.6 | 25.1 | -32.3 | 0 | 0 | 0 | 109.2 | Q220 | P218-Q220 PolarHBondContact O-N 3.37Å; P218-Q220 VanDerWaalsContact O-N 3.11Å |
| 219 | T | 56.8 | Low | 55.4 | Low | 134 Ų | 134 | 144.2 Ų | 144.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -60.7 | 112.9 | 169.6 | -41.4 | 0 | 0 | 0 | 0 | 107.5 | P217 Q221 | P217-T219 PolarHBondContact O-N 3.34Å; P217-T219 VanDerWaalsContact O-N 3.14Å; T219-Q221 PolarHBondContact O-N 3.03Å | ||
| 220 | Q | 52.2 | Low | 55.2 | Low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -78.6 | 109 | 158.7 | -78.4 | -143.7 | 8.1 | 0 | 0 | 107.5 | P218 | P218-Q220 PolarHBondContact O-N 3.37Å; P218-Q220 VanDerWaalsContact O-N 3.11Å | ||
| 221 | Q | 44.9 | Very low | 55.1 | Low | 263 Ų | 263 | 144.1 Ų | 144.1 | 100% | 1.229 | 80% | 0.803 | S | S | * | * | trans | -175.1 | 0 | 141.1 | -100 | 169.5 | 18.3 | 0 | 0 | 109.2 | T219 | T219-Q221 PolarHBondContact O-N 3.03Š|
Retrieved 221 of 221 residues in 268.6 ms
(Link to these results)