| 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 | 53.7 | Low | 65.7 | Low | 136 Ų | 136 | 130.5 Ų | 130.5 | 92% | 0.919 | 65% | 0.652 | S | S | * | * | 0 | 128.5 | 0 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | C3 E4 | C1-C3 PolarHBondContact O-N 3.44Å; C1-E4 PolarHBondContact O-N 3.07Å; C1-E4 VanDerWaalsContact O-N 3.1Å | |||
| 2 | P | 55.3 | Low | 65.3 | Low | 107 Ų | 107 | 126.4 Ų | 126.4 | 70% | 0.695 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.1 | -20.3 | -176.9 | 21.8 | -31.6 | 0 | 0 | 0 | 113.9 | E4 L6 | P2-E4 VanDerWaalsContact C-N 3.34Å; P2-E4 PolarHBondContact O-N 3.44Å; P2-L6 PolarHBondContact O-N 3.46Å |
| 3 | C | 58.5 | Low | 64.7 | Low | 96 Ų | 96 | 123.1 Ų | 123.1 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67 | -29.1 | 176.7 | -52.8 | 0 | 0 | 0 | 0 | 114 | C1 R7 | C1-C3 PolarHBondContact O-N 3.44Å; C3-R7 PolarHBondContact O-N 3.36Å; C3-R7 VanDerWaalsContact O-N 3.17Å |
| 4 | E | 68.3 | Low | 64.3 | Low | 141 Ų | 141 | 117.9 Ų | 117.9 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77.1 | -34.7 | -176.9 | -140.9 | -169.4 | 164.7 | 0 | 0 | 111.8 | C1 P2 R7 K8 | C1-E4 PolarHBondContact O-N 3.07Å; C1-E4 VanDerWaalsContact O-N 3.1Å; P2-E4 VanDerWaalsContact C-N 3.34Å; P2-E4 PolarHBondContact O-N 3.44Å; E4-R7 PolarHBondContact O-N 3.4Å; E4-K8 PolarHBondContact O-N 3.09Å; E4-K8 VanDerWaalsContact O-N 3.11Å |
| 5 | Y | 63.3 | Low | 63.7 | Low | 187 Ų | 187 | 117.6 Ų | 117.6 | 73% | 0.733 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.9 | -42.1 | 176.6 | -156 | -91.7 | 0 | 0 | 0 | 111.5 | R7 K8 F9 | Y5-R7 VanDerWaalsContact C-N 3.33Å; Y5-R7 PolarHBondContact O-N 3.06Å; Y5-K8 PolarHBondContact O-N 3.5Å; Y5-F9 WeakPolarHBondContact O-CB 3.25Å; Y5-F9 PolarHBondContact O-N 2.93Å |
| 6 | L | 67.2 | Low | 63 | Low | 106 Ų | 106 | 118.8 Ų | 118.8 | 56% | 0.555 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.1 | -40.2 | 173.5 | -102.8 | 148.1 | 0 | 0 | 0 | 112.2 | P2 F9 I10 | P2-L6 PolarHBondContact O-N 3.46Å; L6-F9 PolarHBondContact O-N 3.26Å; L6-I10 HydrophobicContact CD2-CD1 4.33Å; L6-I10 WeakPolarHBondContact O-CB 3.32Å; L6-I10 WeakPolarHBondContact O-CD1 3.44Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.44Å |
| 7 | R | 72 | Confident | 62.4 | Low | 185 Ų | 185 | 121 Ų | 121 | 70% | 0.698 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.7 | -40.4 | 178.5 | -156.3 | 178.2 | -143.6 | -168.9 | 5.3 | 112.4 | C3 E4 Y5 N11 | C3-R7 PolarHBondContact O-N 3.36Å; C3-R7 VanDerWaalsContact O-N 3.17Å; E4-R7 PolarHBondContact O-N 3.4Å; Y5-R7 VanDerWaalsContact C-N 3.33Å; Y5-R7 PolarHBondContact O-N 3.06Å; R7-N11 WeakPolarHBondContact O-CB 3.37Å; R7-N11 PolarHBondContact O-N 3.07Å; R7-N11 PolarHBondContact O-ND2 3.49Å |
| 8 | K | 73.9 | Confident | 61.5 | Low | 149 Ų | 149 | 123.7 Ų | 123.7 | 65% | 0.648 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.1 | -47.6 | 171.7 | -96.6 | 176.5 | 175.8 | 171.6 | 0 | 111 | E4 Y5 I10 N11 T12 | E4-K8 PolarHBondContact O-N 3.09Å; E4-K8 VanDerWaalsContact O-N 3.11Å; Y5-K8 PolarHBondContact O-N 3.5Å; K8-I10 PolarHBondContact O-N 2.99Å; K8-N11 PolarHBondContact O-N 3.15Å; K8-T12 PolarHBondContact O-N 3.47Å; K8-T12 PolarHBondContact O-OG1 3.38Å |
| 9 | F | 73.2 | Confident | 60.8 | Low | 126 Ų | 126 | 128.3 Ų | 128.3 | 55% | 0.553 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.2 | -44.4 | -179.6 | -165.7 | -101.1 | 0 | 0 | 0 | 112.5 | Y5 L6 N11 T12 L13 | Y5-F9 WeakPolarHBondContact O-CB 3.25Å; Y5-F9 PolarHBondContact O-N 2.93Å; L6-F9 PolarHBondContact O-N 3.26Å; F9-N11 PolarHBondContact O-N 3.39Å; F9-T12 PolarHBondContact O-N 3.26Å; F9-L13 HydrophobicContact CD1-CD1 3.89Å; F9-L13 HydrophobicContact CE1-CD1 3.36Å; F9-L13 HydrophobicContact CZ-CD1 3.76Å; F9-L13 WeakPolarHBondContact O-CB 3.32Å; F9-L13 PolarHBondContact O-N 3.09Å |
| 10 | I | 72.4 | Confident | 60 | Low | 101 Ų | 101 | 124.2 Ų | 124.2 | 52% | 0.518 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64 | -40.9 | 177 | -67.3 | 164.6 | 0 | 0 | 0 | 111.1 | L6 K8 L13 A14 | L6-I10 HydrophobicContact CD2-CD1 4.33Å; L6-I10 WeakPolarHBondContact O-CB 3.32Å; L6-I10 WeakPolarHBondContact O-CD1 3.44Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.44Å; K8-I10 PolarHBondContact O-N 2.99Å; I10-L13 PolarHBondContact O-N 2.91Å; I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 3.47Å |
| 11 | N | 65.4 | Low | 59.5 | Low | 102 Ų | 102 | 124.5 Ų | 124.5 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.3 | -37.7 | 178 | -72.4 | -14.1 | 0 | 0 | 0 | 112.2 | R7 K8 F9 L13 A14 D15 | R7-N11 WeakPolarHBondContact O-CB 3.37Å; R7-N11 PolarHBondContact O-N 3.07Å; R7-N11 PolarHBondContact O-ND2 3.49Å; K8-N11 PolarHBondContact O-N 3.15Å; F9-N11 PolarHBondContact O-N 3.39Å; N11-L13 VanDerWaalsContact C-N 3.35Å; N11-A14 PolarHBondContact O-N 3.45Å; N11-D15 WeakPolarHBondContact O-CB 3.4Å; N11-D15 PolarHBondContact O-N 3.47Å |
| 12 | T | 60.6 | Low | 59.2 | Low | 81 Ų | 81 | 125.2 Ų | 125.2 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.7 | -36.2 | 173.6 | -43.9 | 0 | 0 | 0 | 0 | 111.6 | K8 F9 D15 H16 | K8-T12 PolarHBondContact O-N 3.47Å; K8-T12 PolarHBondContact O-OG1 3.38Å; F9-T12 PolarHBondContact O-N 3.26Å; T12-D15 PolarHBondContact O-N 2.91Å; T12-H16 PolarHBondContact O-N 3.07Å; T12-H16 VanDerWaalsContact O-N 3.09Å |
| 13 | L | 57.9 | Low | 58.8 | Low | 83 Ų | 83 | 130.3 Ų | 130.3 | 44% | 0.435 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.7 | -39 | 175.5 | -127.4 | 112.9 | 0 | 0 | 0 | 112.2 | F9 I10 N11 H16 H17 | F9-L13 HydrophobicContact CD1-CD1 3.89Å; F9-L13 HydrophobicContact CE1-CD1 3.36Å; F9-L13 HydrophobicContact CZ-CD1 3.76Å; F9-L13 WeakPolarHBondContact O-CB 3.32Å; F9-L13 PolarHBondContact O-N 3.09Å; I10-L13 PolarHBondContact O-N 2.91Å; N11-L13 VanDerWaalsContact C-N 3.35Å; L13-H16 PolarHBondContact O-N 2.99Å; L13-H17 PolarHBondContact O-N 3.4Å |
| 14 | A | 59 | Low | 58.3 | Low | 50 Ų | 50 | 127.9 Ų | 127.9 | 41% | 0.413 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.1 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I10 N11 H17 H18 | I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 3.47Å; N11-A14 PolarHBondContact O-N 3.45Å; A14-H17 PolarHBondContact O-N 3.42Å; A14-H18 PolarHBondContact O-N 3.17Å; A14-H18 VanDerWaalsContact O-N 3.13Å |
| 15 | D | 54.3 | Low | 57 | Low | 114 Ų | 114 | 123.1 Ų | 123.1 | 61% | 0.61 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.5 | -36.3 | 175.2 | -164.8 | 61 | 0 | 0 | 0 | 112 | N11 T12 H18 | N11-D15 WeakPolarHBondContact O-CB 3.4Å; N11-D15 PolarHBondContact O-N 3.47Å; T12-D15 PolarHBondContact O-N 2.91Å; D15-H18 PolarHBondContact O-N 2.91Å |
| 16 | H | 53.8 | Low | 56.7 | Low | 136 Ų | 136 | 118.5 Ų | 118.5 | 63% | 0.63 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.8 | -28.7 | 172.4 | -84.1 | 26.5 | 0 | 0 | 0 | 114.1 | T12 L13 | T12-H16 PolarHBondContact O-N 3.07Å; T12-H16 VanDerWaalsContact O-N 3.09Å; L13-H16 PolarHBondContact O-N 2.99Å |
| 17 | H | 51.5 | Low | 56.3 | Low | 157 Ų | 157 | 118 Ų | 118 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80 | -17.2 | 175.6 | -99.6 | -83.9 | 0 | 0 | 0 | 113.8 | L13 A14 | L13-H17 PolarHBondContact O-N 3.4Å; A14-H17 PolarHBondContact O-N 3.42Å |
| 18 | H | 46.1 | Very low | 55.5 | Low | 170 Ų | 170 | 117.9 Ų | 117.9 | 79% | 0.787 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -89.7 | -13.4 | 176.9 | -108.5 | -59.5 | 0 | 0 | 0 | 114.4 | A14 D15 G20 | A14-H18 PolarHBondContact O-N 3.17Å; A14-H18 VanDerWaalsContact O-N 3.13Å; D15-H18 PolarHBondContact O-N 2.91Å; H18-G20 VanDerWaalsContact C-N 3.27Å; H18-G20 PolarHBondContact O-N 3.39Å |
| 19 | R | 48.2 | Very low | 54.9 | Low | 210 Ų | 210 | 115.8 Ų | 115.8 | 79% | 0.792 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -73.7 | 91.7 | 161.4 | -91.5 | -177.1 | 163.5 | 178.5 | -3.4 | 107.8 | T21 | R19-T21 PolarHBondContact O-N 2.81Š|
| 20 | G | 45.5 | Very low | 54.3 | Low | 46 Ų | 46 | 116.2 Ų | 116.2 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | trans | -37.3 | 134.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | H18 D22 | H18-G20 VanDerWaalsContact C-N 3.27Å; H18-G20 PolarHBondContact O-N 3.39Å; G20-D22 PolarHBondContact O-N 3.17Å | ||
| 21 | T | 49.7 | Very low | 53.9 | Low | 132 Ų | 132 | 115.4 Ų | 115.4 | 81% | 0.81 | 62% | 0.618 | S | S | * | * | trans | -55.7 | 79.7 | 168.2 | 43.6 | 0 | 0 | 0 | 0 | 110.1 | R19 F23 | R19-T21 PolarHBondContact O-N 2.81Å; T21-F23 PolarHBondContact O-N 3.06Å | ||
| 22 | D | 47.5 | Very low | 53.7 | Low | 150 Ų | 150 | 114.5 Ų | 114.5 | 80% | 0.802 | 61% | 0.612 | S | S | * | * | trans | -82.8 | 18.2 | 175.6 | -70.7 | -25 | 0 | 0 | 0 | 111.8 | G20 G24 | G20-D22 PolarHBondContact O-N 3.17Å; D22-G24 PolarHBondContact O-N 3.34Å; D22-G24 VanDerWaalsContact O-N 3.14Å | ||
| 23 | F | 46.2 | Very low | 53.7 | Low | 214 Ų | 214 | 114.5 Ų | 114.5 | 94% | 0.939 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 17.3 | 164.4 | -78.2 | -78.5 | 0 | 0 | 0 | 112.9 | T21 | T21-F23 PolarHBondContact O-N 3.06Š|
| 24 | G | 49.1 | Very low | 53.8 | Low | 45 Ų | 45 | 112.9 Ų | 112.9 | 46% | 0.464 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -133.3 | 31.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D22 S26 | D22-G24 PolarHBondContact O-N 3.34Å; D22-G24 VanDerWaalsContact O-N 3.14Å; G24-S26 PolarHBondContact O-N 3.3Å |
| 25 | G | 41.2 | Very low | 53.8 | Low | 42 Ų | 42 | 118 Ų | 118 | 43% | 0.433 | 62% | 0.624 | S | S | . | * | trans | -51.7 | 139.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P27 W28 | G25-P27 WeakPolarHBondContact O-CD 3.17Å; G25-W28 PolarHBondContact O-N 3.3Å | ||
| 26 | S | 55.8 | Low | 54.1 | Low | 89 Ų | 89 | 115.5 Ų | 115.5 | 62% | 0.622 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -28.9 | -37 | 174.3 | -88.9 | 0 | 0 | 0 | 0 | 117.3 | G24 W28 H30 | G24-S26 PolarHBondContact O-N 3.3Å; S26-W28 PolarHBondContact O-N 3Å; S26-H30 PolarHBondContact O-CD2 3.47Å; S26-H30 PolarHBondContact O-N 3.41Å |
| 27 | P | 58.8 | Low | 54.5 | Low | 96 Ų | 96 | 113.2 Ų | 113.2 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.3 | -37.1 | 178.3 | -26.8 | 36.7 | 0 | 0 | 0 | 114.9 | G25 H30 V31 | G25-P27 WeakPolarHBondContact O-CD 3.17Å; P27-H30 WeakPolarHBondContact O-CB 3.37Å; P27-H30 PolarHBondContact O-N 3.08Å; P27-V31 WeakPolarHBondContact O-CG2 3.06Å; P27-V31 PolarHBondContact O-N 3.33Å |
| 28 | W | 56.3 | Low | 55.3 | Low | 182 Ų | 182 | 109.2 Ų | 109.2 | 69% | 0.689 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.6 | -35.3 | -174.2 | -140.5 | 73.1 | 0 | 0 | 0 | 112.1 | G25 S26 H30 V31 I32 | G25-W28 PolarHBondContact O-N 3.3Å; S26-W28 PolarHBondContact O-N 3Å; W28-H30 VanDerWaalsContact C-N 3.34Å; W28-V31 PolarHBondContact O-N 3Å; W28-I32 HydrophobicContact CD2-CD1 4.16Å; W28-I32 HydrophobicContact CE3-CD1 3.24Å; W28-I32 HydrophobicContact CE3-CG1 4.01Å; W28-I32 HydrophobicContact CH2-CD1 4.49Å; W28-I32 HydrophobicContact CZ3-CD1 3.45Å; W28-I32 VanDerWaalsContact CZ3-CD1 3.45Å; W28-I32 HydrophobicContact CZ3-CG1 4.15Å; W28-I32 VanDerWaalsContact O-CG1 3.29Å; W28-I32 WeakPolarHBondContact O-CG1 3.37Å; W28-I32 PolarHBondContact O-N 3.43Å |
| 29 | L | 60.5 | Low | 56.7 | Low | 106 Ų | 106 | 108.4 Ų | 108.4 | 56% | 0.555 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.8 | -36.4 | 171.4 | -72.1 | 170.7 | 0 | 0 | 0 | 112 | V31 I32 T33 | L29-V31 VanDerWaalsContact C-N 3.35Å; L29-I32 PolarHBondContact O-N 3.31Å; L29-T33 WeakPolarHBondContact O-CB 3.43Å; L29-T33 WeakPolarHBondContact O-CG2 3.12Å; L29-T33 PolarHBondContact O-N 3.13Å; L29-T33 PolarHBondContact O-OG1 2.89Å |
| 30 | H | 61.3 | Low | 58.1 | Low | 134 Ų | 134 | 105.3 Ų | 105.3 | 62% | 0.62 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.5 | -40.7 | 170.5 | -92.7 | -72.1 | 0 | 0 | 0 | 112 | S26 P27 W28 T33 A34 | S26-H30 PolarHBondContact O-CD2 3.47Å; S26-H30 PolarHBondContact O-N 3.41Å; P27-H30 WeakPolarHBondContact O-CB 3.37Å; P27-H30 PolarHBondContact O-N 3.08Å; W28-H30 VanDerWaalsContact C-N 3.34Å; H30-T33 PolarHBondContact O-N 3.49Å; H30-T33 PolarHBondContact O-OG1 3.5Å; H30-A34 WeakPolarHBondContact O-CB 3.25Å; H30-A34 PolarHBondContact O-N 3.3Å |
| 31 | V | 62.2 | Low | 59.6 | Low | 84 Ų | 84 | 106.9 Ų | 106.9 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.2 | -46.6 | 175.1 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | P27 W28 L29 T33 A34 F35 | P27-V31 WeakPolarHBondContact O-CG2 3.06Å; P27-V31 PolarHBondContact O-N 3.33Å; W28-V31 PolarHBondContact O-N 3Å; L29-V31 VanDerWaalsContact C-N 3.35Å; V31-T33 VanDerWaalsContact C-N 3.29Å; V31-T33 PolarHBondContact O-N 2.91Å; V31-A34 PolarHBondContact O-N 3.49Å; V31-F35 VanDerWaalsContact O-CB 3.28Å; V31-F35 WeakPolarHBondContact O-CB 3.19Å; V31-F35 PolarHBondContact O-N 2.6Å |
| 32 | I | 62.5 | Low | 61.1 | Low | 83 Ų | 83 | 105 Ų | 105 | 43% | 0.426 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.7 | -31.4 | 179 | -65.1 | 160.1 | 0 | 0 | 0 | 112.5 | W28 L29 P36 | W28-I32 HydrophobicContact CD2-CD1 4.16Å; W28-I32 HydrophobicContact CE3-CD1 3.24Å; W28-I32 HydrophobicContact CE3-CG1 4.01Å; W28-I32 HydrophobicContact CH2-CD1 4.49Å; W28-I32 HydrophobicContact CZ3-CD1 3.45Å; W28-I32 VanDerWaalsContact CZ3-CD1 3.45Å; W28-I32 HydrophobicContact CZ3-CG1 4.15Å; W28-I32 VanDerWaalsContact O-CG1 3.29Å; W28-I32 WeakPolarHBondContact O-CG1 3.37Å; W28-I32 PolarHBondContact O-N 3.43Å; L29-I32 PolarHBondContact O-N 3.31Å; I32-P36 WeakPolarHBondContact O-CD 3.46Å; I32-P36 WeakPolarHBondContact O-CG 3.29Å |
| 33 | T | 61.1 | Low | 62.9 | Low | 82 Ų | 82 | 100.3 Ų | 100.3 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -89.9 | -32.2 | 179.9 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | L29 H30 V31 P36 T37 | L29-T33 WeakPolarHBondContact O-CB 3.43Å; L29-T33 WeakPolarHBondContact O-CG2 3.12Å; L29-T33 PolarHBondContact O-N 3.13Å; L29-T33 PolarHBondContact O-OG1 2.89Å; H30-T33 PolarHBondContact O-N 3.49Å; H30-T33 PolarHBondContact O-OG1 3.5Å; V31-T33 VanDerWaalsContact C-N 3.29Å; V31-T33 PolarHBondContact O-N 2.91Å; T33-P36 WeakPolarHBondContact O-CD 3.26Å; T33-T37 PolarHBondContact O-OG1 2.91Å |
| 34 | A | 58.5 | Low | 64.5 | Low | 49 Ų | 49 | 94 Ų | 94 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.6 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | H30 V31 T37 S38 | H30-A34 WeakPolarHBondContact O-CB 3.25Å; H30-A34 PolarHBondContact O-N 3.3Å; V31-A34 PolarHBondContact O-N 3.49Å; A34-T37 PolarHBondContact O-N 3.46Å; A34-S38 PolarHBondContact O-N 3.5Å; A34-S38 PolarHBondContact O-OG 3.44Å |
| 35 | F | 58.6 | Low | 66.2 | Low | 158 Ų | 158 | 97.3 Ų | 97.3 | 69% | 0.693 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62 | -45.5 | -176.3 | -146.8 | -93.3 | 0 | 0 | 0 | 113.8 | V31 T37 Y39 | V31-F35 VanDerWaalsContact O-CB 3.28Å; V31-F35 WeakPolarHBondContact O-CB 3.19Å; V31-F35 PolarHBondContact O-N 2.6Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 3.24Å; F35-Y39 WeakPolarHBondContact O-CB 3.32Å; F35-Y39 PolarHBondContact O-N 3.33Å |
| 36 | P | 62.2 | Low | 68.4 | Low | 61 Ų | 61 | 103.3 Ų | 103.3 | 40% | 0.396 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.7 | -32.2 | 175.3 | -18.2 | 31.2 | 0 | 0 | 0 | 112.5 | I32 T33 K40 | I32-P36 WeakPolarHBondContact O-CD 3.46Å; I32-P36 WeakPolarHBondContact O-CG 3.29Å; T33-P36 WeakPolarHBondContact O-CD 3.26Å; P36-K40 WeakPolarHBondContact O-CB 3.44Å; P36-K40 VanDerWaalsContact O-CG 3.24Å; P36-K40 WeakPolarHBondContact O-CG 3.38Å; P36-K40 PolarHBondContact O-N 2.92Å |
| 37 | T | 61.2 | Low | 70 | Confident | 88 Ų | 88 | 102.7 Ų | 102.7 | 54% | 0.54 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.3 | -46.6 | 178.8 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | T33 A34 F35 K40 V41 | T33-T37 PolarHBondContact O-OG1 2.91Å; A34-T37 PolarHBondContact O-N 3.46Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 3.24Å; T37-K40 PolarHBondContact O-N 3.02Å; T37-V41 VanDerWaalsContact O-CG2 3.3Å; T37-V41 WeakPolarHBondContact O-CG2 3.3Å; T37-V41 PolarHBondContact O-N 2.88Å |
| 38 | S | 68.3 | Low | 71.4 | Confident | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.5 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | A34 K40 V41 V42 | A34-S38 PolarHBondContact O-N 3.5Å; A34-S38 PolarHBondContact O-OG 3.44Å; S38-K40 PolarHBondContact O-N 2.83Å; S38-V41 PolarHBondContact O-N 2.98Å; S38-V42 WeakPolarHBondContact O-CG2 3.48Å; S38-V42 PolarHBondContact O-N 2.93Å |
| 39 | Y | 76.8 | Confident | 72.9 | Confident | 153 Ų | 153 | 101.1 Ų | 101.1 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 177.7 | -179.7 | -114.5 | 0 | 0 | 0 | 112.4 | F35 V41 V42 I43 | F35-Y39 WeakPolarHBondContact O-CB 3.32Å; F35-Y39 PolarHBondContact O-N 3.33Å; Y39-V41 VanDerWaalsContact C-N 3.32Å; Y39-V41 PolarHBondContact O-N 3.33Å; Y39-V42 PolarHBondContact O-N 2.84Å; Y39-I43 HydrophobicContact CD1-CD1 3.45Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.45Å; Y39-I43 HydrophobicContact CD1-CG1 4.36Å; Y39-I43 HydrophobicContact CD2-CD1 4.19Å; Y39-I43 HydrophobicContact CD2-CG1 4.27Å; Y39-I43 HydrophobicContact CE1-CD1 3.04Å; Y39-I43 HydrophobicContact CE1-CG1 4.03Å; Y39-I43 HydrophobicContact CE2-CD1 3.84Å; Y39-I43 HydrophobicContact CE2-CG1 3.9Å; Y39-I43 HydrophobicContact CG-CD1 4.01Å; Y39-I43 HydrophobicContact CG-CG1 4.48Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.38Å; Y39-I43 PolarHBondContact O-N 3.45Å |
| 40 | K | 76.9 | Confident | 74.2 | Confident | 144 Ų | 144 | 100.6 Ų | 100.6 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -40.2 | 174.4 | -78 | 177.6 | 178.8 | 178.9 | 0 | 112.2 | P36 T37 S38 T44 | P36-K40 WeakPolarHBondContact O-CB 3.44Å; P36-K40 VanDerWaalsContact O-CG 3.24Å; P36-K40 WeakPolarHBondContact O-CG 3.38Å; P36-K40 PolarHBondContact O-N 2.92Å; T37-K40 PolarHBondContact O-N 3.02Å; S38-K40 PolarHBondContact O-N 2.83Å; K40-T44 VanDerWaalsContact O-CB 3.32Å; K40-T44 WeakPolarHBondContact O-CB 3.4Å; K40-T44 PolarHBondContact O-N 3.4Å; K40-T44 PolarHBondContact O-OG1 2.97Å |
| 41 | V | 77.4 | Confident | 75.4 | Confident | 79 Ų | 79 | 101.4 Ų | 101.4 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | T37 S38 Y39 I43 T44 L45 | T37-V41 VanDerWaalsContact O-CG2 3.3Å; T37-V41 WeakPolarHBondContact O-CG2 3.3Å; T37-V41 PolarHBondContact O-N 2.88Å; S38-V41 PolarHBondContact O-N 2.98Å; Y39-V41 VanDerWaalsContact C-N 3.32Å; Y39-V41 PolarHBondContact O-N 3.33Å; V41-I43 PolarHBondContact O-N 2.9Å; V41-T44 PolarHBondContact O-N 3.01Å; V41-L45 HydrophobicContact CG1-CD1 3.89Å; V41-L45 HydrophobicContact CG1-CG 4.37Å; V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 2.99Å |
| 42 | V | 81.1 | Confident | 76.4 | Confident | 92 Ų | 92 | 101.4 Ų | 101.4 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 178.7 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | S38 Y39 T44 L45 W46 | S38-V42 WeakPolarHBondContact O-CG2 3.48Å; S38-V42 PolarHBondContact O-N 2.93Å; Y39-V42 PolarHBondContact O-N 2.84Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 3.48Å; V42-L45 PolarHBondContact O-N 3.38Å; V42-W46 WeakPolarHBondContact O-CB 3.24Å; V42-W46 PolarHBondContact O-N 2.97Å |
| 43 | I | 84.1 | Confident | 77.3 | Confident | 53 Ų | 53 | 99.5 Ų | 99.5 | 27% | 0.272 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 174.9 | -66.9 | 162.5 | 0 | 0 | 0 | 110.7 | Y39 V41 L45 W46 I47 | Y39-I43 HydrophobicContact CD1-CD1 3.45Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.45Å; Y39-I43 HydrophobicContact CD1-CG1 4.36Å; Y39-I43 HydrophobicContact CD2-CD1 4.19Å; Y39-I43 HydrophobicContact CD2-CG1 4.27Å; Y39-I43 HydrophobicContact CE1-CD1 3.04Å; Y39-I43 HydrophobicContact CE1-CG1 4.03Å; Y39-I43 HydrophobicContact CE2-CD1 3.84Å; Y39-I43 HydrophobicContact CE2-CG1 3.9Å; Y39-I43 HydrophobicContact CG-CD1 4.01Å; Y39-I43 HydrophobicContact CG-CG1 4.48Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.38Å; Y39-I43 PolarHBondContact O-N 3.45Å; V41-I43 PolarHBondContact O-N 2.9Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 2.78Å; I43-W46 PolarHBondContact O-N 3.18Å; I43-I47 HydrophobicContact CG2-CD1 3.57Å; I43-I47 HydrophobicContact CG2-CG1 4.15Å; I43-I47 WeakPolarHBondContact O-CB 3.47Å; I43-I47 VanDerWaalsContact O-CG1 3.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.33Å |
| 44 | T | 81.6 | Confident | 78.2 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | -178.2 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | K40 V41 V42 I47 V48 | K40-T44 VanDerWaalsContact O-CB 3.32Å; K40-T44 WeakPolarHBondContact O-CB 3.4Å; K40-T44 PolarHBondContact O-N 3.4Å; K40-T44 PolarHBondContact O-OG1 2.97Å; V41-T44 PolarHBondContact O-N 3.01Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 3.48Å; T44-I47 PolarHBondContact O-N 3.27Å; T44-V48 VanDerWaalsContact O-CG2 3.29Å; T44-V48 WeakPolarHBondContact O-CG2 3.41Å; T44-V48 PolarHBondContact O-N 3.18Å |
| 45 | L | 83.6 | Confident | 79.3 | Confident | 113 Ų | 113 | 102.3 Ų | 102.3 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 174.6 | -71.7 | 172.2 | 0 | 0 | 0 | 111.9 | V41 V42 I43 V48 Y49 | V41-L45 HydrophobicContact CG1-CD1 3.89Å; V41-L45 HydrophobicContact CG1-CG 4.37Å; V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 2.99Å; V42-L45 PolarHBondContact O-N 3.38Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 2.78Å; L45-V48 PolarHBondContact O-N 2.93Å; L45-Y49 VanDerWaalsContact O-CB 3.26Å; L45-Y49 WeakPolarHBondContact O-CB 3.21Å; L45-Y49 PolarHBondContact O-N 3.24Å |
| 46 | W | 87.3 | Confident | 80 | Confident | 168 Ų | 168 | 102.1 Ų | 102.1 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | 177.4 | -172.1 | 68.5 | 0 | 0 | 0 | 112.1 | V42 I43 Y49 L50 | V42-W46 WeakPolarHBondContact O-CB 3.24Å; V42-W46 PolarHBondContact O-N 2.97Å; I43-W46 PolarHBondContact O-N 3.18Å; W46-Y49 PolarHBondContact O-N 3.34Å; W46-L50 WeakPolarHBondContact O-CB 3.36Å; W46-L50 PolarHBondContact O-N 2.95Å |
| 47 | I | 88.7 | Confident | 80.4 | Confident | 77 Ų | 77 | 103.5 Ų | 103.5 | 40% | 0.395 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -51.5 | 174.6 | -71.1 | 171.6 | 0 | 0 | 0 | 110 | I43 T44 Y49 L50 W51 | I43-I47 HydrophobicContact CG2-CD1 3.57Å; I43-I47 HydrophobicContact CG2-CG1 4.15Å; I43-I47 WeakPolarHBondContact O-CB 3.47Å; I43-I47 VanDerWaalsContact O-CG1 3.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.33Å; T44-I47 PolarHBondContact O-N 3.27Å; I47-Y49 VanDerWaalsContact C-N 3.29Å; I47-Y49 PolarHBondContact O-N 3.08Å; I47-L50 WeakPolarHBondContact O-CB 3.33Å; I47-L50 PolarHBondContact O-N 2.91Å; I47-W51 VanDerWaalsContact CG2-CD1 3.5Å; I47-W51 PolarHBondContact O-N 3.4Å |
| 48 | V | 89.1 | Confident | 80.9 | Confident | 81 Ų | 81 | 103.3 Ų | 103.3 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | T44 L45 W51 V52 | T44-V48 VanDerWaalsContact O-CG2 3.29Å; T44-V48 WeakPolarHBondContact O-CG2 3.41Å; T44-V48 PolarHBondContact O-N 3.18Å; L45-V48 PolarHBondContact O-N 2.93Å; V48-W51 PolarHBondContact O-N 2.9Å; V48-V52 HydrophobicContact CG1-CG2 4.31Å; V48-V52 WeakPolarHBondContact O-CB 3.5Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.35Å; V48-V52 PolarHBondContact O-N 2.88Å |
| 49 | Y | 88.5 | Confident | 80.4 | Confident | 163 Ų | 163 | 105.6 Ų | 105.6 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 176.6 | -178.7 | -99.5 | 0 | 0 | 0 | 112.5 | L45 W46 I47 W51 V52 S53 | L45-Y49 VanDerWaalsContact O-CB 3.26Å; L45-Y49 WeakPolarHBondContact O-CB 3.21Å; L45-Y49 PolarHBondContact O-N 3.24Å; W46-Y49 PolarHBondContact O-N 3.34Å; I47-Y49 VanDerWaalsContact C-N 3.29Å; I47-Y49 PolarHBondContact O-N 3.08Å; Y49-W51 VanDerWaalsContact C-N 3.35Å; Y49-W51 PolarHBondContact O-N 3.26Å; Y49-V52 PolarHBondContact O-N 3.42Å; Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.49Å; Y49-S53 PolarHBondContact O-N 3.19Å; Y49-S53 PolarHBondContact O-OG 3.37Å |
| 50 | L | 87.8 | Confident | 79.3 | Confident | 95 Ų | 95 | 108.6 Ų | 108.6 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.9 | -164.3 | 93.3 | 0 | 0 | 0 | 111 | W46 I47 S53 L54 | W46-L50 WeakPolarHBondContact O-CB 3.36Å; W46-L50 PolarHBondContact O-N 2.95Å; I47-L50 WeakPolarHBondContact O-CB 3.33Å; I47-L50 PolarHBondContact O-N 2.91Å; L50-S53 PolarHBondContact O-N 3.47Å; L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 PolarHBondContact O-N 2.89Å |
| 51 | W | 86.3 | Confident | 78.2 | Confident | 152 Ų | 152 | 105 Ų | 105 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.6 | -44.4 | 177.3 | -82.6 | 103.8 | 0 | 0 | 0 | 112.5 | I47 V48 Y49 S53 L54 L55 | I47-W51 VanDerWaalsContact CG2-CD1 3.5Å; I47-W51 PolarHBondContact O-N 3.4Å; V48-W51 PolarHBondContact O-N 2.9Å; Y49-W51 VanDerWaalsContact C-N 3.35Å; Y49-W51 PolarHBondContact O-N 3.26Å; W51-S53 VanDerWaalsContact C-N 3.32Å; W51-S53 PolarHBondContact O-N 2.87Å; W51-L54 HydrophobicContact CE3-CD2 4.48Å; W51-L54 PolarHBondContact O-N 3.49Å; W51-L55 VanDerWaalsContact O-CB 3.26Å; W51-L55 WeakPolarHBondContact O-CB 3.28Å; W51-L55 WeakPolarHBondContact O-CD1 3.32Å; W51-L55 VanDerWaalsContact O-CG 3.27Å; W51-L55 WeakPolarHBondContact O-CG 3.26Å; W51-L55 PolarHBondContact O-N 2.82Å |
| 52 | V | 83.7 | Confident | 76.9 | Confident | 83 Ų | 83 | 109.7 Ų | 109.7 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | V48 Y49 L55 K56 | V48-V52 HydrophobicContact CG1-CG2 4.31Å; V48-V52 WeakPolarHBondContact O-CB 3.5Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.35Å; V48-V52 PolarHBondContact O-N 2.88Å; Y49-V52 PolarHBondContact O-N 3.42Å; V52-L55 PolarHBondContact O-N 3.37Å; V52-K56 VanDerWaalsContact O-CB 3.23Å; V52-K56 WeakPolarHBondContact O-CB 3.23Å; V52-K56 PolarHBondContact O-N 3.42Å |
| 53 | S | 81.4 | Confident | 75.2 | Confident | 44 Ų | 44 | 110.9 Ų | 110.9 | 31% | 0.308 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 176.5 | -61 | 0 | 0 | 0 | 0 | 111.9 | Y49 L50 W51 K56 T57 | Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.49Å; Y49-S53 PolarHBondContact O-N 3.19Å; Y49-S53 PolarHBondContact O-OG 3.37Å; L50-S53 PolarHBondContact O-N 3.47Å; W51-S53 VanDerWaalsContact C-N 3.32Å; W51-S53 PolarHBondContact O-N 2.87Å; S53-K56 PolarHBondContact O-N 2.8Å; S53-T57 WeakPolarHBondContact O-CG2 3.36Å; S53-T57 PolarHBondContact O-N 2.79Å; S53-T57 PolarHBondContact O-OG1 2.86Å |
| 54 | L | 79.7 | Confident | 73.6 | Confident | 87 Ų | 87 | 111.1 Ų | 111.1 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 174.3 | -167.8 | 96.6 | 0 | 0 | 0 | 111.8 | L50 W51 K56 T57 I58 | L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 PolarHBondContact O-N 2.89Å; W51-L54 HydrophobicContact CE3-CD2 4.48Å; W51-L54 PolarHBondContact O-N 3.49Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.43Å; L54-T57 PolarHBondContact O-N 3.37Å; L54-T57 PolarHBondContact O-OG1 3.41Å; L54-I58 HydrophobicContact CD2-CD1 3.96Å; L54-I58 HydrophobicContact CG-CD1 3.98Å; L54-I58 WeakPolarHBondContact O-CB 3.23Å; L54-I58 WeakPolarHBondContact O-CD1 3.27Å; L54-I58 VanDerWaalsContact O-CG1 3.23Å; L54-I58 WeakPolarHBondContact O-CG1 3.28Å; L54-I58 PolarHBondContact O-N 2.95Å |
| 55 | L | 80.6 | Confident | 72.1 | Confident | 102 Ų | 102 | 112.3 Ų | 112.3 | 53% | 0.534 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 175.7 | -80.8 | 157.9 | 0 | 0 | 0 | 110.6 | W51 V52 I58 F59 | W51-L55 VanDerWaalsContact O-CB 3.26Å; W51-L55 WeakPolarHBondContact O-CB 3.28Å; W51-L55 WeakPolarHBondContact O-CD1 3.32Å; W51-L55 VanDerWaalsContact O-CG 3.27Å; W51-L55 WeakPolarHBondContact O-CG 3.26Å; W51-L55 PolarHBondContact O-N 2.82Å; V52-L55 PolarHBondContact O-N 3.37Å; L55-I58 PolarHBondContact O-N 3.43Å; L55-F59 VanDerWaalsContact O-CB 3.28Å; L55-F59 WeakPolarHBondContact O-CB 3.26Å; L55-F59 PolarHBondContact O-N 3.41Å |
| 56 | K | 74.1 | Confident | 70.4 | Confident | 155 Ų | 155 | 114.6 Ų | 114.6 | 67% | 0.674 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.6 | -43.4 | 177.3 | -166.7 | 173.4 | 174.6 | 100.8 | 0 | 111.4 | V52 S53 L54 F59 W60 | V52-K56 VanDerWaalsContact O-CB 3.23Å; V52-K56 WeakPolarHBondContact O-CB 3.23Å; V52-K56 PolarHBondContact O-N 3.42Å; S53-K56 PolarHBondContact O-N 2.8Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.43Å; K56-F59 PolarHBondContact O-N 3.47Å; K56-W60 VanDerWaalsContact O-CB 3.24Å; K56-W60 WeakPolarHBondContact O-CB 3.47Å; K56-W60 PolarHBondContact O-N 2.85Å |
| 57 | T | 70.2 | Confident | 68.8 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 55% | 0.546 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.6 | -40.7 | 175.7 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | S53 L54 S61 | S53-T57 WeakPolarHBondContact O-CG2 3.36Å; S53-T57 PolarHBondContact O-N 2.79Å; S53-T57 PolarHBondContact O-OG1 2.86Å; L54-T57 PolarHBondContact O-N 3.37Å; L54-T57 PolarHBondContact O-OG1 3.41Å; T57-S61 WeakPolarHBondContact O-CB 3.3Å; T57-S61 PolarHBondContact O-N 3.21Å |
| 58 | I | 70.9 | Confident | 67 | Low | 84 Ų | 84 | 109 Ų | 109 | 43% | 0.431 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65 | -45 | 176.4 | -67.5 | 166.6 | 0 | 0 | 0 | 111 | L54 L55 S61 R62 | L54-I58 HydrophobicContact CD2-CD1 3.96Å; L54-I58 HydrophobicContact CG-CD1 3.98Å; L54-I58 WeakPolarHBondContact O-CB 3.23Å; L54-I58 WeakPolarHBondContact O-CD1 3.27Å; L54-I58 VanDerWaalsContact O-CG1 3.23Å; L54-I58 WeakPolarHBondContact O-CG1 3.28Å; L54-I58 PolarHBondContact O-N 2.95Å; L55-I58 PolarHBondContact O-N 3.43Å; I58-S61 PolarHBondContact O-N 2.84Å; I58-S61 PolarHBondContact O-OG 3.49Å; I58-R62 PolarHBondContact O-N 2.9Å |
| 59 | F | 59.3 | Low | 65.4 | Low | 121 Ų | 121 | 108.1 Ų | 108.1 | 53% | 0.531 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.5 | -35 | -177.9 | -141 | -95.3 | 0 | 0 | 0 | 112.2 | L55 K56 R62 N63 | L55-F59 VanDerWaalsContact O-CB 3.28Å; L55-F59 WeakPolarHBondContact O-CB 3.26Å; L55-F59 PolarHBondContact O-N 3.41Å; K56-F59 PolarHBondContact O-N 3.47Å; F59-R62 PolarHBondContact O-N 2.84Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.4Å; F59-N63 PolarHBondContact O-N 3.46Å |
| 60 | W | 52.8 | Low | 63.9 | Low | 216 Ų | 216 | 104.3 Ų | 104.3 | 82% | 0.818 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67 | -37.2 | 172.5 | -143.3 | 59.9 | 0 | 0 | 0 | 111.6 | K56 R62 N63 G64 | K56-W60 VanDerWaalsContact O-CB 3.24Å; K56-W60 WeakPolarHBondContact O-CB 3.47Å; K56-W60 PolarHBondContact O-N 2.85Å; W60-R62 PolarHBondContact O-N 3.23Å; W60-N63 PolarHBondContact O-N 2.87Å; W60-G64 PolarHBondContact O-N 3.38Å |
| 61 | S | 53.4 | Low | 62.4 | Low | 70 Ų | 70 | 104.4 Ų | 104.4 | 49% | 0.49 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.3 | -22.7 | 172.8 | 86.4 | 0 | 0 | 0 | 0 | 113.6 | T57 I58 H65 | T57-S61 WeakPolarHBondContact O-CB 3.3Å; T57-S61 PolarHBondContact O-N 3.21Å; I58-S61 PolarHBondContact O-N 2.84Å; I58-S61 PolarHBondContact O-OG 3.49Å; S61-H65 PolarHBondContact O-CD2 2.88Å |
| 62 | R | 49.9 | Very low | 60.9 | Low | 176 Ų | 176 | 104 Ų | 104 | 66% | 0.664 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -94.6 | -25.9 | -179.2 | -163.8 | 137.7 | 78 | -179.3 | 7.1 | 113.8 | I58 F59 W60 | I58-R62 PolarHBondContact O-N 2.9Å; F59-R62 PolarHBondContact O-N 2.84Å; W60-R62 PolarHBondContact O-N 3.23Å |
| 63 | N | 47.2 | Very low | 59.6 | Low | 117 Ų | 117 | 105.1 Ų | 105.1 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -95 | -8.9 | -179.2 | -76.3 | 9 | 0 | 0 | 0 | 114.3 | F59 W60 | F59-N63 WeakPolarHBondContact CE1-ND2 3.4Å; F59-N63 PolarHBondContact O-N 3.46Å; W60-N63 PolarHBondContact O-N 2.87Å |
| 64 | G | 49.4 | Very low | 58.6 | Low | 58 Ų | 58 | 110.8 Ų | 110.8 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -105.9 | 3.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | W60 | W60-G64 PolarHBondContact O-N 3.38Š|
| 65 | H | 50.1 | Low | 57.5 | Low | 108 Ų | 108 | 109.1 Ų | 109.1 | 50% | 0.5 | 57% | 0.568 | S | S | . | * | trans | -115.8 | 21.8 | -165.4 | -94.1 | -29.2 | 0 | 0 | 0 | 116.4 | S61 T69 | S61-H65 PolarHBondContact O-CD2 2.88Å; H65-T69 PolarHBondContact O-OG1 3.38Å; H65-T69 VanDerWaalsContact O-OG1 3.13Å | ||
| 66 | D | 48.5 | Very low | 56.3 | Low | 161 Ų | 161 | 111.6 Ų | 111.6 | 86% | 0.861 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -99.1 | 8.7 | -176.5 | -77.7 | -12.6 | 0 | 0 | 0 | 115.7 | ||
| 67 | G | 52.2 | Low | 55.5 | Low | 47 Ų | 47 | 111.9 Ų | 111.9 | 49% | 0.485 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -134.9 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 68 | S | 52 | Low | 54.8 | Low | 79 Ų | 79 | 111.1 Ų | 111.1 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -81.7 | -32.7 | -169.3 | 170 | 0 | 0 | 0 | 0 | 114 | Q72 | S68-Q72 WeakPolarHBondContact O-CG 3.31Å; S68-Q72 PolarHBondContact O-N 3.36Å |
| 69 | T | 54.3 | Low | 54.3 | Low | 63 Ų | 63 | 112 Ų | 112 | 39% | 0.387 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.4 | -33.6 | -177.5 | 35 | 0 | 0 | 0 | 0 | 112.6 | H65 Q73 | H65-T69 PolarHBondContact O-OG1 3.38Å; H65-T69 VanDerWaalsContact O-OG1 3.13Å; T69-Q73 WeakPolarHBondContact O-CB 3.26Å; T69-Q73 PolarHBondContact O-N 2.92Å |
| 70 | D | 58 | Low | 54.1 | Low | 84 Ų | 84 | 112.7 Ų | 112.7 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.4 | -40.9 | 176.6 | -170.8 | 62 | 0 | 0 | 0 | 111.7 | Q73 R74 | D70-Q73 PolarHBondContact O-N 3.39Å; D70-R74 WeakPolarHBondContact O-CB 3.34Å; D70-R74 PolarHBondContact O-N 3.3Å; D70-R74 IonicContact OD2-CZ 3.65Å; D70-R74 IonicContact OD2-NH1 3.08Å; D70-R74 IonicContact OD2-NH2 3.44Å; D70-R74 PolarHBondContact OD2-NH2 3.5Å; D70-R74 VanDerWaalsContact OD2-NH2 3.08Å |
| 71 | V | 56.6 | Low | 54.3 | Low | 96 Ų | 96 | 112.1 Ų | 112.1 | 58% | 0.582 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.5 | -45.8 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | Q73 R74 A75 | V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 2.91Å; V71-R74 PolarHBondContact O-N 3.41Å; V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 2.85Å |
| 72 | Q | 54.6 | Low | 54.3 | Low | 143 Ų | 143 | 118.4 Ų | 118.4 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63 | -40.2 | 176 | -74.5 | -89.9 | -38.9 | 0 | 0 | 111.6 | S68 W76 | S68-Q72 WeakPolarHBondContact O-CG 3.31Å; S68-Q72 PolarHBondContact O-N 3.36Å; Q72-W76 VanDerWaalsContact O-CB 3.32Å; Q72-W76 WeakPolarHBondContact O-CB 3.43Å; Q72-W76 PolarHBondContact O-N 3.38Å |
| 73 | Q | 57.1 | Low | 54.3 | Low | 107 Ų | 107 | 115 Ų | 115 | 50% | 0.5 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74.9 | -31.1 | 179.8 | -166.7 | 151.4 | -33.5 | 0 | 0 | 112.6 | T69 D70 V71 R77 | T69-Q73 WeakPolarHBondContact O-CB 3.26Å; T69-Q73 PolarHBondContact O-N 2.92Å; D70-Q73 PolarHBondContact O-N 3.39Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 2.91Å; Q73-R77 WeakPolarHBondContact O-CB 3.45Å; Q73-R77 WeakPolarHBondContact O-CG 3.37Å; Q73-R77 PolarHBondContact O-N 3.14Å |
| 74 | R | 59.7 | Low | 54.7 | Low | 164 Ų | 164 | 114.7 Ų | 114.7 | 62% | 0.619 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.1 | -42.2 | 171.5 | -172.2 | 175.5 | -74.3 | 153.4 | 6.7 | 111.5 | D70 V71 R77 S78 | D70-R74 WeakPolarHBondContact O-CB 3.34Å; D70-R74 PolarHBondContact O-N 3.3Å; D70-R74 IonicContact OD2-CZ 3.65Å; D70-R74 IonicContact OD2-NH1 3.08Å; D70-R74 IonicContact OD2-NH2 3.44Å; D70-R74 PolarHBondContact OD2-NH2 3.5Å; D70-R74 VanDerWaalsContact OD2-NH2 3.08Å; V71-R74 PolarHBondContact O-N 3.41Å; R74-R77 PolarHBondContact O-N 2.99Å; R74-S78 PolarHBondContact O-N 2.92Å; R74-S78 VanDerWaalsContact O-N 3.07Å |
| 75 | A | 57 | Low | 54.9 | Low | 51 Ų | 51 | 114.4 Ų | 114.4 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.3 | -39.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | V71 S78 N79 | V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 2.85Å; A75-S78 PolarHBondContact O-N 2.87Å; A75-S78 PolarHBondContact O-OG 2.85Å; A75-N79 PolarHBondContact O-N 3.22Å; A75-N79 VanDerWaalsContact O-N 3.09Å |
| 76 | W | 54.3 | Low | 54.7 | Low | 155 Ų | 155 | 115.8 Ų | 115.8 | 59% | 0.587 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.2 | -39.6 | 176.2 | -167.6 | 82.6 | 0 | 0 | 0 | 112.7 | Q72 R80 | Q72-W76 VanDerWaalsContact O-CB 3.32Å; Q72-W76 WeakPolarHBondContact O-CB 3.43Å; Q72-W76 PolarHBondContact O-N 3.38Å; W76-R80 WeakPolarHBondContact O-CB 3.46Å; W76-R80 PolarHBondContact O-N 3.4Å |
| 77 | R | 56.8 | Low | 54.7 | Low | 160 Ų | 160 | 117.1 Ų | 117.1 | 60% | 0.604 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.6 | -35.1 | 174.5 | -79.8 | -175 | -177.3 | 153.9 | 0.6 | 112.8 | Q73 R74 R81 | Q73-R77 WeakPolarHBondContact O-CB 3.45Å; Q73-R77 WeakPolarHBondContact O-CG 3.37Å; Q73-R77 PolarHBondContact O-N 3.14Å; R74-R77 PolarHBondContact O-N 2.99Å; R77-R81 PolarHBondContact O-N 2.9Å |
| 78 | S | 57.1 | Low | 54.6 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 51% | 0.51 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.3 | -39 | 178 | 83.5 | 0 | 0 | 0 | 0 | 112.3 | R74 A75 R80 R81 R82 | R74-S78 PolarHBondContact O-N 2.92Å; R74-S78 VanDerWaalsContact O-N 3.07Å; A75-S78 PolarHBondContact O-N 2.87Å; A75-S78 PolarHBondContact O-OG 2.85Å; S78-R80 PolarHBondContact O-N 3.47Å; S78-R81 PolarHBondContact O-N 3.46Å; S78-R82 PolarHBondContact O-N 3.43Å |
| 79 | N | 58.9 | Low | 54.4 | Low | 104 Ų | 104 | 122.8 Ų | 122.8 | 56% | 0.556 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.2 | -32.2 | 176.9 | -108.3 | -33.3 | 0 | 0 | 0 | 113 | A75 R82 Q83 | A75-N79 PolarHBondContact O-N 3.22Å; A75-N79 VanDerWaalsContact O-N 3.09Å; N79-R82 PolarHBondContact O-N 3.04Å; N79-Q83 PolarHBondContact O-N 2.68Å |
| 80 | R | 56.1 | Low | 54.1 | Low | 135 Ų | 135 | 124.4 Ų | 124.4 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.9 | -41.5 | 176.3 | -169.1 | 166.6 | -176.8 | 167.9 | 2.7 | 112.4 | W76 S78 Q83 E84 | W76-R80 WeakPolarHBondContact O-CB 3.46Å; W76-R80 PolarHBondContact O-N 3.4Å; S78-R80 PolarHBondContact O-N 3.47Å; R80-Q83 PolarHBondContact O-N 2.97Å; R80-E84 IonicContact NE-OE1 2.85Å; R80-E84 WeakPolarHBondContact O-CG 3.3Å; R80-E84 PolarHBondContact O-N 3.21Å |
| 81 | R | 57.7 | Low | 53.8 | Low | 204 Ų | 204 | 128.8 Ų | 128.8 | 77% | 0.77 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.5 | -37.3 | 174.9 | -72.9 | -169.8 | -177.6 | -172.4 | 0.9 | 112.8 | R77 S78 E84 | R77-R81 PolarHBondContact O-N 2.9Å; S78-R81 PolarHBondContact O-N 3.46Å; R81-E84 PolarHBondContact O-N 3.45Å |
| 82 | R | 52.7 | Low | 53 | Low | 201 Ų | 201 | 132 Ų | 132 | 76% | 0.758 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.9 | -34.9 | 173.8 | -87.2 | -168 | -179.1 | -173.2 | 1 | 113.1 | S78 N79 L86 | S78-R82 PolarHBondContact O-N 3.43Å; N79-R82 PolarHBondContact O-N 3.04Å; R82-L86 PolarHBondContact O-N 2.86Å |
| 83 | Q | 50.8 | Low | 52.9 | Low | 104 Ų | 104 | 131.5 Ų | 131.5 | 49% | 0.486 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -74 | -30.1 | 175.6 | -80 | -139.4 | -1.9 | 0 | 0 | 113.7 | N79 R80 G85 L86 R87 | N79-Q83 PolarHBondContact O-N 2.68Å; R80-Q83 PolarHBondContact O-N 2.97Å; Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 3.37Å; Q83-L86 PolarHBondContact O-N 2.98Å; Q83-R87 VanDerWaalsContact O-CB 3.32Å; Q83-R87 WeakPolarHBondContact O-CB 3.5Å; Q83-R87 VanDerWaalsContact O-CG 3.25Å; Q83-R87 WeakPolarHBondContact O-CG 3.28Å; Q83-R87 PolarHBondContact O-N 3.32Å |
| 84 | E | 53.7 | Low | 51.9 | Low | 112 Ų | 112 | 135.7 Ų | 135.7 | 52% | 0.523 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.5 | -30.7 | 175.1 | -77.6 | 162.9 | -174.9 | 0 | 0 | 111.8 | R80 R81 | R80-E84 IonicContact NE-OE1 2.85Å; R80-E84 WeakPolarHBondContact O-CG 3.3Å; R80-E84 PolarHBondContact O-N 3.21Å; R81-E84 PolarHBondContact O-N 3.45Å |
| 85 | G | 53.7 | Low | 51.1 | Low | 52 Ų | 52 | 137.6 Ų | 137.6 | 54% | 0.536 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -75.7 | -24.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q83 S88 | Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 3.37Å; G85-S88 PolarHBondContact O-OG 2.87Å |
| 86 | L | 47.4 | Very low | 50.4 | Low | 136 Ų | 136 | 146.2 Ų | 146.2 | 71% | 0.712 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -93.3 | -18.7 | 177.2 | -76.3 | 167.7 | 0 | 0 | 0 | 113.4 | R82 Q83 S88 | R82-L86 PolarHBondContact O-N 2.86Å; Q83-L86 PolarHBondContact O-N 2.98Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.44Å |
| 87 | R | 47.8 | Very low | 49.9 | Very low | 190 Ų | 190 | 145 Ų | 145 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -13 | -179.6 | -86.2 | 178.6 | -178.5 | -159.2 | 0.3 | 114.4 | Q83 | Q83-R87 VanDerWaalsContact O-CB 3.32Å; Q83-R87 WeakPolarHBondContact O-CB 3.5Å; Q83-R87 VanDerWaalsContact O-CG 3.25Å; Q83-R87 WeakPolarHBondContact O-CG 3.28Å; Q83-R87 PolarHBondContact O-N 3.32Å |
| 88 | S | 49.3 | Very low | 49.3 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -8.1 | 177.5 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | G85 L86 | G85-S88 PolarHBondContact O-OG 2.87Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.44Å |
| 89 | I | 48.9 | Very low | 49.1 | Very low | 148 Ų | 148 | 143 Ų | 143 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -114.8 | -7.5 | -172.7 | -59.4 | 178.5 | 0 | 0 | 0 | 114.3 | ||
| 90 | C | 48 | Very low | 48.4 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | trans | -132.2 | 86.6 | -177.9 | -168.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 91 | M | 50.8 | Low | 48 | Very low | 177 Ų | 177 | 152.7 Ų | 152.7 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | trans | -89.9 | 89.2 | 153.2 | -82.8 | -115.6 | 75.7 | 0 | 0 | 108.6 | ||||
| 92 | H | 40.4 | Very low | 47.7 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -135.4 | 126 | 155.9 | -83.6 | -72 | 0 | 0 | 0 | 112.1 | K94 | H92-K94 PolarHBondContact O-N 3.27Š| ||
| 93 | T | 51.6 | Low | 47.8 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | trans | -30.3 | 113.8 | -179.6 | 50.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 94 | K | 36.4 | Very low | 48 | Very low | 194 Ų | 194 | 143.6 Ų | 143.6 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | -116.3 | 99.2 | 148.9 | -82.3 | -172.2 | 177 | -179.3 | 0 | 109.5 | H92 R96 | H92-K94 PolarHBondContact O-N 3.27Å; K94-R96 PolarHBondContact O-N 3.46Å | ||
| 95 | K | 43.6 | Very low | 48.2 | Very low | 205 Ų | 205 | 144.5 Ų | 144.5 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | trans | -53.2 | 110.5 | 162.2 | -82.3 | -177.6 | 176.3 | 176.5 | 0 | 107.7 | ||||
| 96 | R | 42.6 | Very low | 48.4 | Very low | 231 Ų | 231 | 146.7 Ų | 146.7 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | -89.2 | 103.9 | 164.6 | -71.8 | -170.3 | 179.4 | -168.7 | -0.4 | 107.7 | K94 S98 | K94-R96 PolarHBondContact O-N 3.46Å; R96-S98 PolarHBondContact O-N 2.85Å; R96-S98 VanDerWaalsContact O-N 3.09Å | ||
| 97 | V | 43 | Very low | 49.4 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | trans | -61.2 | 108.8 | 160.9 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 98 | S | 44 | Very low | 50.4 | Low | 105 Ų | 105 | 142.9 Ų | 142.9 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -111.9 | 69.3 | 178.2 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | R96 F100 | R96-S98 PolarHBondContact O-N 2.85Å; R96-S98 VanDerWaalsContact O-N 3.09Å; S98-F100 PolarHBondContact O-N 3.39Å | ||
| 99 | S | 53.5 | Low | 51.4 | Low | 87 Ų | 87 | 143 Ų | 143 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | trans | -93.4 | 79.4 | 172.2 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 100 | F | 44 | Very low | 52.6 | Low | 186 Ų | 186 | 140 Ų | 140 | 82% | 0.816 | 71% | 0.71 | S | S | * | * | trans | -144.9 | 95.5 | 147.6 | -89.7 | -75.5 | 0 | 0 | 0 | 108.6 | S98 | S98-F100 PolarHBondContact O-N 3.39Š| ||
| 101 | R | 48.8 | Very low | 54 | Low | 257 Ų | 257 | 138.9 Ų | 138.9 | 97% | 0.97 | 70% | 0.696 | S | S | * | * | trans | -106.2 | 61.9 | 179.3 | -166.1 | -177.8 | -170.2 | -129.1 | 4.9 | 108.6 | ||||
| 102 | G | 49.9 | Very low | 55.4 | Low | 50 Ų | 50 | 134.5 Ų | 134.5 | 52% | 0.515 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -148.6 | 136.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||
| 103 | N | 55.1 | Low | 57.3 | Low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 79.8 | -3.4 | 179.4 | -67 | 5.4 | 0 | 0 | 0 | 119.9 | I105 L107 | N103-I105 VanDerWaalsContact C-N 3.26Å; N103-I105 PolarHBondContact O-N 2.87Å; N103-L107 PolarHBondContact O-N 3.36Å |
| 104 | K | 56.2 | Low | 58.9 | Low | 130 Ų | 130 | 133.8 Ų | 133.8 | 57% | 0.565 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.5 | -22.2 | 174.9 | -71 | -177.2 | -175.8 | 174.6 | 0 | 114.2 | K108 | K104-K108 WeakPolarHBondContact O-CB 3.27Å; K104-K108 VanDerWaalsContact O-CD 3.25Å; K104-K108 WeakPolarHBondContact O-CD 3.41Å; K104-K108 WeakPolarHBondContact O-CG 3.37Å |
| 105 | I | 57.8 | Low | 61.1 | Low | 131 Ų | 131 | 132.8 Ų | 132.8 | 67% | 0.672 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -78.1 | -55 | -177.4 | -61.5 | 168.9 | 0 | 0 | 0 | 109.5 | N103 L107 K108 D109 | N103-I105 VanDerWaalsContact C-N 3.26Å; N103-I105 PolarHBondContact O-N 2.87Å; I105-L107 PolarHBondContact O-N 2.89Å; I105-K108 PolarHBondContact O-N 3.43Å; I105-K108 VanDerWaalsContact O-N 3.17Å; I105-D109 PolarHBondContact O-N 3.2Å |
| 106 | V | 57.1 | Low | 63 | Low | 97 Ų | 97 | 127.4 Ų | 127.4 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.9 | -43.3 | -178.6 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | K108 D109 V110 | V106-K108 PolarHBondContact O-N 3.32Å; V106-D109 PolarHBondContact O-N 3.47Å; V106-V110 HydrophobicContact CG1-CG2 4.47Å; V106-V110 VanDerWaalsContact O-CG2 3.29Å; V106-V110 WeakPolarHBondContact O-CG2 3.44Å; V106-V110 PolarHBondContact O-N 3.05Å |
| 107 | L | 68.6 | Low | 65.1 | Low | 110 Ų | 110 | 120.1 Ų | 120.1 | 58% | 0.576 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.9 | -37.6 | 179.7 | -177.4 | 62.9 | 0 | 0 | 0 | 112.2 | N103 I105 D109 V110 I111 | N103-L107 PolarHBondContact O-N 3.36Å; I105-L107 PolarHBondContact O-N 2.89Å; L107-D109 VanDerWaalsContact C-N 3.33Å; L107-V110 PolarHBondContact O-N 3.03Å; L107-I111 HydrophobicContact CD1-CD1 4.06Å; L107-I111 HydrophobicContact CD1-CG1 4.31Å; L107-I111 HydrophobicContact CD2-CD1 4.48Å; L107-I111 HydrophobicContact CG-CD1 3.82Å; L107-I111 HydrophobicContact CG-CG1 4.48Å; L107-I111 WeakPolarHBondContact O-CB 3.26Å; L107-I111 WeakPolarHBondContact O-CD1 3.32Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3.48Å |
| 108 | K | 68.6 | Low | 67 | Low | 136 Ų | 136 | 117.1 Ų | 117.1 | 59% | 0.591 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.2 | -43.3 | 175.2 | -77.9 | 175.7 | -175.5 | -175.8 | 0 | 110.4 | K104 I105 V106 I111 T112 | K104-K108 WeakPolarHBondContact O-CB 3.27Å; K104-K108 VanDerWaalsContact O-CD 3.25Å; K104-K108 WeakPolarHBondContact O-CD 3.41Å; K104-K108 WeakPolarHBondContact O-CG 3.37Å; I105-K108 PolarHBondContact O-N 3.43Å; I105-K108 VanDerWaalsContact O-N 3.17Å; V106-K108 PolarHBondContact O-N 3.32Å; K108-I111 PolarHBondContact O-N 3.24Å; K108-T112 WeakPolarHBondContact O-CB 3.32Å; K108-T112 PolarHBondContact O-N 3.21Å; K108-T112 PolarHBondContact O-OG1 2.96Å |
| 109 | D | 71.7 | Confident | 69.2 | Low | 99 Ų | 99 | 116.1 Ų | 116.1 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.2 | -40.8 | -179.5 | -64.1 | -25.4 | 0 | 0 | 0 | 111.8 | I105 V106 L107 T112 L113 | I105-D109 PolarHBondContact O-N 3.2Å; V106-D109 PolarHBondContact O-N 3.47Å; L107-D109 VanDerWaalsContact C-N 3.33Å; D109-T112 PolarHBondContact O-N 2.84Å; D109-L113 VanDerWaalsContact O-CB 3.26Å; D109-L113 WeakPolarHBondContact O-CB 3.29Å; D109-L113 PolarHBondContact O-N 3.38Å |
| 110 | V | 72.3 | Confident | 70.9 | Confident | 86 Ų | 86 | 117.8 Ų | 117.8 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.2 | -42.7 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | V106 L107 T112 L113 R114 | V106-V110 HydrophobicContact CG1-CG2 4.47Å; V106-V110 VanDerWaalsContact O-CG2 3.29Å; V106-V110 WeakPolarHBondContact O-CG2 3.44Å; V106-V110 PolarHBondContact O-N 3.05Å; L107-V110 PolarHBondContact O-N 3.03Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 2.85Å; V110-L113 PolarHBondContact O-N 2.77Å; V110-R114 WeakPolarHBondContact O-CB 3.3Å; V110-R114 PolarHBondContact O-N 3.5Å |
| 111 | I | 78 | Confident | 73.1 | Confident | 72 Ų | 72 | 112.4 Ų | 112.4 | 37% | 0.369 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.7 | -39.3 | 177 | -68.3 | 166.8 | 0 | 0 | 0 | 110.7 | L107 K108 R114 R115 | L107-I111 HydrophobicContact CD1-CD1 4.06Å; L107-I111 HydrophobicContact CD1-CG1 4.31Å; L107-I111 HydrophobicContact CD2-CD1 4.48Å; L107-I111 HydrophobicContact CG-CD1 3.82Å; L107-I111 HydrophobicContact CG-CG1 4.48Å; L107-I111 WeakPolarHBondContact O-CB 3.26Å; L107-I111 WeakPolarHBondContact O-CD1 3.32Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3.48Å; K108-I111 PolarHBondContact O-N 3.24Å; I111-R114 PolarHBondContact O-N 3.27Å; I111-R115 WeakPolarHBondContact O-CB 3.32Å; I111-R115 VanDerWaalsContact O-CG 3.3Å; I111-R115 WeakPolarHBondContact O-CG 3.32Å; I111-R115 PolarHBondContact O-N 2.84Å |
| 112 | T | 81.4 | Confident | 74.8 | Confident | 86 Ų | 86 | 107.4 Ų | 107.4 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.1 | -42.8 | -179.7 | -47.9 | 0 | 0 | 0 | 0 | 110.6 | K108 D109 V110 R115 H116 | K108-T112 WeakPolarHBondContact O-CB 3.32Å; K108-T112 PolarHBondContact O-N 3.21Å; K108-T112 PolarHBondContact O-OG1 2.96Å; D109-T112 PolarHBondContact O-N 2.84Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 2.85Å; T112-R115 PolarHBondContact O-N 3.49Å; T112-H116 WeakPolarHBondContact O-CB 3.29Å; T112-H116 PolarHBondContact O-N 2.86Å |
| 113 | L | 79 | Confident | 76.5 | Confident | 112 Ų | 112 | 107.3 Ų | 107.3 | 59% | 0.586 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.6 | -45.3 | 174.9 | -174 | 65.1 | 0 | 0 | 0 | 111.4 | D109 V110 R115 H116 V117 | D109-L113 VanDerWaalsContact O-CB 3.26Å; D109-L113 WeakPolarHBondContact O-CB 3.29Å; D109-L113 PolarHBondContact O-N 3.38Å; V110-L113 PolarHBondContact O-N 2.77Å; L113-R115 PolarHBondContact O-N 3.09Å; L113-H116 PolarHBondContact O-N 3.35Å; L113-V117 WeakPolarHBondContact O-CG2 3.39Å; L113-V117 PolarHBondContact O-N 2.85Å |
| 114 | R | 84.5 | Confident | 77.9 | Confident | 169 Ų | 169 | 108.2 Ų | 108.2 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.1 | -47.7 | 175.3 | -178.8 | -177.8 | 167.8 | -164.4 | -2.1 | 111.4 | V110 I111 H116 V117 E118 | V110-R114 WeakPolarHBondContact O-CB 3.3Å; V110-R114 PolarHBondContact O-N 3.5Å; I111-R114 PolarHBondContact O-N 3.27Å; R114-H116 VanDerWaalsContact C-N 3.33Å; R114-H116 PolarHBondContact O-N 3.12Å; R114-V117 PolarHBondContact O-N 2.85Å; R114-E118 IonicContact CZ-OE1 3.29Å; R114-E118 IonicContact NE-OE1 3.75Å; R114-E118 PolarHBondContact NE-OE1 2.91Å; R114-E118 IonicContact NH2-OE1 3.17Å; R114-E118 PolarHBondContact NH2-OE1 3.22Å; R114-E118 WeakPolarHBondContact O-CB 3.48Å; R114-E118 WeakPolarHBondContact O-CG 2.85Å; R114-E118 PolarHBondContact O-N 3.45Å |
| 115 | R | 83.6 | Confident | 79.2 | Confident | 173 Ų | 173 | 106.9 Ų | 106.9 | 65% | 0.653 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.8 | -42 | 177.5 | -75.4 | 176 | 177.8 | -177 | 0.2 | 111.8 | I111 T112 L113 E118 T119 | I111-R115 WeakPolarHBondContact O-CB 3.32Å; I111-R115 VanDerWaalsContact O-CG 3.3Å; I111-R115 WeakPolarHBondContact O-CG 3.32Å; I111-R115 PolarHBondContact O-N 2.84Å; T112-R115 PolarHBondContact O-N 3.49Å; L113-R115 PolarHBondContact O-N 3.09Å; R115-E118 PolarHBondContact O-N 3.4Å; R115-T119 WeakPolarHBondContact O-CG2 3.07Å; R115-T119 PolarHBondContact O-N 2.75Å; R115-T119 PolarHBondContact O-OG1 2.98Å |
| 116 | H | 83.8 | Confident | 80.3 | Confident | 92 Ų | 92 | 109.5 Ų | 109.5 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 178.3 | 173.1 | -101.4 | 0 | 0 | 0 | 112.9 | T112 L113 R114 T119 K120 | T112-H116 WeakPolarHBondContact O-CB 3.29Å; T112-H116 PolarHBondContact O-N 2.86Å; L113-H116 PolarHBondContact O-N 3.35Å; R114-H116 VanDerWaalsContact C-N 3.33Å; R114-H116 PolarHBondContact O-N 3.12Å; H116-T119 PolarHBondContact O-OG1 3.43Å; H116-K120 VanDerWaalsContact CE1-CE 3.41Å; H116-K120 WeakPolarHBondContact CE1-CE 3.48Å; H116-K120 VanDerWaalsContact NE2-CE 3.28Å; H116-K120 WeakPolarHBondContact NE2-CE 3.38Å; H116-K120 PolarHBondContact O-N 2.99Å; H116-K120 VanDerWaalsContact O-N 3.08Å |
| 117 | V | 87 | Confident | 81.2 | Confident | 77 Ų | 77 | 112.3 Ų | 112.3 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 174.5 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | L113 R114 T119 K120 V121 | L113-V117 WeakPolarHBondContact O-CG2 3.39Å; L113-V117 PolarHBondContact O-N 2.85Å; R114-V117 PolarHBondContact O-N 2.85Å; V117-T119 PolarHBondContact O-N 3.44Å; V117-K120 PolarHBondContact O-N 3.14Å; V117-V121 HydrophobicContact CG1-CG2 4.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.04Å; V117-V121 PolarHBondContact O-N 3.45Å |
| 118 | E | 82.6 | Confident | 81.5 | Confident | 66 Ų | 66 | 116.2 Ų | 116.2 | 31% | 0.308 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 177.5 | -76.6 | -176.7 | -169.9 | 0 | 0 | 112.2 | R114 R115 V121 R122 | R114-E118 IonicContact CZ-OE1 3.29Å; R114-E118 IonicContact NE-OE1 3.75Å; R114-E118 PolarHBondContact NE-OE1 2.91Å; R114-E118 IonicContact NH2-OE1 3.17Å; R114-E118 PolarHBondContact NH2-OE1 3.22Å; R114-E118 WeakPolarHBondContact O-CB 3.48Å; R114-E118 WeakPolarHBondContact O-CG 2.85Å; R114-E118 PolarHBondContact O-N 3.45Å; R115-E118 PolarHBondContact O-N 3.4Å; E118-V121 PolarHBondContact O-N 3.01Å; E118-R122 WeakPolarHBondContact O-CB 3.3Å; E118-R122 WeakPolarHBondContact O-CG 3.24Å; E118-R122 PolarHBondContact O-N 3.38Å |
| 119 | T | 89.3 | Confident | 81.7 | Confident | 84 Ų | 84 | 116.9 Ų | 116.9 | 52% | 0.515 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 176.2 | 55.7 | 0 | 0 | 0 | 0 | 112 | R115 H116 V117 R122 A123 | R115-T119 WeakPolarHBondContact O-CG2 3.07Å; R115-T119 PolarHBondContact O-N 2.75Å; R115-T119 PolarHBondContact O-OG1 2.98Å; H116-T119 PolarHBondContact O-OG1 3.43Å; V117-T119 PolarHBondContact O-N 3.44Å; T119-R122 PolarHBondContact O-N 3.33Å; T119-A123 VanDerWaalsContact O-CB 3.31Å; T119-A123 WeakPolarHBondContact O-CB 3.31Å; T119-A123 PolarHBondContact O-N 3.24Å |
| 120 | K | 88.9 | Confident | 81.6 | Confident | 122 Ų | 122 | 116.1 Ų | 116.1 | 53% | 0.53 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 174.3 | -81.6 | -167.5 | 172.7 | 179.9 | 0 | 112.3 | H116 V117 A123 K124 | H116-K120 VanDerWaalsContact CE1-CE 3.41Å; H116-K120 WeakPolarHBondContact CE1-CE 3.48Å; H116-K120 VanDerWaalsContact NE2-CE 3.28Å; H116-K120 WeakPolarHBondContact NE2-CE 3.38Å; H116-K120 PolarHBondContact O-N 2.99Å; H116-K120 VanDerWaalsContact O-N 3.08Å; V117-K120 PolarHBondContact O-N 3.14Å; K120-A123 PolarHBondContact O-N 3.48Å; K120-K124 WeakPolarHBondContact O-CG 3.37Å; K120-K124 PolarHBondContact O-N 3.49Å |
| 121 | V | 90.1 | Very high | 81.1 | Confident | 73 Ų | 73 | 115.5 Ų | 115.5 | 44% | 0.442 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.3 | -46 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | V117 E118 A123 K124 I125 | V117-V121 HydrophobicContact CG1-CG2 4.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.04Å; V117-V121 PolarHBondContact O-N 3.45Å; E118-V121 PolarHBondContact O-N 3.01Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.03Å; V121-K124 PolarHBondContact O-N 3.13Å; V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.38Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 3.32Å |
| 122 | R | 84.8 | Confident | 80.4 | Confident | 153 Ų | 153 | 116.3 Ų | 116.3 | 58% | 0.577 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.9 | -40.9 | 176 | -73.5 | 174.7 | -173.7 | -162.4 | 4.6 | 112.2 | E118 T119 I125 R126 | E118-R122 WeakPolarHBondContact O-CB 3.3Å; E118-R122 WeakPolarHBondContact O-CG 3.24Å; E118-R122 PolarHBondContact O-N 3.38Å; T119-R122 PolarHBondContact O-N 3.33Å; R122-I125 PolarHBondContact O-N 3.03Å; R122-R126 WeakPolarHBondContact O-CB 3.42Å; R122-R126 WeakPolarHBondContact O-CG 3.41Å; R122-R126 PolarHBondContact O-N 3.43Å |
| 123 | A | 86.4 | Confident | 79.3 | Confident | 47 Ų | 47 | 119.2 Ų | 119.2 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.4 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T119 K120 V121 R126 K127 | T119-A123 VanDerWaalsContact O-CB 3.31Å; T119-A123 WeakPolarHBondContact O-CB 3.31Å; T119-A123 PolarHBondContact O-N 3.24Å; K120-A123 PolarHBondContact O-N 3.48Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.03Å; A123-R126 PolarHBondContact O-N 3.19Å; A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.43Å; A123-K127 PolarHBondContact O-N 3.45Å |
| 124 | K | 84.3 | Confident | 78.3 | Confident | 158 Ų | 158 | 118.8 Ų | 118.8 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.7 | -43.1 | 173.6 | -77.4 | -177.7 | 177.4 | -175.5 | 0 | 112.2 | K120 V121 K127 R128 | K120-K124 WeakPolarHBondContact O-CG 3.37Å; K120-K124 PolarHBondContact O-N 3.49Å; V121-K124 PolarHBondContact O-N 3.13Å; K124-K127 PolarHBondContact O-N 3.15Å; K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.48Å; K124-R128 PolarHBondContact O-N 3.31Å |
| 125 | I | 83.3 | Confident | 76.9 | Confident | 102 Ų | 102 | 116 Ų | 116 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 176.3 | -68.1 | 167.1 | 0 | 0 | 0 | 110.7 | V121 R122 R128 K129 | V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.38Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 3.32Å; R122-I125 PolarHBondContact O-N 3.03Å; I125-R128 PolarHBondContact O-N 3.33Å; I125-K129 VanDerWaalsContact O-CB 3.32Å; I125-K129 WeakPolarHBondContact O-CB 3.48Å; I125-K129 PolarHBondContact O-N 2.7Å |
| 126 | R | 80.6 | Confident | 75.6 | Confident | 185 Ų | 185 | 115.1 Ų | 115.1 | 70% | 0.698 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.1 | -47.8 | 176.2 | -75.2 | 178.5 | -179.6 | -178.7 | -0.6 | 111.5 | R122 A123 R128 K129 V130 | R122-R126 WeakPolarHBondContact O-CB 3.42Å; R122-R126 WeakPolarHBondContact O-CG 3.41Å; R122-R126 PolarHBondContact O-N 3.43Å; A123-R126 PolarHBondContact O-N 3.19Å; R126-R128 PolarHBondContact O-N 3.39Å; R126-K129 PolarHBondContact O-N 2.98Å; R126-V130 WeakPolarHBondContact O-CB 3.07Å; R126-V130 VanDerWaalsContact O-CG2 3.26Å; R126-V130 WeakPolarHBondContact O-CG2 3.33Å; R126-V130 PolarHBondContact O-N 3.25Å |
| 127 | K | 77.6 | Confident | 74.2 | Confident | 157 Ų | 157 | 118.5 Ų | 118.5 | 68% | 0.683 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -57.2 | -48.1 | 175 | -76.8 | -172.9 | 177.6 | -168.8 | 0 | 111.2 | A123 K124 K129 V130 T131 | A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.43Å; A123-K127 PolarHBondContact O-N 3.45Å; K124-K127 PolarHBondContact O-N 3.15Å; K127-K129 PolarHBondContact O-N 2.93Å; K127-V130 PolarHBondContact O-N 3.37Å; K127-T131 WeakPolarHBondContact O-CG2 3.29Å; K127-T131 PolarHBondContact O-N 3.03Å; K127-T131 PolarHBondContact O-OG1 3.09Å; K127-T131 VanDerWaalsContact O-OG1 3.09Å |
| 128 | R | 73.9 | Confident | 72.6 | Confident | 191 Ų | 191 | 120.2 Ų | 120.2 | 72% | 0.721 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.2 | -45.4 | 177.5 | -165.9 | 176.3 | -175.1 | -164.2 | 1.7 | 111.9 | K124 I125 R126 V130 T131 T132 | K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.48Å; K124-R128 PolarHBondContact O-N 3.31Å; I125-R128 PolarHBondContact O-N 3.33Å; R126-R128 PolarHBondContact O-N 3.39Å; R128-V130 PolarHBondContact O-N 3.27Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.49Å; R128-T131 PolarHBondContact O-N 2.9Å; R128-T131 PolarHBondContact O-OG1 3.11Å; R128-T132 WeakPolarHBondContact O-CB 3.4Å; R128-T132 PolarHBondContact O-N 2.93Å; R128-T132 PolarHBondContact O-OG1 2.66Å |
| 129 | K | 73.3 | Confident | 71.2 | Confident | 150 Ų | 150 | 126.3 Ų | 126.3 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.2 | -39.3 | 177.7 | -171.4 | 172.9 | -177.4 | 177.4 | 0 | 112.2 | I125 R126 K127 T132 K133 | I125-K129 VanDerWaalsContact O-CB 3.32Å; I125-K129 WeakPolarHBondContact O-CB 3.48Å; I125-K129 PolarHBondContact O-N 2.7Å; R126-K129 PolarHBondContact O-N 2.98Å; K127-K129 PolarHBondContact O-N 2.93Å; K129-T132 PolarHBondContact O-N 3.45Å; K129-K133 PolarHBondContact O-N 2.93Å |
| 130 | V | 69.9 | Low | 69.6 | Low | 84 Ų | 84 | 126.4 Ų | 126.4 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66 | -47.1 | 174.5 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | R126 K127 R128 T132 K133 I134 | R126-V130 WeakPolarHBondContact O-CB 3.07Å; R126-V130 VanDerWaalsContact O-CG2 3.26Å; R126-V130 WeakPolarHBondContact O-CG2 3.33Å; R126-V130 PolarHBondContact O-N 3.25Å; K127-V130 PolarHBondContact O-N 3.37Å; R128-V130 PolarHBondContact O-N 3.27Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 3.37Å; V130-K133 WeakPolarHBondContact O-CB 3.3Å; V130-K133 PolarHBondContact O-N 3.31Å; V130-K133 VanDerWaalsContact O-N 3.12Å; V130-I134 HydrophobicContact CG1-CD1 3.74Å; V130-I134 HydrophobicContact CG1-CG1 4.39Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.47Å; V130-I134 PolarHBondContact O-N 2.75Å |
| 131 | T | 60.3 | Low | 68 | Low | 73 Ų | 73 | 127.1 Ų | 127.1 | 45% | 0.448 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.5 | -35.5 | 176.2 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | K127 R128 I134 N135 | K127-T131 WeakPolarHBondContact O-CG2 3.29Å; K127-T131 PolarHBondContact O-N 3.03Å; K127-T131 PolarHBondContact O-OG1 3.09Å; K127-T131 VanDerWaalsContact O-OG1 3.09Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.49Å; R128-T131 PolarHBondContact O-N 2.9Å; R128-T131 PolarHBondContact O-OG1 3.11Å; T131-I134 PolarHBondContact O-N 3.23Å; T131-N135 WeakPolarHBondContact O-CB 3.18Å; T131-N135 PolarHBondContact O-N 3.09Å; T131-N135 PolarHBondContact O-ND2 2.95Å |
| 132 | T | 63.6 | Low | 66.2 | Low | 89 Ų | 89 | 126.2 Ų | 126.2 | 55% | 0.546 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68 | -35.7 | 174.2 | -59 | 0 | 0 | 0 | 0 | 111.7 | R128 K129 V130 H136 | R128-T132 WeakPolarHBondContact O-CB 3.4Å; R128-T132 PolarHBondContact O-N 2.93Å; R128-T132 PolarHBondContact O-OG1 2.66Å; K129-T132 PolarHBondContact O-N 3.45Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 3.37Å; T132-H136 PolarHBondContact O-N 3.45Å |
| 133 | K | 58.5 | Low | 64.7 | Low | 146 Ų | 146 | 127.8 Ų | 127.8 | 64% | 0.635 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.7 | -41.4 | 172.8 | -101 | -168.8 | 169.3 | -166.6 | 0 | 112.5 | K129 V130 N135 H136 H137 | K129-K133 PolarHBondContact O-N 2.93Å; V130-K133 WeakPolarHBondContact O-CB 3.3Å; V130-K133 PolarHBondContact O-N 3.31Å; V130-K133 VanDerWaalsContact O-N 3.12Å; K133-N135 VanDerWaalsContact C-N 3.32Å; K133-N135 PolarHBondContact O-N 3.46Å; K133-H136 WeakPolarHBondContact O-CB 3.49Å; K133-H136 PolarHBondContact O-N 3.38Å; K133-H137 PolarHBondContact O-N 3.23Å |
| 134 | I | 58.2 | Low | 63.2 | Low | 103 Ų | 103 | 136 Ų | 136 | 53% | 0.528 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -61.5 | -42.9 | 176.3 | -66.8 | 166.2 | 0 | 0 | 0 | 109.8 | V130 T131 H136 H137 D138 | V130-I134 HydrophobicContact CG1-CD1 3.74Å; V130-I134 HydrophobicContact CG1-CG1 4.39Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.47Å; V130-I134 PolarHBondContact O-N 2.75Å; T131-I134 PolarHBondContact O-N 3.23Å; I134-H136 PolarHBondContact O-N 3.11Å; I134-H136 VanDerWaalsContact O-N 3.13Å; I134-H137 PolarHBondContact O-N 3.35Å; I134-D138 PolarHBondContact O-N 2.92Å |
| 135 | N | 55.9 | Low | 61.8 | Low | 111 Ų | 111 | 134 Ų | 134 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.1 | -10.5 | 173.4 | -78.1 | -24.3 | 0 | 0 | 0 | 115 | T131 K133 | T131-N135 WeakPolarHBondContact O-CB 3.18Å; T131-N135 PolarHBondContact O-N 3.09Å; T131-N135 PolarHBondContact O-ND2 2.95Å; K133-N135 VanDerWaalsContact C-N 3.32Å; K133-N135 PolarHBondContact O-N 3.46Å |
| 136 | H | 56.5 | Low | 60.7 | Low | 154 Ų | 154 | 131.9 Ų | 131.9 | 71% | 0.713 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -91.7 | -21.2 | 172.6 | -162 | -33.4 | 0 | 0 | 0 | 111.8 | T132 K133 I134 | T132-H136 PolarHBondContact O-N 3.45Å; K133-H136 WeakPolarHBondContact O-CB 3.49Å; K133-H136 PolarHBondContact O-N 3.38Å; I134-H136 PolarHBondContact O-N 3.11Å; I134-H136 VanDerWaalsContact O-N 3.13Å |
| 137 | H | 53.7 | Low | 60.1 | Low | 163 Ų | 163 | 125.1 Ų | 125.1 | 76% | 0.755 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -88.1 | -13.5 | 179.6 | -89.3 | -76.5 | 0 | 0 | 0 | 114.4 | K133 I134 K139 | K133-H137 PolarHBondContact O-N 3.23Å; I134-H137 PolarHBondContact O-N 3.35Å; H137-K139 VanDerWaalsContact C-N 3.32Å; H137-K139 PolarHBondContact O-N 3.49Å |
| 138 | D | 53.2 | Low | 59.9 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -66.5 | 99.7 | 158.5 | -78.4 | -16.1 | 0 | 0 | 0 | 107.7 | I134 I140 | I134-D138 PolarHBondContact O-N 2.92Å; D138-I140 PolarHBondContact O-N 3.04Å |
| 139 | K | 53.1 | Low | 59.9 | Low | 194 Ų | 194 | 124.4 Ų | 124.4 | 84% | 0.843 | 61% | 0.609 | S | S | * | * | trans | -50.8 | 90.3 | 166 | -81.5 | 175.1 | 174.8 | 174.9 | 0 | 107.7 | H137 N141 | H137-K139 VanDerWaalsContact C-N 3.32Å; H137-K139 PolarHBondContact O-N 3.49Å; K139-N141 VanDerWaalsContact C-N 3.32Å; K139-N141 PolarHBondContact O-N 2.85Å | ||
| 140 | I | 56 | Low | 60 | Low | 86 Ų | 86 | 123.3 Ų | 123.3 | 44% | 0.441 | 61% | 0.607 | S | S | . | * | trans | -55.1 | 103.3 | 165.8 | -72 | 145.1 | 0 | 0 | 0 | 105 | D138 G142 K145 | D138-I140 PolarHBondContact O-N 3.04Å; I140-G142 PolarHBondContact O-N 2.91Å; I140-K145 HydrophobicContact CG2-CD 3.44Å; I140-K145 VanDerWaalsContact CG2-CD 3.44Å; I140-K145 HydrophobicContact CG2-CG 3.7Å | ||
| 141 | N | 55.5 | Low | 60.8 | Low | 137 Ų | 137 | 126 Ų | 126 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | trans | -46.3 | 101.4 | 169.6 | -83.4 | -33.5 | 0 | 0 | 0 | 108.6 | K139 K143 R144 | K139-N141 VanDerWaalsContact C-N 3.32Å; K139-N141 PolarHBondContact O-N 2.85Å; N141-K143 PolarHBondContact O-N 3.45Å; N141-R144 PolarHBondContact O-N 3.04Å; N141-R144 VanDerWaalsContact O-N 3.13Å | ||
| 142 | G | 51.5 | Low | 62.1 | Low | 54 Ų | 54 | 127.7 Ų | 127.7 | 56% | 0.557 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -57.2 | -19.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I140 S146 | I140-G142 PolarHBondContact O-N 2.91Å; G142-S146 PolarHBondContact O-N 3.49Å; G142-S146 PolarHBondContact O-OG 2.88Å; G142-S146 VanDerWaalsContact O-OG 3.12Å |
| 143 | K | 54.3 | Low | 63.1 | Low | 186 Ų | 186 | 129.6 Ų | 129.6 | 81% | 0.809 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.7 | -32.9 | 179.3 | -63.1 | -172.6 | 179.4 | -177 | 0 | 114.4 | N141 S146 A147 | N141-K143 PolarHBondContact O-N 3.45Å; K143-S146 PolarHBondContact O-OG 2.92Å; K143-S146 VanDerWaalsContact O-OG 3.05Å; K143-A147 WeakPolarHBondContact O-CB 3.45Å; K143-A147 PolarHBondContact O-N 3.36Å |
| 144 | R | 53.9 | Low | 64.5 | Low | 220 Ų | 220 | 128.4 Ų | 128.4 | 83% | 0.83 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -82.7 | -32 | -176.3 | -155.9 | 174.4 | -170.9 | 164.8 | 2.5 | 112.7 | N141 R148 | N141-R144 PolarHBondContact O-N 3.04Å; N141-R144 VanDerWaalsContact O-N 3.13Å; R144-R148 PolarHBondContact O-N 2.98Å |
| 145 | K | 54.5 | Low | 66 | Low | 116 Ų | 116 | 132.8 Ų | 132.8 | 50% | 0.504 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -76.8 | -34.2 | 176.3 | -69.8 | -160.1 | -173.8 | 169.7 | 0 | 112.4 | I140 K149 | I140-K145 HydrophobicContact CG2-CD 3.44Å; I140-K145 VanDerWaalsContact CG2-CD 3.44Å; I140-K145 HydrophobicContact CG2-CG 3.7Å; K145-K149 WeakPolarHBondContact O-CB 3.21Å; K145-K149 VanDerWaalsContact O-CG 3.3Å; K145-K149 WeakPolarHBondContact O-CG 3.47Å; K145-K149 PolarHBondContact O-N 3.45Å |
| 146 | S | 60.8 | Low | 67.6 | Low | 57 Ų | 57 | 130.2 Ų | 130.2 | 40% | 0.399 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.5 | -45.3 | 173.8 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | G142 K143 R148 K149 Q150 | G142-S146 PolarHBondContact O-N 3.49Å; G142-S146 PolarHBondContact O-OG 2.88Å; G142-S146 VanDerWaalsContact O-OG 3.12Å; K143-S146 PolarHBondContact O-OG 2.92Å; K143-S146 VanDerWaalsContact O-OG 3.05Å; S146-R148 PolarHBondContact O-N 3.36Å; S146-K149 PolarHBondContact O-N 3.09Å; S146-Q150 WeakPolarHBondContact O-CB 3.44Å; S146-Q150 PolarHBondContact O-N 3.13Å |
| 147 | A | 68.4 | Low | 69.2 | Low | 42 Ų | 42 | 127.1 Ų | 127.1 | 35% | 0.347 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.1 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K143 K151 | K143-A147 WeakPolarHBondContact O-CB 3.45Å; K143-A147 PolarHBondContact O-N 3.36Å; A147-K151 WeakPolarHBondContact O-CB 3.38Å; A147-K151 WeakPolarHBondContact O-CG 3.35Å; A147-K151 PolarHBondContact O-N 3.27Å |
| 148 | R | 72.5 | Confident | 70.9 | Confident | 186 Ų | 186 | 123.4 Ų | 123.4 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.5 | -37.7 | 176.6 | -166.5 | 179.2 | 176.2 | 174.2 | -0.3 | 112 | R144 S146 M152 | R144-R148 PolarHBondContact O-N 2.98Å; S146-R148 PolarHBondContact O-N 3.36Å; R148-M152 HydrophobicContact CG-CE 4.24Å; R148-M152 WeakPolarHBondContact O-CG 3.31Å; R148-M152 PolarHBondContact O-N 3.32Å |
| 149 | K | 75 | Confident | 72.7 | Confident | 147 Ų | 147 | 123.4 Ų | 123.4 | 64% | 0.639 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66 | -44 | 174.4 | -79.6 | -177.2 | 174.8 | -170.9 | 0 | 112 | K145 S146 K151 M152 F153 | K145-K149 WeakPolarHBondContact O-CB 3.21Å; K145-K149 VanDerWaalsContact O-CG 3.3Å; K145-K149 WeakPolarHBondContact O-CG 3.47Å; K145-K149 PolarHBondContact O-N 3.45Å; S146-K149 PolarHBondContact O-N 3.09Å; K149-K151 PolarHBondContact O-N 3.48Å; K149-M152 HydrophobicContact CG-CE 4.49Å; K149-M152 PolarHBondContact O-N 2.85Å; K149-F153 WeakPolarHBondContact O-CB 3.43Å; K149-F153 PolarHBondContact O-N 3.4Å |
| 150 | Q | 75.3 | Confident | 74.3 | Confident | 128 Ų | 128 | 122.4 Ų | 122.4 | 60% | 0.598 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.9 | -43.4 | 174.6 | -80.3 | 177.6 | -20.2 | 0 | 0 | 111.8 | S146 M152 F153 Q154 | S146-Q150 WeakPolarHBondContact O-CB 3.44Å; S146-Q150 PolarHBondContact O-N 3.13Å; Q150-M152 PolarHBondContact O-N 2.78Å; Q150-F153 PolarHBondContact O-N 2.96Å; Q150-Q154 WeakPolarHBondContact O-CB 3.22Å; Q150-Q154 WeakPolarHBondContact O-CG 3.46Å; Q150-Q154 PolarHBondContact O-N 3.35Å |
| 151 | K | 86 | Confident | 75.7 | Confident | 140 Ų | 140 | 125.9 Ų | 125.9 | 61% | 0.609 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.1 | -39.3 | 174.7 | -75.5 | -178.3 | 179.5 | -172.4 | 0 | 113 | A147 K149 R155 | A147-K151 WeakPolarHBondContact O-CB 3.38Å; A147-K151 WeakPolarHBondContact O-CG 3.35Å; A147-K151 PolarHBondContact O-N 3.27Å; K149-K151 PolarHBondContact O-N 3.48Å; K151-R155 WeakPolarHBondContact O-CB 3.49Å; K151-R155 WeakPolarHBondContact O-CG 3.31Å; K151-R155 PolarHBondContact O-N 3.48Å |
| 152 | M | 87.8 | Confident | 77.1 | Confident | 108 Ų | 108 | 126.6 Ų | 126.6 | 53% | 0.532 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.2 | -39.1 | 174.9 | -75 | -170.9 | -73.9 | 0 | 0 | 112 | R148 K149 Q150 R155 A156 | R148-M152 HydrophobicContact CG-CE 4.24Å; R148-M152 WeakPolarHBondContact O-CG 3.31Å; R148-M152 PolarHBondContact O-N 3.32Å; K149-M152 HydrophobicContact CG-CE 4.49Å; K149-M152 PolarHBondContact O-N 2.85Å; Q150-M152 PolarHBondContact O-N 2.78Å; M152-R155 PolarHBondContact O-N 2.8Å; M152-A156 WeakPolarHBondContact O-CB 3.46Å; M152-A156 PolarHBondContact O-N 3.22Å |
| 153 | F | 84.3 | Confident | 78.6 | Confident | 130 Ų | 130 | 126.9 Ų | 126.9 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.2 | -44 | 176.6 | -171.7 | -103.5 | 0 | 0 | 0 | 112 | K149 Q150 R155 A156 Q157 | K149-F153 WeakPolarHBondContact O-CB 3.43Å; K149-F153 PolarHBondContact O-N 3.4Å; Q150-F153 PolarHBondContact O-N 2.96Å; F153-R155 PolarHBondContact O-N 2.84Å; F153-A156 PolarHBondContact O-N 3.05Å; F153-Q157 HydrophobicContact CE1-CG 4.29Å; F153-Q157 WeakPolarHBondContact O-CG 3.36Å; F153-Q157 PolarHBondContact O-N 3.46Å |
| 154 | Q | 87.2 | Confident | 79.8 | Confident | 121 Ų | 121 | 122.2 Ų | 122.2 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.3 | -44.4 | 173 | -75.2 | 175.7 | -14.1 | 0 | 0 | 111.7 | Q150 A156 Q157 E158 | Q150-Q154 WeakPolarHBondContact O-CB 3.22Å; Q150-Q154 WeakPolarHBondContact O-CG 3.46Å; Q150-Q154 PolarHBondContact O-N 3.35Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.32Å; Q154-Q157 PolarHBondContact O-N 3.2Å; Q154-E158 WeakPolarHBondContact O-CB 3.43Å; Q154-E158 PolarHBondContact O-N 3.43Å |
| 155 | R | 90.5 | Very high | 81.1 | Confident | 194 Ų | 194 | 115.4 Ų | 115.4 | 73% | 0.732 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 175.4 | -78.9 | -177.3 | 179.4 | -169.4 | -1.3 | 113 | K151 M152 F153 E158 L159 | K151-R155 WeakPolarHBondContact O-CB 3.49Å; K151-R155 WeakPolarHBondContact O-CG 3.31Å; K151-R155 PolarHBondContact O-N 3.48Å; M152-R155 PolarHBondContact O-N 2.8Å; F153-R155 PolarHBondContact O-N 2.84Å; R155-E158 PolarHBondContact O-N 3.29Å; R155-L159 WeakPolarHBondContact O-CB 3.43Å; R155-L159 WeakPolarHBondContact O-CG 3.39Å; R155-L159 PolarHBondContact O-N 3.3Å |
| 156 | A | 89.3 | Confident | 82 | Confident | 57 Ų | 57 | 116.8 Ų | 116.8 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | M152 F153 Q154 R160 | M152-A156 WeakPolarHBondContact O-CB 3.46Å; M152-A156 PolarHBondContact O-N 3.22Å; F153-A156 PolarHBondContact O-N 3.05Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.32Å; A156-R160 WeakPolarHBondContact O-CB 3.44Å; A156-R160 PolarHBondContact O-N 3.42Å |
| 157 | Q | 90.1 | Very high | 82.4 | Confident | 89 Ų | 89 | 119.6 Ų | 119.6 | 42% | 0.416 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 174 | -74.4 | -174.1 | -23.4 | 0 | 0 | 112.4 | F153 Q154 R160 R161 | F153-Q157 HydrophobicContact CE1-CG 4.29Å; F153-Q157 WeakPolarHBondContact O-CG 3.36Å; F153-Q157 PolarHBondContact O-N 3.46Å; Q154-Q157 PolarHBondContact O-N 3.2Å; Q157-R160 WeakPolarHBondContact O-CB 3.34Å; Q157-R160 PolarHBondContact O-N 2.78Å; Q157-R161 WeakPolarHBondContact O-CG 3.45Å; Q157-R161 PolarHBondContact O-N 3.18Å |
| 158 | E | 90.4 | Very high | 82.4 | Confident | 86 Ų | 86 | 122.1 Ų | 122.1 | 40% | 0.402 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 175 | -177.7 | 72.8 | -167.5 | 0 | 0 | 111.5 | Q154 R155 R160 R161 R162 | Q154-E158 WeakPolarHBondContact O-CB 3.43Å; Q154-E158 PolarHBondContact O-N 3.43Å; R155-E158 PolarHBondContact O-N 3.29Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 3.38Å; E158-R161 PolarHBondContact O-N 3.13Å; E158-R162 WeakPolarHBondContact O-CG 3.44Å; E158-R162 PolarHBondContact O-N 2.88Å; E158-R162 IonicContact OE1-CZ 3.34Å; E158-R162 IonicContact OE1-NE 3.18Å; E158-R162 PolarHBondContact OE1-NE 3.04Å; E158-R162 IonicContact OE1-NH2 3.02Å; E158-R162 PolarHBondContact OE1-NH2 3.17Å |
| 159 | L | 90.4 | Very high | 82.3 | Confident | 113 Ų | 113 | 118.8 Ų | 118.8 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.1 | -39 | 176.1 | -74.4 | 171.5 | 0 | 0 | 0 | 112.1 | R155 R162 A163 | R155-L159 WeakPolarHBondContact O-CB 3.43Å; R155-L159 WeakPolarHBondContact O-CG 3.39Å; R155-L159 PolarHBondContact O-N 3.3Å; L159-R162 PolarHBondContact O-N 2.95Å; L159-A163 WeakPolarHBondContact O-CB 3.45Å; L159-A163 PolarHBondContact O-N 3.38Å |
| 160 | R | 85.9 | Confident | 82.1 | Confident | 173 Ų | 173 | 118.3 Ų | 118.3 | 65% | 0.653 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.3 | -45.3 | 175.7 | -174.9 | 177.8 | 175.1 | 163.3 | 4.2 | 111.7 | A156 Q157 E158 R162 A163 E164 | A156-R160 WeakPolarHBondContact O-CB 3.44Å; A156-R160 PolarHBondContact O-N 3.42Å; Q157-R160 WeakPolarHBondContact O-CB 3.34Å; Q157-R160 PolarHBondContact O-N 2.78Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 3.38Å; R160-R162 PolarHBondContact O-N 3.37Å; R160-A163 PolarHBondContact O-N 3.03Å; R160-E164 WeakPolarHBondContact CG-OE1 3.48Å; R160-E164 IonicContact NE-OE1 2.84Å; R160-E164 PolarHBondContact NE-OE1 3.42Å; R160-E164 WeakPolarHBondContact O-CG 3.3Å; R160-E164 PolarHBondContact O-N 3.05Å |
| 161 | R | 86.1 | Confident | 81.7 | Confident | 159 Ų | 159 | 113.6 Ų | 113.6 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.5 | -43.7 | 175.6 | -72.9 | 179.7 | 179.6 | 177.5 | -1.4 | 111.7 | Q157 E158 A163 E164 D165 | Q157-R161 WeakPolarHBondContact O-CG 3.45Å; Q157-R161 PolarHBondContact O-N 3.18Å; E158-R161 PolarHBondContact O-N 3.13Å; R161-A163 VanDerWaalsContact C-N 3.35Å; R161-A163 PolarHBondContact O-N 3.44Å; R161-E164 PolarHBondContact O-N 3.13Å; R161-D165 WeakPolarHBondContact O-CB 3.43Å; R161-D165 PolarHBondContact O-N 3.37Å |
| 162 | R | 85.4 | Confident | 81 | Confident | 152 Ų | 152 | 110.4 Ų | 110.4 | 57% | 0.574 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -38.3 | 175.9 | -71.2 | -178.6 | -167.6 | 174.7 | 2.8 | 113.2 | E158 L159 R160 D165 Y166 | E158-R162 WeakPolarHBondContact O-CG 3.44Å; E158-R162 PolarHBondContact O-N 2.88Å; E158-R162 IonicContact OE1-CZ 3.34Å; E158-R162 IonicContact OE1-NE 3.18Å; E158-R162 PolarHBondContact OE1-NE 3.04Å; E158-R162 IonicContact OE1-NH2 3.02Å; E158-R162 PolarHBondContact OE1-NH2 3.17Å; L159-R162 PolarHBondContact O-N 2.95Å; R160-R162 PolarHBondContact O-N 3.37Å; R162-D165 PolarHBondContact O-N 3.1Å; R162-Y166 VanDerWaalsContact O-CB 3.27Å; R162-Y166 WeakPolarHBondContact O-CB 3.36Å; R162-Y166 PolarHBondContact O-N 3.05Å |
| 163 | A | 82.1 | Confident | 80 | Confident | 60 Ų | 60 | 110.2 Ų | 110.2 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L159 R160 R161 Y166 H167 | L159-A163 WeakPolarHBondContact O-CB 3.45Å; L159-A163 PolarHBondContact O-N 3.38Å; R160-A163 PolarHBondContact O-N 3.03Å; R161-A163 VanDerWaalsContact C-N 3.35Å; R161-A163 PolarHBondContact O-N 3.44Å; A163-Y166 PolarHBondContact O-N 3.26Å; A163-H167 WeakPolarHBondContact O-CB 3.46Å; A163-H167 PolarHBondContact O-N 3.37Å |
| 164 | E | 79.8 | Confident | 79.1 | Confident | 88 Ų | 88 | 108.4 Ų | 108.4 | 41% | 0.411 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 175 | -72.8 | 172.4 | -165.5 | 0 | 0 | 111.5 | R160 R161 H167 K168 | R160-E164 WeakPolarHBondContact CG-OE1 3.48Å; R160-E164 IonicContact NE-OE1 2.84Å; R160-E164 PolarHBondContact NE-OE1 3.42Å; R160-E164 WeakPolarHBondContact O-CG 3.3Å; R160-E164 PolarHBondContact O-N 3.05Å; R161-E164 PolarHBondContact O-N 3.13Å; E164-H167 PolarHBondContact O-N 2.9Å; E164-K168 VanDerWaalsContact O-CG 3.31Å; E164-K168 WeakPolarHBondContact O-CG 3.47Å; E164-K168 PolarHBondContact O-N 3.35Å |
| 165 | D | 82.2 | Confident | 78.1 | Confident | 77 Ų | 77 | 104.2 Ų | 104.2 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.1 | -37.4 | 177.7 | -69.2 | -21.6 | 0 | 0 | 0 | 112.3 | R161 R162 H167 K168 C169 | R161-D165 WeakPolarHBondContact O-CB 3.43Å; R161-D165 PolarHBondContact O-N 3.37Å; R162-D165 PolarHBondContact O-N 3.1Å; D165-H167 VanDerWaalsContact C-N 3.33Å; D165-H167 PolarHBondContact O-N 3.44Å; D165-K168 WeakPolarHBondContact O-CB 3.37Å; D165-K168 PolarHBondContact O-N 2.83Å; D165-K168 IonicContact OD1-NZ 3.46Å; D165-K168 PolarHBondContact OD1-NZ 3.24Å; D165-C169 PolarHBondContact O-N 3.12Å; D165-C169 PolarHBondContact O-SG 3.32Å |
| 166 | Y | 73 | Confident | 77 | Confident | 146 Ų | 146 | 99.3 Ų | 99.3 | 57% | 0.573 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.3 | -42.5 | 170.6 | -178 | -99.2 | 0 | 0 | 0 | 112 | R162 A163 K168 C169 K170 | R162-Y166 VanDerWaalsContact O-CB 3.27Å; R162-Y166 WeakPolarHBondContact O-CB 3.36Å; R162-Y166 PolarHBondContact O-N 3.05Å; A163-Y166 PolarHBondContact O-N 3.26Å; Y166-K168 VanDerWaalsContact C-N 3.34Å; Y166-C169 PolarHBondContact O-N 2.91Å; Y166-K170 HydrophobicContact CD1-CD 4.3Å; Y166-K170 HydrophobicContact CE1-CD 3.57Å; Y166-K170 HydrophobicContact CE1-CG 4.28Å; Y166-K170 HydrophobicContact CE2-CD 4.42Å; Y166-K170 WeakPolarHBondContact O-CB 3.35Å; Y166-K170 PolarHBondContact O-N 3.23Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; Y166-K170 PolarHBondContact OH-NZ 2.89Å |
| 167 | H | 69.7 | Low | 76.1 | Confident | 116 Ų | 116 | 104 Ų | 104 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 175.7 | -171.3 | 72.7 | 0 | 0 | 0 | 111.9 | A163 E164 D165 I171 | A163-H167 WeakPolarHBondContact O-CB 3.46Å; A163-H167 PolarHBondContact O-N 3.37Å; E164-H167 PolarHBondContact O-N 2.9Å; D165-H167 VanDerWaalsContact C-N 3.33Å; D165-H167 PolarHBondContact O-N 3.44Å; H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3Å; H167-I171 PolarHBondContact O-N 3.25Å |
| 168 | K | 67.7 | Low | 75.1 | Confident | 94 Ų | 94 | 102.7 Ų | 102.7 | 41% | 0.409 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 171.7 | -72.2 | 172.4 | -166.2 | 160.9 | 0 | 111 | E164 D165 Y166 K170 I171 R176 | E164-K168 VanDerWaalsContact O-CG 3.31Å; E164-K168 WeakPolarHBondContact O-CG 3.47Å; E164-K168 PolarHBondContact O-N 3.35Å; D165-K168 WeakPolarHBondContact O-CB 3.37Å; D165-K168 PolarHBondContact O-N 2.83Å; D165-K168 IonicContact OD1-NZ 3.46Å; D165-K168 PolarHBondContact OD1-NZ 3.24Å; Y166-K168 VanDerWaalsContact C-N 3.34Å; K168-K170 VanDerWaalsContact C-N 3.3Å; K168-K170 PolarHBondContact O-N 3.18Å; K168-I171 PolarHBondContact O-N 2.86Å; K168-I171 VanDerWaalsContact O-O 3.07Å; K168-R176 VanDerWaalsContact CB-NH2 3.31Å; K168-R176 PolarHBondContact O-NH2 3.49Å |
| 169 | C | 69.3 | Low | 74.1 | Confident | 116 Ų | 116 | 102.8 Ų | 102.8 | 78% | 0.784 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.6 | -27.6 | -177.3 | -65.4 | 0 | 0 | 0 | 0 | 113.3 | D165 Y166 | D165-C169 PolarHBondContact O-N 3.12Å; D165-C169 PolarHBondContact O-SG 3.32Å; Y166-C169 PolarHBondContact O-N 2.91Å |
| 170 | K | 70.9 | Confident | 73 | Confident | 137 Ų | 137 | 101.3 Ų | 101.3 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -81.2 | -25.2 | 177.4 | -87.9 | -161.3 | 163.8 | -176.9 | 0 | 115 | Y166 K168 | Y166-K170 HydrophobicContact CD1-CD 4.3Å; Y166-K170 HydrophobicContact CE1-CD 3.57Å; Y166-K170 HydrophobicContact CE1-CG 4.28Å; Y166-K170 HydrophobicContact CE2-CD 4.42Å; Y166-K170 WeakPolarHBondContact O-CB 3.35Å; Y166-K170 PolarHBondContact O-N 3.23Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; Y166-K170 PolarHBondContact OH-NZ 2.89Å; K168-K170 VanDerWaalsContact C-N 3.3Å; K168-K170 PolarHBondContact O-N 3.18Å |
| 171 | I | 67 | Low | 72.4 | Confident | 29 Ų | 29 | 97.2 Ų | 97.2 | 15% | 0.149 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -107.4 | 113.7 | -177.9 | -53.9 | -174.5 | 0 | 0 | 0 | 109.7 | H167 K168 A175 R176 L179 | H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3Å; H167-I171 PolarHBondContact O-N 3.25Å; K168-I171 PolarHBondContact O-N 2.86Å; K168-I171 VanDerWaalsContact O-O 3.07Å; I171-A175 HydrophobicContact CG2-CB 3.74Å; I171-R176 HydrophobicContact CB-CG 4Å; I171-R176 HydrophobicContact CG2-CB 4.48Å; I171-R176 HydrophobicContact CG2-CG 3.49Å; I171-R176 VanDerWaalsContact CG2-CG 3.49Å; I171-R176 PolarHBondContact O-NE 3.3Å; I171-R176 VanDerWaalsContact O-NE 3.11Å; I171-R176 PolarHBondContact O-NH2 2.85Å; I171-L179 HydrophobicContact CD1-CD1 4.42Å |
| 172 | P | 71.8 | Confident | 71.8 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | trans | -59.3 | 145.7 | 177.5 | 21.7 | -29.1 | 0 | 0 | 0 | 110.3 | S174 A175 R176 | P172-S174 PolarHBondContact O-N 3.47Å; P172-A175 HydrophobicContact CG-CB 3.87Å; P172-A175 PolarHBondContact O-N 3.35Å; P172-R176 PolarHBondContact O-N 2.88Å | ||
| 173 | P | 66.9 | Low | 71.1 | Confident | 105 Ų | 105 | 94.8 Ų | 94.8 | 68% | 0.682 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -52.5 | -33.7 | -175 | -28.1 | 34.6 | 0 | 0 | 0 | 114.2 | R176 K177 | P173-R176 PolarHBondContact O-N 2.78Å; P173-K177 PolarHBondContact O-N 3.25Å |
| 174 | S | 66 | Low | 70.6 | Confident | 91 Ų | 91 | 101 Ų | 101 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64 | -43.4 | 175.7 | 52.9 | 0 | 0 | 0 | 0 | 113 | P172 R176 K177 A178 | P172-S174 PolarHBondContact O-N 3.47Å; S174-R176 VanDerWaalsContact C-N 3.33Å; S174-R176 PolarHBondContact O-N 2.98Å; S174-K177 PolarHBondContact O-N 3.43Å; S174-A178 PolarHBondContact O-N 3.01Å |
| 175 | A | 66.3 | Low | 70 | Confident | 34 Ų | 34 | 102.7 Ų | 102.7 | 28% | 0.281 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.7 | -28 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I171 P172 A178 L179 | I171-A175 HydrophobicContact CG2-CB 3.74Å; P172-A175 HydrophobicContact CG-CB 3.87Å; P172-A175 PolarHBondContact O-N 3.35Å; A175-A178 PolarHBondContact O-N 2.98Å; A175-L179 WeakPolarHBondContact O-CB 3.39Å; A175-L179 PolarHBondContact O-N 3.01Å |
| 176 | R | 67.6 | Low | 69.1 | Low | 91 Ų | 91 | 100.5 Ų | 100.5 | 34% | 0.343 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 172.8 | -60.5 | -169.7 | -157.6 | 158.2 | 12.4 | 112.1 | K168 I171 P172 P173 S174 L179 C180 | K168-R176 VanDerWaalsContact CB-NH2 3.31Å; K168-R176 PolarHBondContact O-NH2 3.49Å; I171-R176 HydrophobicContact CB-CG 4Å; I171-R176 HydrophobicContact CG2-CB 4.48Å; I171-R176 HydrophobicContact CG2-CG 3.49Å; I171-R176 VanDerWaalsContact CG2-CG 3.49Å; I171-R176 PolarHBondContact O-NE 3.3Å; I171-R176 VanDerWaalsContact O-NE 3.11Å; I171-R176 PolarHBondContact O-NH2 2.85Å; P172-R176 PolarHBondContact O-N 2.88Å; P173-R176 PolarHBondContact O-N 2.78Å; S174-R176 VanDerWaalsContact C-N 3.33Å; S174-R176 PolarHBondContact O-N 2.98Å; R176-L179 PolarHBondContact O-N 3.49Å; R176-C180 WeakPolarHBondContact O-CB 3.32Å; R176-C180 PolarHBondContact O-N 2.87Å; R176-C180 PolarHBondContact O-SG 3.45Å; R176-C180 VanDerWaalsContact O-SG 3.37Å |
| 177 | K | 69.3 | Low | 68.5 | Low | 154 Ų | 154 | 95.7 Ų | 95.7 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.9 | -40.6 | 178.5 | -158 | 175.2 | -175 | -178.8 | 0 | 111 | P173 S174 N181 | P173-K177 PolarHBondContact O-N 3.25Å; S174-K177 PolarHBondContact O-N 3.43Å; K177-N181 WeakPolarHBondContact O-CB 3.5Å; K177-N181 VanDerWaalsContact O-CG 3.26Å; K177-N181 PolarHBondContact O-N 3.46Å |
| 178 | A | 69.9 | Low | 68.1 | Low | 62 Ų | 62 | 91.6 Ų | 91.6 | 51% | 0.512 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S174 A175 N181 W182 | S174-A178 PolarHBondContact O-N 3.01Å; A175-A178 PolarHBondContact O-N 2.98Å; A178-N181 PolarHBondContact O-N 3.35Å; A178-W182 WeakPolarHBondContact O-CB 3.39Å; A178-W182 PolarHBondContact O-N 3.25Å |
| 179 | L | 68.7 | Low | 67.5 | Low | 89 Ų | 89 | 94 Ų | 94 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.9 | -109 | 139.5 | 0 | 0 | 0 | 112.6 | I171 A175 R176 N181 W182 V183 | I171-L179 HydrophobicContact CD1-CD1 4.42Å; A175-L179 WeakPolarHBondContact O-CB 3.39Å; A175-L179 PolarHBondContact O-N 3.01Å; R176-L179 PolarHBondContact O-N 3.49Å; L179-N181 VanDerWaalsContact C-N 3.33Å; L179-N181 PolarHBondContact O-N 2.97Å; L179-W182 PolarHBondContact O-N 2.94Å; L179-V183 WeakPolarHBondContact O-CB 3.43Å; L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.38Å; L179-V183 PolarHBondContact O-N 2.95Å |
| 180 | C | 67.6 | Low | 66.7 | Low | 82 Ų | 82 | 95.5 Ų | 95.5 | 55% | 0.554 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 176.6 | -75 | 0 | 0 | 0 | 0 | 112.3 | R176 R184 | R176-C180 WeakPolarHBondContact O-CB 3.32Å; R176-C180 PolarHBondContact O-N 2.87Å; R176-C180 PolarHBondContact O-SG 3.45Å; R176-C180 VanDerWaalsContact O-SG 3.37Å; C180-R184 WeakPolarHBondContact O-CB 3.47Å; C180-R184 WeakPolarHBondContact O-CG 3.48Å; C180-R184 PolarHBondContact O-N 2.98Å |
| 181 | N | 73 | Confident | 65.7 | Low | 87 Ų | 87 | 97.8 Ų | 97.8 | 47% | 0.465 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 174.6 | -76.5 | -7.1 | 0 | 0 | 0 | 111.3 | K177 A178 L179 R184 M185 | K177-N181 WeakPolarHBondContact O-CB 3.5Å; K177-N181 VanDerWaalsContact O-CG 3.26Å; K177-N181 PolarHBondContact O-N 3.46Å; A178-N181 PolarHBondContact O-N 3.35Å; L179-N181 VanDerWaalsContact C-N 3.33Å; L179-N181 PolarHBondContact O-N 2.97Å; N181-R184 PolarHBondContact O-N 2.96Å; N181-M185 WeakPolarHBondContact O-CB 3.46Å; N181-M185 VanDerWaalsContact O-CG 3.31Å; N181-M185 WeakPolarHBondContact O-CG 3.49Å; N181-M185 PolarHBondContact O-N 3.47Å |
| 182 | W | 73 | Confident | 64.9 | Low | 178 Ų | 178 | 104.3 Ų | 104.3 | 67% | 0.674 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 176.2 | -177.1 | 77.6 | 0 | 0 | 0 | 112.2 | A178 L179 R184 M185 A186 | A178-W182 WeakPolarHBondContact O-CB 3.39Å; A178-W182 PolarHBondContact O-N 3.25Å; L179-W182 PolarHBondContact O-N 2.94Å; W182-R184 VanDerWaalsContact C-N 3.3Å; W182-R184 PolarHBondContact O-N 3.46Å; W182-M185 PolarHBondContact O-N 3.43Å; W182-A186 WeakPolarHBondContact O-CB 3.44Å; W182-A186 PolarHBondContact O-N 3.25Å |
| 183 | V | 72.6 | Confident | 64 | Low | 82 Ų | 82 | 106.1 Ų | 106.1 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.4 | -38.1 | 174.6 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L179 A187 | L179-V183 WeakPolarHBondContact O-CB 3.43Å; L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.38Å; L179-V183 PolarHBondContact O-N 2.95Å; V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.46Å; V183-A187 PolarHBondContact O-N 3.28Å |
| 184 | R | 70.2 | Confident | 63.4 | Low | 191 Ų | 191 | 104.1 Ų | 104.1 | 72% | 0.721 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.8 | -42 | 173.7 | -87.9 | -177.9 | 142.5 | 166.8 | -5.1 | 112.8 | C180 N181 W182 A187 A188 | C180-R184 WeakPolarHBondContact O-CB 3.47Å; C180-R184 WeakPolarHBondContact O-CG 3.48Å; C180-R184 PolarHBondContact O-N 2.98Å; N181-R184 PolarHBondContact O-N 2.96Å; W182-R184 VanDerWaalsContact C-N 3.3Å; W182-R184 PolarHBondContact O-N 3.46Å; R184-A187 PolarHBondContact O-N 3.42Å; R184-A188 WeakPolarHBondContact O-CB 3.48Å; R184-A188 PolarHBondContact O-N 3.03Å |
| 185 | M | 66.6 | Low | 62.8 | Low | 123 Ų | 123 | 103.3 Ų | 103.3 | 61% | 0.606 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.4 | -47.1 | 176.8 | -74.8 | -60.2 | -60.6 | 0 | 0 | 111.2 | N181 W182 A187 A188 E189 | N181-M185 WeakPolarHBondContact O-CB 3.46Å; N181-M185 VanDerWaalsContact O-CG 3.31Å; N181-M185 WeakPolarHBondContact O-CG 3.49Å; N181-M185 PolarHBondContact O-N 3.47Å; W182-M185 PolarHBondContact O-N 3.43Å; M185-A187 VanDerWaalsContact C-N 3.29Å; M185-A187 PolarHBondContact O-N 3.27Å; M185-A188 CarbonylContact O-C 3.52Å; M185-A188 WeakPolarHBondContact O-CA 3.31Å; M185-A188 WeakPolarHBondContact O-CB 3.48Å; M185-A188 PolarHBondContact O-N 3.4Å; M185-E189 VanDerWaalsContact O-CB 3.3Å; M185-E189 WeakPolarHBondContact O-CB 3.45Å; M185-E189 PolarHBondContact O-N 2.98Å |
| 186 | A | 64.1 | Low | 62.1 | Low | 30 Ų | 30 | 108.3 Ų | 108.3 | 25% | 0.248 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -61.3 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | W182 H190 | W182-A186 WeakPolarHBondContact O-CB 3.44Å; W182-A186 PolarHBondContact O-N 3.25Å; A186-H190 WeakPolarHBondContact O-CB 3.44Å; A186-H190 PolarHBondContact O-N 3.22Å |
| 187 | A | 60.5 | Low | 61 | Low | 46 Ų | 46 | 109.1 Ų | 109.1 | 38% | 0.38 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.4 | -33.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V183 R184 M185 R191 | V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.46Å; V183-A187 PolarHBondContact O-N 3.28Å; R184-A187 PolarHBondContact O-N 3.42Å; M185-A187 VanDerWaalsContact C-N 3.29Å; M185-A187 PolarHBondContact O-N 3.27Å; A187-R191 WeakPolarHBondContact O-CG 3.18Å; A187-R191 PolarHBondContact O-N 2.91Å |
| 188 | A | 60.7 | Low | 59.7 | Low | 30 Ų | 30 | 111 Ų | 111 | 25% | 0.248 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -72.2 | -37.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R184 M185 R191 H192 | R184-A188 WeakPolarHBondContact O-CB 3.48Å; R184-A188 PolarHBondContact O-N 3.03Å; M185-A188 CarbonylContact O-C 3.52Å; M185-A188 WeakPolarHBondContact O-CA 3.31Å; M185-A188 WeakPolarHBondContact O-CB 3.48Å; M185-A188 PolarHBondContact O-N 3.4Å; A188-R191 WeakPolarHBondContact O-CA 3.34Å; A188-R191 VanDerWaalsContact O-CB 3.29Å; A188-R191 WeakPolarHBondContact O-CB 3.4Å; A188-R191 PolarHBondContact O-N 3.24Å; A188-R191 VanDerWaalsContact O-N 3.09Å; A188-H192 PolarHBondContact O-CD2 3.45Å; A188-H192 PolarHBondContact O-N 3.47Å |
| 189 | E | 55.9 | Low | 58.5 | Low | 143 Ų | 143 | 119 Ų | 119 | 67% | 0.668 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.2 | -41.2 | 177.6 | -164.8 | 167.5 | -168.3 | 0 | 0 | 111 | M185 R191 H192 S193 | M185-E189 VanDerWaalsContact O-CB 3.3Å; M185-E189 WeakPolarHBondContact O-CB 3.45Å; M185-E189 PolarHBondContact O-N 2.98Å; E189-R191 PolarHBondContact O-N 2.9Å; E189-H192 PolarHBondContact O-N 3.26Å; E189-S193 PolarHBondContact O-N 2.97Å |
| 190 | H | 51.7 | Low | 57.6 | Low | 149 Ų | 149 | 117.9 Ų | 117.9 | 69% | 0.69 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.5 | -30.4 | 167.8 | -107.2 | -72.6 | 0 | 0 | 0 | 113.2 | A186 S194 | A186-H190 WeakPolarHBondContact O-CB 3.44Å; A186-H190 PolarHBondContact O-N 3.22Å; H190-S194 PolarHBondContact O-N 2.94Å; H190-S194 PolarHBondContact O-OG 3.45Å |
| 191 | R | 49.7 | Very low | 56.5 | Low | 185 Ų | 185 | 124.7 Ų | 124.7 | 70% | 0.698 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.6 | -29.8 | 177.5 | -76.7 | 168.3 | -174.2 | 178.3 | -1.5 | 113.5 | A187 A188 E189 | A187-R191 WeakPolarHBondContact O-CG 3.18Å; A187-R191 PolarHBondContact O-N 2.91Å; A188-R191 WeakPolarHBondContact O-CA 3.34Å; A188-R191 VanDerWaalsContact O-CB 3.29Å; A188-R191 WeakPolarHBondContact O-CB 3.4Å; A188-R191 PolarHBondContact O-N 3.24Å; A188-R191 VanDerWaalsContact O-N 3.09Å; E189-R191 PolarHBondContact O-N 2.9Å |
| 192 | H | 50.7 | Low | 55.3 | Low | 165 Ų | 165 | 124.8 Ų | 124.8 | 76% | 0.764 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.8 | -25.4 | 178.9 | -70.5 | -63.6 | 0 | 0 | 0 | 112.9 | A188 E189 | A188-H192 PolarHBondContact O-CD2 3.45Å; A188-H192 PolarHBondContact O-N 3.47Å; E189-H192 PolarHBondContact O-N 3.26Å |
| 193 | S | 52.6 | Low | 54.5 | Low | 112 Ų | 112 | 120.6 Ų | 120.6 | 78% | 0.783 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -87.4 | -19.7 | -179.6 | -156.9 | 0 | 0 | 0 | 0 | 113.8 | E189 | E189-S193 PolarHBondContact O-N 2.97Å |
| 194 | S | 54.7 | Low | 53.6 | Low | 62 Ų | 62 | 120.7 Ų | 120.7 | 43% | 0.434 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -87.2 | -10.4 | -173.6 | 60.8 | 0 | 0 | 0 | 0 | 116 | H190 L196 | H190-S194 PolarHBondContact O-N 2.94Å; H190-S194 PolarHBondContact O-OG 3.45Å; S194-L196 WeakPolarHBondContact O-CG 3.46Å; S194-L196 PolarHBondContact O-N 3.39Å |
| 195 | G | 54.8 | Low | 52.7 | Low | 75 Ų | 75 | 118.3 Ų | 118.3 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | trans | 56.3 | 11.3 | 175 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 196 | L | 50.3 | Low | 52 | Low | 139 Ų | 139 | 115.1 Ų | 115.1 | 73% | 0.728 | 61% | 0.608 | S | S | * | * | trans | -92.6 | 133.3 | -172.8 | -82.1 | 164.1 | 0 | 0 | 0 | 111.2 | S194 Y198 | S194-L196 WeakPolarHBondContact O-CG 3.46Å; S194-L196 PolarHBondContact O-N 3.39Å; L196-Y198 PolarHBondContact O-N 3.3Å | ||
| 197 | P | 44.5 | Very low | 51.6 | Low | 107 Ų | 107 | 118 Ų | 118 | 70% | 0.695 | 62% | 0.619 | S | S | * | * | trans | -64.6 | 134.9 | 178.9 | 24.6 | -30.6 | 0 | 0 | 0 | 110.9 | W199 | P197-W199 PolarHBondContact O-N 3.31Å; P197-W199 VanDerWaalsContact O-N 3.15Å | ||
| 198 | Y | 42.8 | Very low | 51.3 | Low | 193 Ų | 193 | 123.3 Ų | 123.3 | 76% | 0.757 | 63% | 0.633 | S | S | * | * | trans | -55.4 | 110.7 | 179.9 | 173.3 | -106.9 | 0 | 0 | 0 | 111.8 | L196 P200 | L196-Y198 PolarHBondContact O-N 3.3Å; Y198-P200 HydrophobicContact CD1-CG 4.18Å; Y198-P200 HydrophobicContact CE1-CB 3.64Å; Y198-P200 HydrophobicContact CE1-CG 3.6Å; Y198-P200 HydrophobicContact CE2-CB 4.39Å; Y198-P200 WeakPolarHBondContact OH-CB 3.27Å | ||
| 199 | W | 45.1 | Very low | 51.2 | Low | 230 Ų | 230 | 127 Ų | 127 | 87% | 0.871 | 65% | 0.649 | S | S | * | * | trans | -96.6 | 108.7 | 156.7 | -87.4 | 88.8 | 0 | 0 | 0 | 108 | P197 Y201 | P197-W199 PolarHBondContact O-N 3.31Å; P197-W199 VanDerWaalsContact O-N 3.15Å; W199-Y201 PolarHBondContact O-N 3.37Å; W199-Y201 VanDerWaalsContact O-N 3.11Å | ||
| 200 | P | 48.2 | Very low | 51.2 | Low | 67 Ų | 67 | 129.1 Ų | 129.1 | 44% | 0.435 | 65% | 0.651 | S | S | . | * | trans | -59.6 | 122.6 | 173.4 | 13 | -14 | 0 | 0 | 0 | 107.9 | Y198 L202 | Y198-P200 HydrophobicContact CD1-CG 4.18Å; Y198-P200 HydrophobicContact CE1-CB 3.64Å; Y198-P200 HydrophobicContact CE1-CG 3.6Å; Y198-P200 HydrophobicContact CE2-CB 4.39Å; Y198-P200 WeakPolarHBondContact OH-CB 3.27Å; P200-L202 PolarHBondContact O-N 3.45Å | ||
| 201 | Y | 45.4 | Very low | 51.3 | Low | 224 Ų | 224 | 129 Ų | 129 | 88% | 0.878 | 65% | 0.652 | S | S | * | * | trans | -49.7 | 110.2 | 162.2 | -138.4 | -95.3 | 0 | 0 | 0 | 106.2 | W199 T203 | W199-Y201 PolarHBondContact O-N 3.37Å; W199-Y201 VanDerWaalsContact O-N 3.11Å; Y201-T203 PolarHBondContact O-N 2.85Å | ||
| 202 | L | 48.1 | Very low | 51.5 | Low | 89 Ų | 89 | 123.2 Ų | 123.2 | 47% | 0.466 | 65% | 0.65 | S | S | . | * | trans | -54.2 | 109.3 | 173.3 | -82.6 | 158.3 | 0 | 0 | 0 | 106.5 | P200 T206 | P200-L202 PolarHBondContact O-N 3.45Å; L202-T206 HydrophobicContact CD2-CG2 3.57Å | ||
| 203 | T | 56.6 | Low | 51.7 | Low | 91 Ų | 91 | 123 Ų | 123 | 56% | 0.558 | 65% | 0.649 | S | S | * | * | trans | -54.4 | 143.7 | 176.9 | -25.1 | 0 | 0 | 0 | 0 | 107.5 | Y201 E205 T206 L207 | Y201-T203 PolarHBondContact O-N 2.85Å; T203-E205 PolarHBondContact O-N 3.29Å; T203-T206 PolarHBondContact O-N 3.33Å; T203-T206 PolarHBondContact O-OG1 2.85Å; T203-L207 PolarHBondContact O-N 2.96Å | ||
| 204 | A | 52.3 | Low | 52 | Low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -52.9 | -26.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L207 K208 | A204-L207 PolarHBondContact O-N 2.86Å; A204-K208 WeakPolarHBondContact O-CB 3.47Å; A204-K208 PolarHBondContact O-N 2.84Å |
| 205 | E | 52.3 | Low | 52.2 | Low | 142 Ų | 142 | 128.7 Ų | 128.7 | 66% | 0.664 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -52.7 | -48.1 | 167.9 | -131.8 | 94.2 | -144.4 | 0 | 0 | 113.4 | T203 K208 N209 | T203-E205 PolarHBondContact O-N 3.29Å; E205-K208 PolarHBondContact O-N 2.62Å; E205-N209 PolarHBondContact O-N 3.17Å; E205-N209 VanDerWaalsContact O-N 3.13Å |
| 206 | T | 51.5 | Low | 52.5 | Low | 55 Ų | 55 | 130.6 Ų | 130.6 | 34% | 0.337 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -72.6 | -32.7 | -175.7 | -29.5 | 0 | 0 | 0 | 0 | 111.8 | L202 T203 R210 | L202-T206 HydrophobicContact CD2-CG2 3.57Å; T203-T206 PolarHBondContact O-N 3.33Å; T203-T206 PolarHBondContact O-OG1 2.85Å; T206-R210 PolarHBondContact O-N 3.48Å |
| 207 | L | 54.8 | Low | 53 | Low | 91 Ų | 91 | 129.3 Ų | 129.3 | 48% | 0.476 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -70.7 | -35.9 | 174.2 | -121.2 | 153.5 | 0 | 0 | 0 | 111.4 | T203 A204 R210 M211 | T203-L207 PolarHBondContact O-N 2.96Å; A204-L207 PolarHBondContact O-N 2.86Å; L207-R210 PolarHBondContact O-N 3.41Å; L207-M211 HydrophobicContact CB-CE 4.46Å; L207-M211 HydrophobicContact CD2-CE 3.65Å; L207-M211 WeakPolarHBondContact O-CE 3.46Å; L207-M211 PolarHBondContact O-N 3.36Å |
| 208 | K | 55.5 | Low | 53.3 | Low | 157 Ų | 157 | 130 Ų | 130 | 68% | 0.683 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.6 | -40 | 176.5 | -164.6 | -179.6 | 174.7 | -170.6 | 0 | 112.2 | A204 E205 R210 M211 G212 | A204-K208 WeakPolarHBondContact O-CB 3.47Å; A204-K208 PolarHBondContact O-N 2.84Å; E205-K208 PolarHBondContact O-N 2.62Å; K208-R210 VanDerWaalsContact C-N 3.3Å; K208-R210 PolarHBondContact O-N 3.05Å; K208-M211 PolarHBondContact O-N 3.41Å; K208-G212 PolarHBondContact O-N 3.22Å |
| 209 | N | 57.3 | Low | 53.9 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 58% | 0.578 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.9 | -26.9 | 177.6 | -67.4 | -16.2 | 0 | 0 | 0 | 113.2 | E205 H213 | E205-N209 PolarHBondContact O-N 3.17Å; E205-N209 VanDerWaalsContact O-N 3.13Å; N209-H213 PolarHBondContact O-ND1 2.95Å |
| 210 | R | 56.4 | Low | 54.2 | Low | 188 Ų | 188 | 125.4 Ų | 125.4 | 71% | 0.709 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -80.1 | -29.8 | 174.7 | -76 | -172 | 176.7 | -176.1 | -0.4 | 114 | T206 L207 K208 G212 | T206-R210 PolarHBondContact O-N 3.48Å; L207-R210 PolarHBondContact O-N 3.41Å; K208-R210 VanDerWaalsContact C-N 3.3Å; K208-R210 PolarHBondContact O-N 3.05Å; R210-G212 VanDerWaalsContact C-N 3.32Å |
| 211 | M | 54.1 | Low | 54.4 | Low | 146 Ų | 146 | 134.7 Ų | 134.7 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -80.5 | -10.4 | 176.4 | -77.5 | -174.9 | -78.1 | 0 | 0 | 113.9 | L207 K208 | L207-M211 HydrophobicContact CB-CE 4.46Å; L207-M211 HydrophobicContact CD2-CE 3.65Å; L207-M211 WeakPolarHBondContact O-CE 3.46Å; L207-M211 PolarHBondContact O-N 3.36Å; K208-M211 PolarHBondContact O-N 3.41Å |
| 212 | G | 52.7 | Low | 54.9 | Low | 64 Ų | 64 | 130.3 Ų | 130.3 | 66% | 0.66 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -5.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | K208 R210 | K208-G212 PolarHBondContact O-N 3.22Å; R210-G212 VanDerWaalsContact C-N 3.32Å |
| 213 | H | 55.6 | Low | 55.2 | Low | 160 Ų | 160 | 132.4 Ų | 132.4 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | -94.9 | 109.3 | 178.4 | -75.1 | 76.7 | 0 | 0 | 0 | 110 | N209 | N209-H213 PolarHBondContact O-ND1 2.95Š| ||
| 214 | Q | 58.2 | Low | 55.1 | Low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 140.1 | 162.9 | -82 | -168.4 | -5.9 | 0 | 0 | 109.3 | ||
| 215 | P | 58.9 | Low | 55.3 | Low | 112 Ų | 112 | 137.8 Ų | 137.8 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142.7 | 168.9 | 27 | -31.2 | 0 | 0 | 0 | 109.6 | ||
| 216 | P | 61 | Low | 55.5 | Low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 146.2 | 179.1 | 26 | -32.9 | 0 | 0 | 0 | 110.6 | ||
| 217 | P | 62.7 | Low | 55.8 | Low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 146 | -178.5 | 26.3 | -32.9 | 0 | 0 | 0 | 111 | T219 | P217-T219 PolarHBondContact O-N 3.11Š|
| 218 | P | 49.7 | Very low | 55.8 | Low | 122 Ų | 122 | 146.7 Ų | 146.7 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 125.6 | -179.8 | 26.2 | -32.4 | 0 | 0 | 0 | 110.3 | Q220 | P218-Q220 PolarHBondContact O-N 3.28Š|
| 219 | T | 55.3 | Low | 55.9 | Low | 136 Ų | 136 | 145.9 Ų | 145.9 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 120.6 | 172.6 | -41 | 0 | 0 | 0 | 0 | 108.7 | P217 | P217-T219 PolarHBondContact O-N 3.11Š|
| 220 | Q | 52.7 | Low | 55.7 | Low | 190 Ų | 190 | 149.1 Ų | 149.1 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 127.9 | 170.1 | -68.6 | -155.5 | 0.4 | 0 | 0 | 109.2 | P218 | P218-Q220 PolarHBondContact O-N 3.28Š|
| 221 | Q | 51.7 | Low | 55.7 | Low | 263 Ų | 263 | 145.5 Ų | 145.5 | 100% | 1.229 | 81% | 0.81 | S | S | * | * | trans | -97.9 | 0 | 158.9 | -74.9 | -173.7 | -23.7 | 0 | 0 | 108.4 |
Retrieved 221 of 221 residues in 54.1 ms
(Link to these results)